#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5u n SER 34 N 0.00 0.00 0.00 -1.34 3.41 -1.26 0.47 113.62 114.90 3g5u n SER 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3g5u n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3g5u n SER 34 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g5u n VAL 35 N 0.00 0.00 0.00 -3.33 0.24 -1.26 -1.33 118.33 112.65 3g5u n VAL 35 Ca 0.00 1.20 -0.17 0.00 -2.04 0.00 0.00 64.34 63.33 3g5u n VAL 35 Cb 0.00 -1.97 -0.11 0.00 -1.47 0.00 0.00 33.84 30.29 3g5u n VAL 35 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3g5u h LEU 36 N 0.00 0.52 0.14 1.34 8.10 -0.41 -2.16 115.31 122.84 3g5u h LEU 36 Ca 0.00 -0.76 -0.01 0.00 0.11 0.00 0.00 57.88 57.23 3g5u h LEU 36 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.06 3g5u h LEU 36 CO 0.00 1.21 -0.07 0.74 -4.11 0.00 0.00 178.44 176.21 3g5u h THR 37 N -0.12 0.81 -0.31 0.15 2.02 -0.11 -0.16 112.91 115.19 3g5u h THR 37 Ca -0.07 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 65.96 3g5u h THR 37 Cb 1.29 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 3g5u h THR 37 CO 0.11 0.22 -0.09 -0.03 0.37 0.00 0.00 175.52 176.10 3g5u h MET 38 N -0.91 -0.03 -0.96 6.66 4.05 -1.36 2.62 114.93 125.01 3g5u h MET 38 Ca -0.02 0.00 0.29 0.00 -0.28 0.00 0.00 59.70 59.69 3g5u h MET 38 Cb 0.51 0.01 -0.17 0.00 -0.80 0.00 0.00 31.60 31.14 3g5u h MET 38 CO 0.03 -0.02 0.17 0.35 0.23 0.00 0.00 176.91 177.67 3g5u h PHE 39 N -0.03 0.20 -2.34 1.39 3.04 -0.51 -1.10 116.94 117.59 3g5u h PHE 39 Ca 0.15 0.06 -0.69 0.00 3.98 0.00 0.00 57.97 61.48 3g5u h PHE 39 Cb 0.26 0.07 -0.36 0.00 2.56 0.00 0.00 35.95 38.48 3g5u h PHE 39 CO -0.31 -0.39 0.06 0.54 -2.02 0.00 0.00 178.31 176.19 3g5u n ARG 40 N -5.39 3.95 0.00 1.11 1.74 0.87 -5.02 116.66 113.92 3g5u n ARG 40 Ca 0.25 -4.74 0.00 0.00 -0.77 0.00 0.00 57.85 52.60 3g5u n ARG 40 Cb 0.84 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3g5u n ARG 40 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3g5u n TYR 41 N 0.19 0.00 -3.10 -1.55 4.11 -0.22 -4.83 117.16 111.77 3g5u n TYR 41 Ca 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 58.25 3g5u n TYR 41 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.69 3g5u n TYR 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g5u n ALA 42 N -3.00 -1.50 0.00 -3.48 0.00 -1.26 -5.02 120.51 106.25 3g5u n ALA 42 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3g5u n ALA 42 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3g5u n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5u n GLY 43 N 2.02 -0.12 0.00 0.00 0.00 -1.26 -4.79 105.19 101.04 3g5u n GLY 43 Ca -0.01 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3g5u n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3g5u n TRP 44 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -2.03 117.44 115.76 3g5u n TRP 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3g5u n TRP 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3g5u n TRP 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3g5u n LEU 45 N 0.00 0.00 0.00 5.87 7.99 -1.26 -1.56 117.00 128.04 3g5u n LEU 45 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 3g5u n LEU 45 Cb 0.00 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 3g5u n LEU 45 CO 0.00 -0.11 0.03 0.47 -1.51 0.00 0.00 177.39 176.27 3g5u n ASP 46 N -1.10 0.00 -0.31 -1.43 10.43 -1.26 -1.91 116.55 120.97 3g5u n ASP 46 Ca 0.00 0.25 0.30 0.00 2.57 0.00 0.00 54.79 57.91 3g5u n ASP 46 Cb 0.00 -0.21 0.56 0.00 1.84 0.00 0.00 41.12 43.31 3g5u n ASP 46 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3g5u n ARG 47 N -1.12 -0.06 0.03 -1.24 0.63 -0.60 0.30 116.66 114.61 3g5u n ARG 47 Ca 0.00 1.33 -0.12 0.00 -0.92 0.00 0.00 57.85 58.14 3g5u n ARG 47 Cb 0.00 -2.38 -0.09 0.00 0.45 0.00 0.00 32.46 30.45 3g5u n ARG 47 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3g5u h LEU 48 N 0.00 -0.13 -1.91 6.15 3.38 -1.53 -0.78 115.31 120.48 3g5u h LEU 48 Ca 0.81 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 58.46 3g5u h LEU 48 Cb 2.14 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.90 3g5u h LEU 48 CO -0.74 0.42 0.30 0.22 0.09 0.00 0.00 178.44 178.73 3g5u h TYR 49 N -0.75 0.10 0.43 1.13 3.20 0.51 -2.02 116.97 119.58 3g5u h TYR 49 Ca -0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3g5u h TYR 49 Cb 0.55 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3g5u h TYR 49 CO 0.10 0.05 -0.21 1.98 -1.64 0.00 0.00 178.16 178.44 3g5u h MET 50 N 0.10 -0.55 -0.94 1.82 4.05 0.18 -1.66 114.93 117.93 3g5u h MET 50 Ca 0.20 0.04 0.23 0.00 -0.28 0.00 0.00 59.70 59.89 3g5u h MET 50 Cb 0.68 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.54 3g5u h MET 50 CO -0.02 -0.37 0.63 -0.07 0.23 0.00 0.00 176.91 177.31 3g5u h LEU 51 N -0.58 0.34 0.04 3.39 3.38 -0.89 -1.23 115.31 119.75 3g5u h LEU 51 Ca -0.06 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g5u h LEU 51 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3g5u h LEU 51 CO 0.10 0.12 -0.03 0.58 0.09 0.00 0.00 178.44 179.29 3g5u h VAL 52 N 0.33 0.00 -1.20 1.22 2.07 -1.11 -1.69 116.25 115.86 3g5u h VAL 52 Ca 0.49 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.35 3g5u h VAL 52 Cb 1.35 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3g5u h VAL 52 CO -0.17 0.00 0.84 1.23 0.02 0.00 0.00 177.57 179.49 3g5u h GLY 53 N -0.06 0.39 0.95 2.17 0.00 -0.33 0.22 103.07 106.41 3g5u h GLY 53 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3g5u h GLY 53 CO -0.00 -0.06 -0.49 -0.84 0.00 0.00 0.00 176.54 175.14 3g5u h THR 54 N 0.10 0.00 -0.98 4.70 2.02 -0.74 -1.88 112.91 116.13 3g5u h THR 54 Ca 0.61 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.89 3g5u h THR 54 Cb 2.19 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.47 3g5u h THR 54 CO -0.11 0.00 -0.56 0.25 0.37 0.00 0.00 175.52 175.47 3g5u h LEU 55 N -1.32 -2.06 -0.98 2.58 5.85 0.33 0.65 115.31 120.36 3g5u h LEU 55 Ca -0.13 0.32 0.27 0.00 0.84 0.00 0.00 57.88 59.19 3g5u h LEU 55 Cb 1.03 0.93 -0.14 0.00 0.37 0.00 0.00 40.66 42.85 3g5u h LEU 55 CO 0.19 -0.24 0.54 0.00 -0.34 0.00 0.00 178.44 178.59 3g5u h ALA 56 N 0.60 1.79 0.17 1.25 0.00 -1.12 0.61 119.26 122.56 3g5u h ALA 56 Ca 0.18 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3g5u h ALA 56 Cb 0.44 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3g5u h ALA 56 CO -0.93 -0.41 -0.25 0.00 0.00 0.00 0.00 179.25 177.66 3g5u h ALA 57 N 1.78 -0.46 -1.20 0.00 0.00 0.11 -1.20 119.26 118.29 3g5u h ALA 57 Ca 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3g5u h ALA 57 Cb 1.38 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3g5u h ALA 57 CO -0.54 -0.80 0.00 -0.89 0.00 0.00 0.00 179.25 177.02 3g5u n ILE 58 N -5.37 0.00 -0.37 0.00 -0.00 0.21 -1.28 119.36 112.54 3g5u n ILE 58 Ca -0.07 1.30 0.29 0.00 -0.00 0.00 0.00 62.75 64.27 3g5u n ILE 58 Cb 0.28 -1.92 0.56 0.00 -0.00 0.00 0.00 39.64 38.56 3g5u n ILE 58 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 3g5u h ILE 59 N 0.00 0.24 0.39 1.39 3.07 -1.38 0.65 117.51 121.87 3g5u h ILE 59 Ca 0.00 -0.07 -0.01 0.00 1.55 0.00 0.00 64.86 66.33 3g5u h ILE 59 Cb 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 36.54 3g5u h ILE 59 CO 0.00 0.04 -0.34 -0.74 -1.05 0.00 0.00 178.15 176.06 3g5u h HIS 60 N 0.21 -0.92 -0.48 0.16 2.76 0.10 -1.47 115.15 115.52 3g5u h HIS 60 Ca 0.76 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 59.00 3g5u h HIS 60 Cb 2.04 0.35 -0.06 0.00 1.55 0.00 0.00 27.41 31.29 3g5u h HIS 60 CO -0.01 -0.49 0.12 0.78 -1.30 0.00 0.00 177.93 177.03 3g5u h GLY 61 N -0.75 0.60 0.73 5.26 0.00 -0.05 1.56 103.07 110.42 3g5u h GLY 61 Ca -0.03 -0.05 0.16 0.00 0.00 0.00 0.00 47.33 47.40 3g5u h GLY 61 CO -0.03 -0.03 0.48 -2.08 0.00 0.00 0.00 176.54 174.88 3g5u h VAL 62 N 0.27 0.47 0.38 4.60 2.07 -1.14 0.22 116.25 123.11 3g5u h VAL 62 Ca 0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 3g5u h VAL 62 Cb 0.29 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3g5u h VAL 62 CO -0.28 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.13 3g5u h ALA 63 N 1.54 -0.50 -0.58 1.67 0.00 0.33 -2.14 119.26 119.57 3g5u h ALA 63 Ca 0.26 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3g5u h ALA 63 Cb 1.22 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 3g5u h ALA 63 CO -0.00 -0.76 -0.01 -0.07 0.00 0.00 0.00 179.25 178.41 3g5u h LEU 64 N -0.55 -0.28 -0.23 0.00 -0.00 -0.67 -1.39 115.31 112.20 3g5u h LEU 64 Ca -0.05 0.15 -0.09 0.00 -0.00 0.00 0.00 57.88 57.89 3g5u h LEU 64 Cb 0.42 0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 3g5u h LEU 64 CO 0.08 -0.11 -0.42 1.55 -0.00 0.00 0.00 178.44 179.55 3g5u h PRO 65 N 0.11 0.00 -0.38 1.13 0.13 -1.45 -2.64 132.00 128.90 3g5u h PRO 65 Ca 0.30 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.46 3g5u h PRO 65 Cb 0.48 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 3g5u h PRO 65 CO -0.51 0.42 0.17 -0.07 -0.23 0.00 0.00 178.00 177.79 3g5u h LEU 66 N 0.00 0.24 -0.87 1.56 3.38 -0.84 0.12 115.31 118.90 3g5u h LEU 66 Ca -0.00 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.17 3g5u h LEU 66 Cb 1.23 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 3g5u h LEU 66 CO 0.05 0.18 0.43 -0.03 0.09 0.00 0.00 178.44 179.17 3g5u h MET 67 N 0.36 0.54 0.38 1.13 4.05 -1.20 -1.42 114.93 118.76 3g5u h MET 67 Ca 0.16 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3g5u h MET 67 Cb 0.09 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 3g5u h MET 67 CO -0.13 0.35 -0.27 0.52 0.23 0.00 0.00 176.91 177.62 3g5u h MET 68 N 0.55 -0.59 -0.91 0.39 2.86 -0.41 -1.68 114.93 115.13 3g5u h MET 68 Ca 0.50 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.30 3g5u h MET 68 Cb 0.82 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.48 3g5u h MET 68 CO -0.42 -0.40 -0.43 -0.11 1.06 0.00 0.00 176.91 176.61 3g5u n LEU 69 N -3.97 -0.74 -0.14 1.22 7.94 -0.62 0.96 117.00 121.65 3g5u n LEU 69 Ca -0.08 1.60 -0.03 0.00 -1.11 0.00 0.00 56.01 56.40 3g5u n LEU 69 Cb 0.26 -0.30 0.05 0.00 0.53 0.00 0.00 43.42 43.96 3g5u n LEU 69 CO 0.17 -1.39 0.87 0.40 -1.11 0.00 0.00 177.39 176.33 3g5u h ILE 70 N 0.00 0.68 -1.11 1.96 2.04 -1.32 1.47 117.51 121.23 3g5u h ILE 70 Ca 0.25 -0.05 0.31 0.00 1.00 0.00 0.00 64.86 66.37 3g5u h ILE 70 Cb 0.48 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3g5u h ILE 70 CO -0.89 0.03 0.75 0.15 0.00 0.00 0.00 178.15 178.19 3g5u h PHE 71 N 0.15 0.42 0.44 1.37 3.04 0.16 -1.73 116.94 120.78 3g5u h PHE 71 Ca 0.23 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.17 3g5u h PHE 71 Cb 0.32 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3g5u h PHE 71 CO -0.27 0.02 -0.21 0.78 -2.02 0.00 0.00 178.31 176.61 3g5u h GLY 72 N 0.23 -0.61 0.29 2.40 0.00 0.30 -1.72 103.07 103.95 3g5u h GLY 72 Ca 0.60 0.23 0.22 0.00 0.00 0.00 0.00 47.33 48.39 3g5u h GLY 72 CO -0.21 -0.22 0.60 -0.55 0.00 0.00 0.00 176.54 176.16 3g5u h ASP 73 N -0.76 0.23 -0.23 0.19 3.45 -0.64 0.79 116.42 119.45 3g5u h ASP 73 Ca -0.06 0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 3g5u h ASP 73 Cb 0.45 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 3g5u h ASP 73 CO 0.10 0.09 -0.12 0.00 -1.57 0.00 0.00 179.24 177.73 3g5u h MET 74 N 0.23 0.49 -0.81 3.56 -0.00 -1.37 -2.04 114.93 114.99 3g5u h MET 74 Ca 0.45 -0.22 -0.02 0.00 -0.00 0.00 0.00 59.70 59.91 3g5u h MET 74 Cb 1.38 -0.01 -0.04 0.00 -0.00 0.00 0.00 31.60 32.93 3g5u h MET 74 CO -0.11 0.77 0.44 1.15 -0.00 0.00 0.00 176.91 179.16 3g5u h THR 75 N 0.20 1.24 0.77 -0.10 2.02 0.13 -1.49 112.91 115.68 3g5u h THR 75 Ca 0.05 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 3g5u h THR 75 Cb 0.63 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3g5u h THR 75 CO 0.04 0.27 -0.37 0.44 0.37 0.00 0.00 175.52 176.27 3g5u h ASP 76 N 1.13 -0.87 -1.13 4.18 3.32 0.00 0.22 116.42 123.26 3g5u h ASP 76 Ca 0.28 0.02 0.33 0.00 0.02 0.00 0.00 57.03 57.68 3g5u h ASP 76 Cb 0.04 0.23 -0.11 0.00 0.22 0.00 0.00 39.33 39.71 3g5u h ASP 76 CO -0.04 -0.60 0.73 0.28 -1.72 0.00 0.00 179.24 177.88 3g5u h SER 77 N -1.06 0.37 -0.15 6.45 0.02 -1.24 1.09 113.55 119.02 3g5u h SER 77 Ca -0.11 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3g5u h SER 77 Cb 0.80 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3g5u h SER 77 CO 0.17 -0.01 0.06 0.15 -1.14 0.00 0.00 176.83 176.06 3g5u h PHE 78 N 0.28 0.29 -0.00 3.45 3.57 0.06 -2.13 116.94 122.46 3g5u h PHE 78 Ca 0.67 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.13 3g5u h PHE 78 Cb 1.88 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.53 3g5u h PHE 78 CO -0.00 0.26 -0.13 0.00 -2.23 0.00 0.00 178.31 176.21 3g5u h ALA 79 N 1.77 0.02 -0.80 2.41 0.00 0.30 -2.48 119.26 120.48 3g5u h ALA 79 Ca 0.07 -0.43 0.13 0.00 0.00 0.00 0.00 54.91 54.69 3g5u h ALA 79 Cb 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3g5u h ALA 79 CO -0.00 -0.01 0.39 0.77 0.00 0.00 0.00 179.25 180.40 3g5u h SER 80 N -0.62 0.47 0.12 0.00 0.02 -1.11 0.73 113.55 113.16 3g5u h SER 80 Ca -0.02 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3g5u h SER 80 Cb 0.89 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3g5u h SER 80 CO 0.03 0.22 -0.42 0.58 -1.14 0.00 0.00 176.83 176.10 3g5u h VAL 81 N 0.60 1.31 0.00 2.27 2.07 -1.47 -2.22 116.25 118.81 3g5u h VAL 81 Ca 0.42 -1.57 -0.15 0.00 0.82 0.00 0.00 66.70 66.22 3g5u h VAL 81 Cb 0.56 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3g5u h VAL 81 CO -0.34 0.48 -0.70 1.23 0.02 0.00 0.00 177.57 178.26 3g5u h GLY 82 N 1.17 0.00 0.79 2.17 0.00 -0.66 -1.86 103.07 104.67 3g5u h GLY 82 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3g5u h GLY 82 CO 0.07 0.00 -0.22 -0.57 0.00 0.00 0.00 176.54 175.82 3g5u h ASN 83 N 0.00 -0.52 0.53 0.19 -0.00 0.60 0.26 115.58 116.63 3g5u h ASN 83 Ca -0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 56.30 56.19 3g5u h ASN 83 Cb 1.41 0.13 -0.00 0.00 -0.00 0.00 0.00 38.32 39.86 3g5u h ASN 83 CO 0.09 -0.21 -0.12 0.58 -0.00 0.00 0.00 177.43 177.77 3g5u h VAL 84 N -0.83 0.46 -0.70 2.57 2.07 -1.48 0.12 116.25 118.45 3g5u h VAL 84 Ca -0.06 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3g5u h VAL 84 Cb 0.56 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3g5u h VAL 84 CO 0.10 0.12 0.15 0.28 0.02 0.00 0.00 177.57 178.24 3g5u h SER 85 N 0.00 1.08 -0.42 0.57 0.02 -0.77 0.13 113.55 114.16 3g5u h SER 85 Ca -0.00 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3g5u h SER 85 Cb 0.42 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3g5u h SER 85 CO 0.02 1.05 0.18 0.50 -1.14 0.00 0.00 176.83 177.43 3g5u h LYS 86 N 1.07 0.61 0.74 3.45 1.63 0.20 -3.04 116.57 121.23 3g5u h LYS 86 Ca 0.22 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 3g5u h LYS 86 Cb 0.40 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3g5u h LYS 86 CO 0.01 0.55 -0.40 -0.97 -3.45 0.00 0.00 179.45 175.19 3g5u h ASN 87 N 0.53 -0.97 0.00 4.20 -0.00 -0.66 -3.45 115.58 115.23 3g5u h ASN 87 Ca 0.14 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 3g5u h ASN 87 Cb 0.16 0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.74 3g5u h ASN 87 CO -0.01 -0.64 0.00 -0.24 -0.00 0.00 0.00 177.43 176.53 3g5u n SER 88 N -4.94 0.00 0.00 1.15 2.88 0.41 -4.61 113.62 108.51 3g5u n SER 88 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 3g5u n SER 88 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3g5u n SER 88 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3g5u n THR 89 N 0.00 0.00 -2.44 2.46 -2.24 -1.26 -4.73 114.28 106.07 3g5u n THR 89 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3g5u n THR 89 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3g5u n THR 89 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g5u n ASN 90 N 1.42 0.24 -4.50 3.42 3.02 -1.26 -5.04 115.26 112.55 3g5u n ASN 90 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 3g5u n ASN 90 Cb 0.17 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.17 3g5u n ASN 90 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3g5u n MET 91 N 0.00 0.03 0.33 3.52 0.00 -1.26 -4.81 117.12 114.93 3g5u n MET 91 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 57.70 57.52 3g5u n MET 91 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 33.22 31.73 3g5u n MET 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3g5u h SER 92 N 11.85 -0.94 -0.97 3.17 0.87 -1.96 -2.99 113.55 122.58 3g5u h SER 92 Ca -0.02 0.06 0.20 0.00 -1.23 0.00 0.00 61.79 60.80 3g5u h SER 92 Cb 1.25 0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 63.40 3g5u h SER 92 CO 1.46 -0.57 0.62 1.05 -0.53 0.00 0.00 176.83 178.85 3g5u h GLU 93 N -0.91 0.56 0.00 2.24 9.09 -2.00 0.41 114.58 123.97 3g5u h GLU 93 Ca -0.07 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.31 3g5u h GLU 93 Cb 0.74 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 3g5u h GLU 93 CO 0.06 0.37 0.00 0.00 0.05 0.00 0.00 179.01 179.49 3g5u n ALA 94 N -2.43 1.89 -0.00 1.06 0.00 -1.14 -1.78 120.51 118.11 3g5u n ALA 94 Ca 0.22 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 3g5u n ALA 94 Cb 0.66 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 3g5u n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g5u n ASP 95 N -1.45 2.11 -0.02 0.00 8.00 0.14 -1.47 116.55 123.86 3g5u n ASP 95 Ca 0.06 0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.76 3g5u n ASP 95 Cb 0.20 -0.83 0.34 0.00 -0.02 0.00 0.00 41.12 40.81 3g5u n ASP 95 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3g5u h LYS 96 N 0.07 0.56 0.02 -1.24 1.57 -0.79 0.05 116.57 116.81 3g5u h LYS 96 Ca -0.43 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3g5u h LYS 96 Cb 2.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.24 3g5u h LYS 96 CO 0.08 0.49 -0.01 0.00 -0.57 0.00 0.00 179.45 179.44 3g5u h ARG 97 N 0.56 -0.03 -1.00 3.15 3.08 -1.46 -1.86 114.38 116.82 3g5u h ARG 97 Ca 0.13 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.27 3g5u h ARG 97 Cb 0.16 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 3g5u h ARG 97 CO -0.01 0.66 0.64 0.00 -1.07 0.00 0.00 179.97 180.19 3g5u h ALA 98 N -0.21 1.42 0.33 0.04 0.00 -1.22 -1.37 119.26 118.24 3g5u h ALA 98 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3g5u h ALA 98 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3g5u h ALA 98 CO 0.00 0.36 -0.16 0.52 0.00 0.00 0.00 179.25 179.98 3g5u h MET 99 N 1.10 -0.42 -0.01 0.00 2.86 -1.08 -2.13 114.93 115.25 3g5u h MET 99 Ca 0.45 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 3g5u h MET 99 Cb 0.28 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 3g5u h MET 99 CO -0.20 -0.28 0.20 0.35 1.06 0.00 0.00 176.91 178.04 3g5u h PHE 100 N -1.03 0.00 0.00 -0.22 3.04 -1.34 0.27 116.94 117.66 3g5u h PHE 100 Ca -0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.91 3g5u h PHE 100 Cb 0.33 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.84 3g5u h PHE 100 CO 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.30 3g5u n ALA 101 N -1.98 -0.32 0.32 2.41 0.00 -0.52 -1.68 120.51 118.74 3g5u n ALA 101 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.63 3g5u n ALA 101 Cb 0.26 0.00 1.05 0.00 0.00 0.00 0.00 19.45 20.76 3g5u n ALA 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3g5u h LYS 102 N 0.00 0.00 0.05 0.00 1.79 -0.65 -1.33 116.57 116.43 3g5u h LYS 102 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3g5u h LYS 102 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3g5u h LYS 102 CO 0.00 0.00 -0.02 1.25 -1.08 0.00 0.00 179.45 179.60 3g5u h LEU 103 N 0.00 -0.06 -1.02 2.94 5.85 -0.47 -1.78 115.31 120.77 3g5u h LEU 103 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3g5u h LEU 103 Cb 0.16 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3g5u h LEU 103 CO 0.00 -0.02 0.65 1.05 -0.34 0.00 0.00 178.44 179.78 3g5u h GLU 104 N -0.10 1.19 0.14 1.25 4.11 -1.35 -1.87 114.58 117.94 3g5u h GLU 104 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3g5u h GLU 104 Cb 0.05 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3g5u h GLU 104 CO 0.01 0.79 -0.27 1.49 0.07 0.00 0.00 179.01 181.10 3g5u h GLU 105 N 1.22 -0.42 0.00 1.06 4.22 -1.31 0.20 114.58 119.56 3g5u h GLU 105 Ca 0.41 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.88 3g5u h GLU 105 Cb 0.08 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3g5u h GLU 105 CO -0.15 -0.28 0.00 -1.91 -2.18 0.00 0.00 179.01 174.49 3g5u n GLU 106 N -3.98 0.06 0.02 1.92 4.07 -0.67 -1.18 120.64 120.89 3g5u n GLU 106 Ca -0.05 0.36 -0.08 0.00 -0.06 0.00 0.00 57.16 57.33 3g5u n GLU 106 Cb 0.22 -1.63 0.08 0.00 -0.06 0.00 0.00 31.44 30.05 3g5u n GLU 106 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 3g5u h MET 107 N 0.00 0.48 -0.09 5.31 4.05 -0.22 0.58 114.93 125.04 3g5u h MET 107 Ca 0.00 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.09 3g5u h MET 107 Cb 0.23 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3g5u h MET 107 CO 0.00 0.90 -0.09 1.15 0.23 0.00 0.00 176.91 179.10 3g5u h THR 108 N 0.37 1.37 -0.89 -0.77 2.02 0.47 -2.20 112.91 113.28 3g5u h THR 108 Ca 0.01 -1.25 0.09 0.00 0.77 0.00 0.00 66.41 66.02 3g5u h THR 108 Cb 1.07 2.01 -0.07 0.00 -1.74 0.00 0.00 68.15 69.42 3g5u h THR 108 CO 0.10 0.35 0.54 0.74 0.37 0.00 0.00 175.52 177.62 3g5u h THR 109 N -0.21 0.97 0.22 3.16 2.02 -0.74 -1.36 112.91 116.96 3g5u h THR 109 Ca 0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3g5u h THR 109 Cb 0.61 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3g5u h THR 109 CO 0.02 0.17 -0.11 1.88 0.37 0.00 0.00 175.52 177.86 3g5u h TYR 110 N 0.92 -0.27 -0.30 3.16 0.05 0.17 -1.11 116.97 119.59 3g5u h TYR 110 Ca 0.42 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.23 3g5u h TYR 110 Cb 0.32 0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.09 3g5u h TYR 110 CO -0.03 -0.12 -0.41 0.00 -1.05 0.00 0.00 178.16 176.54 3g5u h ALA 111 N 0.42 -0.66 0.00 3.88 0.00 -0.63 0.18 119.26 122.45 3g5u h ALA 111 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g5u h ALA 111 Cb 0.27 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3g5u h ALA 111 CO 0.05 -0.85 0.05 1.88 0.00 0.00 0.00 179.25 180.38 3g5u h TYR 112 N -0.29 0.00 0.00 0.00 0.99 -1.17 -1.24 116.97 115.26 3g5u h TYR 112 Ca 0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3g5u h TYR 112 Cb 0.44 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.16 3g5u h TYR 112 CO -0.69 0.00 -0.21 -0.92 -0.00 0.00 0.00 178.16 176.34 3g5u h TYR 113 N 0.00 0.00 -0.71 4.88 3.20 0.64 -1.93 116.97 123.05 3g5u h TYR 113 Ca 0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 3g5u h TYR 113 Cb 0.11 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3g5u h TYR 113 CO 0.00 0.30 0.47 0.10 -1.64 0.00 0.00 178.16 177.39 3g5u h TYR 114 N -1.00 0.70 0.00 -3.82 -0.00 -1.11 -2.04 116.97 109.70 3g5u h TYR 114 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 3g5u h TYR 114 Cb 0.40 -0.23 0.00 0.00 -0.00 0.00 0.00 36.73 36.90 3g5u h TYR 114 CO 0.01 0.36 0.00 2.41 -0.00 0.00 0.00 178.16 180.94 3g5u n THR 115 N -4.48 0.00 -0.03 -0.90 -1.04 -0.48 0.13 114.28 107.46 3g5u n THR 115 Ca 0.11 0.30 -0.01 0.00 -2.04 0.00 0.00 64.05 62.41 3g5u n THR 115 Cb 0.27 -1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 67.52 3g5u n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g5u n GLY 116 N 0.00 -0.21 0.06 3.41 0.00 -0.73 -0.10 105.19 107.61 3g5u n GLY 116 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3g5u n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g5u h ILE 117 N 0.00 0.00 -0.23 -0.61 1.08 -1.44 -1.95 117.51 114.36 3g5u h ILE 117 Ca 0.01 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3g5u h ILE 117 Cb 0.03 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.75 3g5u h ILE 117 CO -0.07 0.00 -0.13 0.61 -0.69 0.00 0.00 178.15 177.86 3g5u n GLY 118 N -0.40 -2.58 0.28 5.37 0.00 0.34 0.11 105.19 108.31 3g5u n GLY 118 Ca -0.02 0.64 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 3g5u n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u h ALA 119 N -0.52 0.08 -0.16 4.61 0.00 -1.47 -1.40 119.26 120.39 3g5u h ALA 119 Ca 0.04 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3g5u h ALA 119 Cb 0.09 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3g5u h ALA 119 CO -0.21 -0.58 -0.10 0.41 0.00 0.00 0.00 179.25 178.77 3g5u n GLY 120 N -1.41 -2.74 0.38 0.00 0.00 0.29 -1.58 105.19 100.14 3g5u n GLY 120 Ca 0.03 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 3g5u n GLY 120 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3g5u h VAL 121 N 0.00 0.23 -0.96 1.61 -1.51 0.55 -1.53 116.25 114.63 3g5u h VAL 121 Ca 0.03 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.60 3g5u h VAL 121 Cb 0.07 0.23 -0.13 0.00 -2.13 0.00 0.00 31.29 29.33 3g5u h VAL 121 CO -0.15 0.00 -0.55 0.25 -1.23 0.00 0.00 177.57 175.89 3g5u h LEU 122 N -0.62 -2.01 -0.07 4.19 5.85 -0.54 0.91 115.31 123.02 3g5u h LEU 122 Ca 0.02 0.32 0.03 0.00 0.84 0.00 0.00 57.88 59.10 3g5u h LEU 122 Cb 0.64 0.91 -0.04 0.00 0.37 0.00 0.00 40.66 42.54 3g5u h LEU 122 CO -0.21 -0.25 -0.15 0.40 -0.34 0.00 0.00 178.44 177.89 3g5u h ILE 123 N -0.02 0.62 0.00 4.05 1.08 -0.92 -2.48 117.51 119.83 3g5u h ILE 123 Ca 0.19 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.56 3g5u h ILE 123 Cb 0.46 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3g5u h ILE 123 CO -0.93 0.00 -0.46 -0.37 -0.69 0.00 0.00 178.15 175.70 3g5u h VAL 124 N -0.21 0.86 0.48 1.67 -1.51 -0.13 -2.42 116.25 114.99 3g5u h VAL 124 Ca 0.07 -2.00 -0.02 0.00 -1.23 0.00 0.00 66.70 63.52 3g5u h VAL 124 Cb 0.31 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3g5u h VAL 124 CO -0.19 0.45 -0.23 0.00 -1.23 0.00 0.00 177.57 176.37 3g5u h ALA 125 N 1.54 -0.64 -1.02 5.19 0.00 0.86 -1.44 119.26 123.74 3g5u h ALA 125 Ca -0.00 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.98 3g5u h ALA 125 Cb 1.23 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 3g5u h ALA 125 CO 0.06 -0.69 0.62 -0.92 0.00 0.00 0.00 179.25 178.32 3g5u h TYR 126 N -0.98 0.89 0.05 0.00 3.20 -1.51 -1.71 116.97 116.92 3g5u h TYR 126 Ca -0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3g5u h TYR 126 Cb 0.59 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3g5u h TYR 126 CO 0.01 0.05 -0.03 0.82 -1.64 0.00 0.00 178.16 177.37 3g5u h ILE 127 N 0.50 1.09 0.00 1.81 1.08 -1.13 -2.34 117.51 118.53 3g5u h ILE 127 Ca 0.64 -0.47 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 3g5u h ILE 127 Cb 1.36 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 36.51 3g5u h ILE 127 CO -0.43 0.12 -0.02 0.06 -0.69 0.00 0.00 178.15 177.19 3g5u h GLN 128 N -0.28 0.00 0.12 2.37 3.07 -0.38 -1.18 115.11 118.83 3g5u h GLN 128 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.46 3g5u h GLN 128 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 3g5u h GLN 128 CO 0.01 0.02 -1.24 0.28 0.09 0.00 0.00 178.83 177.99 3g5u h VAL 129 N 0.00 1.50 -0.00 1.86 2.07 -1.36 -2.45 116.25 117.87 3g5u h VAL 129 Ca -0.00 -3.08 0.00 0.00 0.82 0.00 0.00 66.70 64.44 3g5u h VAL 129 Cb 0.25 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3g5u h VAL 129 CO 0.00 0.90 0.00 0.28 0.02 0.00 0.00 177.57 178.77 3g5u h SER 130 N 0.07 0.00 0.13 0.57 0.02 -0.68 -0.14 113.55 113.51 3g5u h SER 130 Ca -0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3g5u h SER 130 Cb 1.96 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 3g5u h SER 130 CO 0.20 0.00 -0.08 0.15 -1.14 0.00 0.00 176.83 175.96 3g5u h PHE 131 N 0.00 -0.21 0.00 3.45 -0.00 -1.02 -2.46 116.94 116.71 3g5u h PHE 131 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3g5u h PHE 131 Cb 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.03 3g5u h PHE 131 CO 0.00 -0.12 0.00 1.87 -0.00 0.00 0.00 178.31 180.06 3g5u n TRP 132 N -2.65 0.00 0.37 0.41 -0.00 -0.10 -1.70 117.44 113.76 3g5u n TRP 132 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.33 3g5u n TRP 132 Cb 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.32 3g5u n TRP 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3g5u n LEU 134 N -5.04 -0.64 0.00 0.00 0.00 -0.92 0.10 117.00 110.50 3g5u n LEU 134 Ca -0.12 1.68 0.00 0.00 0.00 0.00 0.00 56.01 57.57 3g5u n LEU 134 Cb 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3g5u n LEU 134 CO 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 177.39 176.18 3g5u n ALA 135 N -3.49 0.00 -0.11 1.96 0.00 -0.69 -1.96 120.51 116.22 3g5u n ALA 135 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.61 3g5u n ALA 135 Cb 0.38 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.98 3g5u n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 136 N -3.00 0.26 -1.00 0.00 0.00 -0.67 -0.96 120.51 115.14 3g5u n ALA 136 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3g5u n ALA 136 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3g5u n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5u n GLY 137 N -1.13 -3.43 0.30 0.00 0.00 0.28 0.74 105.19 101.95 3g5u n GLY 137 Ca 0.10 0.51 0.08 0.00 0.00 0.00 0.00 46.02 46.72 3g5u n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g5u h ARG 138 N 0.00 0.52 -0.46 1.61 3.08 -0.38 0.10 114.38 118.86 3g5u h ARG 138 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.11 3g5u h ARG 138 Cb 0.00 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 29.85 3g5u h ARG 138 CO 0.00 0.34 -0.04 1.96 -1.07 0.00 0.00 179.97 181.16 3g5u h GLN 139 N 0.53 0.07 0.01 0.04 1.08 -1.10 -1.59 115.11 114.15 3g5u h GLN 139 Ca 0.47 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.67 3g5u h GLN 139 Cb 0.74 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3g5u h GLN 139 CO -0.41 0.05 -0.01 0.82 -0.95 0.00 0.00 178.83 178.33 3g5u h ILE 140 N 0.07 1.26 -0.97 2.54 1.08 0.22 -1.56 117.51 120.15 3g5u h ILE 140 Ca 0.23 -0.83 0.18 0.00 -0.39 0.00 0.00 64.86 64.04 3g5u h ILE 140 Cb 0.34 1.82 -0.17 0.00 -3.07 0.00 0.00 36.82 35.74 3g5u h ILE 140 CO -0.41 0.21 -0.30 1.57 -0.69 0.00 0.00 178.15 178.53 3g5u n HIS 141 N -4.93 0.21 0.21 1.37 -0.00 -0.49 0.13 115.22 111.72 3g5u n HIS 141 Ca -0.08 1.19 -0.14 0.00 0.46 0.00 0.00 57.72 59.15 3g5u n HIS 141 Cb 0.19 -0.98 -0.08 0.00 -0.12 0.00 0.00 29.99 29.01 3g5u n HIS 141 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 3g5u h LYS 142 N 0.00 -0.73 0.00 1.57 1.63 -1.23 -1.92 116.57 115.90 3g5u h LYS 142 Ca 0.41 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 3g5u h LYS 142 Cb 0.65 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3g5u h LYS 142 CO -0.99 -0.48 0.00 -0.89 -3.45 0.00 0.00 179.45 173.64 3g5u n ILE 143 N -4.78 0.00 -0.13 2.00 2.08 0.31 -1.78 119.36 117.06 3g5u n ILE 143 Ca -0.09 1.30 -0.03 0.00 0.56 0.00 0.00 62.75 64.49 3g5u n ILE 143 Cb 0.35 -1.90 -0.03 0.00 -0.75 0.00 0.00 39.64 37.31 3g5u n ILE 143 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3g5u n ARG 144 N -2.04 -0.13 -0.14 0.38 3.00 0.35 -0.23 116.66 117.85 3g5u n ARG 144 Ca 0.00 0.57 -0.08 0.00 -0.00 0.00 0.00 57.85 58.34 3g5u n ARG 144 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 32.46 31.62 3g5u n ARG 144 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3g5u h GLN 145 N 0.00 0.56 0.22 -0.14 4.20 -1.04 -1.65 115.11 117.26 3g5u h GLN 145 Ca 0.05 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3g5u h GLN 145 Cb 0.12 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3g5u h GLN 145 CO -0.29 0.39 -0.44 0.87 -0.67 0.00 0.00 178.83 178.70 3g5u h LYS 146 N 0.56 -0.71 -0.43 1.46 1.79 0.21 -1.46 116.57 117.99 3g5u h LYS 146 Ca 0.15 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.75 3g5u h LYS 146 Cb -0.03 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.71 3g5u h LYS 146 CO -0.03 -0.47 -0.01 0.35 -1.08 0.00 0.00 179.45 178.20 3g5u h PHE 147 N -0.74 -0.05 -0.33 -1.35 -0.00 -1.27 0.93 116.94 114.13 3g5u h PHE 147 Ca -0.00 0.03 0.04 0.00 -0.00 0.00 0.00 57.97 58.04 3g5u h PHE 147 Cb 0.72 0.09 -0.07 0.00 -0.00 0.00 0.00 35.95 36.69 3g5u h PHE 147 CO -0.33 -0.10 -0.48 0.74 -0.00 0.00 0.00 178.31 178.13 3g5u h PHE 148 N 0.10 -1.48 -0.14 0.41 -1.00 -0.90 0.95 116.94 114.88 3g5u h PHE 148 Ca 0.22 0.07 -0.03 0.00 2.81 0.00 0.00 57.97 61.04 3g5u h PHE 148 Cb 0.31 0.69 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 3g5u h PHE 148 CO -0.29 -0.43 -0.04 1.25 -1.61 0.00 0.00 178.31 177.18 3g5u h HIS 149 N -0.36 0.20 0.76 -0.55 -0.00 -0.97 -2.36 115.15 111.87 3g5u h HIS 149 Ca 0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 3g5u h HIS 149 Cb 0.52 -0.06 0.01 0.00 -0.00 0.00 0.00 27.41 27.88 3g5u h HIS 149 CO -0.70 0.26 -0.36 0.00 -0.00 0.00 0.00 177.93 177.12 3g5u h ALA 150 N 1.76 -1.17 -0.41 5.26 0.00 0.38 -2.32 119.26 122.75 3g5u h ALA 150 Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3g5u h ALA 150 Cb 0.22 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3g5u h ALA 150 CO 0.01 -1.10 -0.48 0.82 0.00 0.00 0.00 179.25 178.51 3g5u h ILE 151 N -1.10 0.00 0.00 0.00 1.08 0.10 0.35 117.51 117.94 3g5u h ILE 151 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3g5u h ILE 151 Cb 0.78 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3g5u h ILE 151 CO 0.17 0.00 0.03 0.23 -0.69 0.00 0.00 178.15 177.89 3g5u n MET 152 N -4.94 0.00 -0.01 2.37 2.81 -0.91 -0.64 117.12 115.79 3g5u n MET 152 Ca -0.02 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3g5u n MET 152 Cb 0.28 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.22 3g5u n MET 152 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3g5u n ASN 153 N -0.91 3.83 0.21 7.83 4.05 0.12 -4.61 115.26 125.77 3g5u n ASN 153 Ca 0.00 0.00 0.13 0.00 0.45 0.00 0.00 54.58 55.16 3g5u n ASN 153 Cb 0.03 0.97 0.45 0.00 1.23 0.00 0.00 39.78 42.46 3g5u n ASN 153 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 3g5u h GLN 154 N 0.00 0.00 0.00 1.20 4.15 -0.06 -3.45 115.11 116.95 3g5u h GLN 154 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3g5u h GLN 154 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 3g5u h GLN 154 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.29 3g5u n GLU 155 N -2.92 0.00 -0.57 1.69 4.71 -1.26 -3.73 120.64 118.57 3g5u n GLU 155 Ca 0.04 0.00 0.44 0.00 -0.01 0.00 0.00 57.16 57.63 3g5u n GLU 155 Cb 0.82 0.00 0.68 0.00 -1.01 0.00 0.00 31.44 31.93 3g5u n GLU 155 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3g5u n ILE 156 N 0.00 0.00 -0.36 -3.67 -0.00 -1.26 0.20 119.36 114.27 3g5u n ILE 156 Ca 0.00 1.30 -0.00 0.00 -0.00 0.00 0.00 62.75 64.05 3g5u n ILE 156 Cb 0.00 -2.19 0.15 0.00 -0.00 0.00 0.00 39.64 37.60 3g5u n ILE 156 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3g5u h GLY 157 N 0.00 1.42 0.44 7.39 0.00 -1.95 0.69 103.07 111.06 3g5u h GLY 157 Ca 0.78 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3g5u h GLY 157 CO -0.01 0.44 0.00 1.87 0.00 0.00 0.00 176.54 178.84 3g5u n TRP 158 N -4.43 0.00 0.00 5.60 -0.00 0.53 0.95 117.44 120.09 3g5u n TRP 158 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 3g5u n TRP 158 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.39 3g5u n TRP 158 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3g5u n PHE 159 N -0.72 0.00 -0.34 5.87 7.35 0.72 -4.72 117.46 125.62 3g5u n PHE 159 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.85 3g5u n PHE 159 Cb 0.00 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.18 3g5u n PHE 159 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3g5u h ASP 160 N 0.00 0.65 0.00 -2.13 3.32 0.63 -3.45 116.42 115.44 3g5u h ASP 160 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3g5u h ASP 160 Cb 0.50 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3g5u h ASP 160 CO 0.00 0.13 0.00 1.33 -1.72 0.00 0.00 179.24 178.98 3g5u n VAL 161 N -4.88 0.00 -2.14 -1.35 0.24 0.80 -4.85 118.33 106.15 3g5u n VAL 161 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 3g5u n VAL 161 Cb 0.68 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 3g5u n VAL 161 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3g5u n HIS 162 N 0.00 -4.60 0.06 6.34 8.25 -1.26 -4.58 115.22 119.43 3g5u n HIS 162 Ca 0.00 2.77 0.03 0.00 -0.26 0.00 0.00 57.72 60.25 3g5u n HIS 162 Cb 0.00 -3.47 0.14 0.00 1.12 0.00 0.00 29.99 27.78 3g5u n HIS 162 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3g5u n ASP 163 N 1.93 0.13 0.00 0.41 9.92 -1.26 -4.70 116.55 122.98 3g5u n ASP 163 Ca 0.00 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 3g5u n ASP 163 Cb 0.00 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 3g5u n ASP 163 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3g5u n VAL 164 N -1.59 0.00 -0.07 2.53 0.31 -1.26 -3.85 118.33 114.40 3g5u n VAL 164 Ca -0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3g5u n VAL 164 Cb 0.23 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.14 3g5u n VAL 164 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g5u n GLY 165 N -0.94 -0.57 0.49 2.92 0.00 -1.26 -3.50 105.19 102.33 3g5u n GLY 165 Ca 0.00 -0.25 0.26 0.00 0.00 0.00 0.00 46.02 46.03 3g5u n GLY 165 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g5u h GLU 166 N -0.81 0.00 0.00 1.61 4.22 -1.94 -1.47 114.58 116.19 3g5u h GLU 166 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3g5u h GLU 166 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3g5u h GLU 166 CO 0.00 0.00 0.00 -0.11 -2.18 0.00 0.00 179.01 176.72 3g5u n LEU 167 N -3.42 1.09 -0.33 1.64 0.00 -1.25 -1.68 117.00 113.05 3g5u n LEU 167 Ca 0.18 0.40 0.24 0.00 0.00 0.00 0.00 56.01 56.83 3g5u n LEU 167 Cb 1.23 -0.21 0.46 0.00 0.00 0.00 0.00 43.42 44.90 3g5u n LEU 167 CO 0.25 -0.21 0.99 -0.55 0.00 0.00 0.00 177.39 177.88 3g5u h ASN 168 N 0.00 0.11 -0.39 1.96 -1.07 -1.33 1.92 115.58 116.78 3g5u h ASN 168 Ca 0.00 0.25 0.07 0.00 0.07 0.00 0.00 56.30 56.69 3g5u h ASN 168 Cb 0.00 0.30 -0.09 0.00 -2.07 0.00 0.00 38.32 36.46 3g5u h ASN 168 CO 0.00 -0.33 -0.42 0.74 0.07 0.00 0.00 177.43 177.49 3g5u h THR 169 N 0.08 0.13 -0.06 6.14 2.02 -1.47 0.24 112.91 119.99 3g5u h THR 169 Ca 0.73 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.89 3g5u h THR 169 Cb 1.76 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3g5u h THR 169 CO -0.77 0.00 -0.08 0.08 0.37 0.00 0.00 175.52 175.12 3g5u h ARG 170 N -0.33 0.08 -0.04 6.66 0.11 0.39 -1.58 114.38 119.68 3g5u h ARG 170 Ca 0.14 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.23 3g5u h ARG 170 Cb 0.58 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.59 3g5u h ARG 170 CO -0.56 0.17 -0.49 1.25 0.10 0.00 0.00 179.97 180.44 3g5u h LEU 171 N 0.08 -1.53 0.51 0.08 7.12 0.99 -1.19 115.31 121.37 3g5u h LEU 171 Ca 0.02 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 3g5u h LEU 171 Cb 0.20 0.58 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 3g5u h LEU 171 CO 0.01 -0.46 -0.24 0.74 -0.13 0.00 0.00 178.44 178.35 3g5u h THR 172 N -0.59 0.17 -0.74 1.05 2.02 -1.11 -2.05 112.91 111.66 3g5u h THR 172 Ca 0.02 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3g5u h THR 172 Cb 0.64 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 3g5u h THR 172 CO -0.35 0.03 -0.48 0.44 0.37 0.00 0.00 175.52 175.54 3g5u h ASP 173 N -1.11 -1.73 0.50 4.18 5.19 -1.31 -1.45 116.42 120.69 3g5u h ASP 173 Ca -0.07 0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 3g5u h ASP 173 Cb 0.58 0.76 0.00 0.00 0.18 0.00 0.00 39.33 40.85 3g5u h ASP 173 CO 0.11 -0.21 -0.24 0.44 -3.12 0.00 0.00 179.24 176.23 3g5u h ASP 174 N -0.05 -0.56 -0.99 6.45 3.45 -1.32 -1.82 116.42 121.57 3g5u h ASP 174 Ca 0.12 0.00 0.18 0.00 0.43 0.00 0.00 57.03 57.77 3g5u h ASP 174 Cb 0.36 0.15 -0.18 0.00 -0.56 0.00 0.00 39.33 39.09 3g5u h ASP 174 CO -0.72 -0.38 -0.29 1.62 -1.57 0.00 0.00 179.24 177.89 3g5u h VAL 175 N -0.70 0.01 0.12 -1.35 3.04 -0.92 0.28 116.25 116.72 3g5u h VAL 175 Ca -0.07 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 3g5u h VAL 175 Cb 0.53 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 3g5u h VAL 175 CO 0.11 0.00 -0.06 0.28 -1.01 0.00 0.00 177.57 176.90 3g5u h SER 176 N -0.00 -0.13 -0.81 3.17 0.02 -1.02 -2.05 113.55 112.72 3g5u h SER 176 Ca 0.43 -0.01 0.22 0.00 -0.84 0.00 0.00 61.79 61.60 3g5u h SER 176 Cb 0.68 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 3g5u h SER 176 CO -1.01 -0.08 0.58 0.11 -1.14 0.00 0.00 176.83 175.28 3g5u h LYS 177 N -0.17 0.08 0.81 3.45 1.57 0.38 0.66 116.57 123.35 3g5u h LYS 177 Ca -0.02 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3g5u h LYS 177 Cb 0.13 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.43 3g5u h LYS 177 CO 0.03 0.05 -0.39 0.82 -0.57 0.00 0.00 179.45 179.39 3g5u h ILE 178 N 0.08 0.18 -0.77 1.86 1.08 -0.60 -1.77 117.51 117.58 3g5u h ILE 178 Ca 0.39 -0.05 0.14 0.00 -0.39 0.00 0.00 64.86 64.96 3g5u h ILE 178 Cb 1.44 0.19 -0.14 0.00 -3.07 0.00 0.00 36.82 35.24 3g5u h ILE 178 CO -0.04 0.00 -0.28 -1.13 -0.69 0.00 0.00 178.15 176.01 3g5u h ASN 179 N -1.12 -1.02 -0.83 1.72 -0.73 0.71 0.40 115.58 114.71 3g5u h ASN 179 Ca -0.11 0.25 0.05 0.00 1.87 0.00 0.00 56.30 58.36 3g5u h ASN 179 Cb 0.84 0.58 -0.06 0.00 0.27 0.00 0.00 38.32 39.95 3g5u h ASN 179 CO 0.18 -0.28 0.52 -0.33 -0.37 0.00 0.00 177.43 177.15 3g5u h GLU 180 N -0.05 0.94 -0.86 6.67 5.08 -1.30 -1.98 114.58 123.08 3g5u h GLU 180 Ca 0.33 -0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.80 3g5u h GLU 180 Cb 0.58 -0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 3g5u h GLU 180 CO -0.81 0.62 0.43 0.78 -1.00 0.00 0.00 179.01 179.03 3g5u h GLY 181 N 0.97 1.42 0.34 -3.84 0.00 0.71 -2.51 103.07 100.17 3g5u h GLY 181 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3g5u h GLY 181 CO -0.15 -0.09 -0.12 -2.22 0.00 0.00 0.00 176.54 173.96 3g5u h ILE 182 N 0.58 0.45 0.00 2.60 1.08 -0.86 -2.78 117.51 118.57 3g5u h ILE 182 Ca 0.49 -0.92 -0.05 0.00 -0.39 0.00 0.00 64.86 63.98 3g5u h ILE 182 Cb 0.75 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3g5u h ILE 182 CO -0.40 0.12 -0.22 1.23 -0.69 0.00 0.00 178.15 178.19 3g5u h GLY 183 N -0.99 0.00 0.67 5.37 0.00 -1.53 -2.74 103.07 103.85 3g5u h GLY 183 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 3g5u h GLY 183 CO 0.05 0.00 -0.56 -0.55 0.00 0.00 0.00 176.54 175.49 3g5u h ASP 184 N 0.00 0.44 -1.01 0.19 3.32 -1.61 -2.96 116.42 114.79 3g5u h ASP 184 Ca -0.00 -0.81 0.30 0.00 0.02 0.00 0.00 57.03 56.54 3g5u h ASP 184 Cb 0.53 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 39.81 3g5u h ASP 184 CO 0.03 1.20 0.58 0.50 -1.72 0.00 0.00 179.24 179.83 3g5u h LYS 185 N -0.27 0.38 0.60 3.56 3.64 -1.20 1.79 116.57 125.06 3g5u h LYS 185 Ca -0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3g5u h LYS 185 Cb 1.31 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3g5u h LYS 185 CO 0.11 0.25 -0.43 -0.84 -2.27 0.00 0.00 179.45 176.26 3g5u h ILE 186 N 0.39 0.13 -0.75 2.00 -0.00 -1.48 -1.82 117.51 115.98 3g5u h ILE 186 Ca 0.71 0.00 0.11 0.00 -0.00 0.00 0.00 64.86 65.68 3g5u h ILE 186 Cb 1.57 0.13 -0.12 0.00 -0.00 0.00 0.00 36.82 38.40 3g5u h ILE 186 CO -0.57 0.00 -0.32 0.61 -0.00 0.00 0.00 178.15 177.87 3g5u n GLY 187 N -1.55 -1.62 0.00 0.16 0.00 0.60 -1.24 105.19 101.54 3g5u n GLY 187 Ca -0.13 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.74 3g5u n GLY 187 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3g5u n MET 188 N -5.08 0.00 -0.08 1.61 0.00 -0.68 -1.73 117.12 111.17 3g5u n MET 188 Ca 0.07 0.68 -0.02 0.00 -0.00 0.00 0.00 57.70 58.42 3g5u n MET 188 Cb 0.28 -1.42 -0.02 0.00 0.00 0.00 0.00 33.22 32.07 3g5u n MET 188 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3g5u n PHE 189 N -2.23 -0.09 -0.04 1.12 -0.00 -0.37 0.28 117.46 116.14 3g5u n PHE 189 Ca 0.00 0.24 -0.02 0.00 -0.00 0.00 0.00 57.45 57.68 3g5u n PHE 189 Cb 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 39.48 39.06 3g5u n PHE 189 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 3g5u h PHE 190 N 0.00 -0.23 -0.76 -5.13 3.57 -0.79 -0.53 116.94 113.07 3g5u h PHE 190 Ca 0.03 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3g5u h PHE 190 Cb 0.08 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3g5u h PHE 190 CO -0.28 -0.05 0.50 1.96 -2.23 0.00 0.00 178.31 178.21 3g5u h GLN 191 N -0.02 0.87 -0.79 1.11 1.08 0.50 0.12 115.11 117.97 3g5u h GLN 191 Ca 0.01 -0.05 0.19 0.00 -1.45 0.00 0.00 58.65 57.36 3g5u h GLN 191 Cb 0.06 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 27.25 3g5u h GLN 191 CO -0.10 0.57 0.54 0.00 -0.95 0.00 0.00 178.83 178.90 3g5u h ALA 192 N 1.57 2.41 0.00 3.87 0.00 0.24 -1.01 119.26 126.33 3g5u h ALA 192 Ca 0.31 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 3g5u h ALA 192 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3g5u h ALA 192 CO -0.09 -0.64 -1.41 0.52 0.00 0.00 0.00 179.25 177.63 3g5u h MET 193 N 0.22 0.00 -0.17 0.00 2.86 0.36 -1.50 114.93 116.70 3g5u h MET 193 Ca 0.39 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.91 3g5u h MET 193 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3g5u h MET 193 CO -0.08 0.30 -0.40 0.00 1.06 0.00 0.00 176.91 177.78 3g5u h ALA 194 N 1.41 0.99 0.05 6.32 0.00 -0.42 -1.55 119.26 126.05 3g5u h ALA 194 Ca -0.17 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3g5u h ALA 194 Cb 1.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3g5u h ALA 194 CO 0.05 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.89 3g5u h THR 195 N 0.33 1.24 0.13 0.00 1.03 -1.35 -1.98 112.91 112.32 3g5u h THR 195 Ca 0.03 -1.63 -0.00 0.00 -0.01 0.00 0.00 66.41 64.80 3g5u h THR 195 Cb 0.86 2.22 -0.01 0.00 -1.07 0.00 0.00 68.15 70.14 3g5u h THR 195 CO 0.07 0.37 -0.18 0.15 -0.01 0.00 0.00 175.52 175.92 3g5u h PHE 196 N -0.87 -0.51 -0.37 0.00 -0.00 -1.24 -1.17 116.94 112.78 3g5u h PHE 196 Ca -0.01 0.01 -0.06 0.00 -0.00 0.00 0.00 57.97 57.91 3g5u h PHE 196 Cb 0.66 0.20 -0.02 0.00 -0.00 0.00 0.00 35.95 36.80 3g5u h PHE 196 CO 0.16 -0.23 -0.01 0.74 -0.00 0.00 0.00 178.31 178.97 3g5u h PHE 197 N -0.32 0.61 0.00 0.41 0.04 -1.47 -1.71 116.94 114.50 3g5u h PHE 197 Ca -0.01 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3g5u h PHE 197 Cb 0.29 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3g5u h PHE 197 CO -0.21 0.60 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 3g5u n GLY 198 N -0.80 -2.69 0.33 -1.45 0.00 -0.74 0.16 105.19 100.00 3g5u n GLY 198 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.13 3g5u n GLY 198 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3g5u h GLY 199 N 0.00 0.00 0.00 -0.02 0.00 -1.27 -1.82 103.07 99.96 3g5u h GLY 199 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g5u h GLY 199 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.54 176.87 3g5u n PHE 200 N -2.61 0.00 0.00 5.60 7.35 -0.64 -2.02 117.46 125.14 3g5u n PHE 200 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3g5u n PHE 200 Cb 0.78 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.61 3g5u n PHE 200 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3g5u n ILE 201 N -0.17 0.00 -0.02 -2.13 -0.00 0.43 0.60 119.36 118.06 3g5u n ILE 201 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.59 3g5u n ILE 201 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.51 3g5u n ILE 201 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 3g5u h ILE 202 N 0.00 1.63 0.00 1.39 -0.00 -1.47 -1.69 117.51 117.37 3g5u h ILE 202 Ca 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 64.86 62.62 3g5u h ILE 202 Cb 0.00 3.10 0.00 0.00 -0.00 0.00 0.00 36.82 39.92 3g5u h ILE 202 CO 0.00 0.61 0.00 0.61 -0.00 0.00 0.00 178.15 179.37 3g5u n GLY 203 N 1.41 0.00 2.01 0.16 0.00 0.20 -2.15 105.19 106.82 3g5u n GLY 203 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3g5u n GLY 203 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g5u n PHE 204 N -0.71 -1.21 -0.28 1.61 7.35 -0.37 -4.72 117.46 119.13 3g5u n PHE 204 Ca 0.00 0.20 -0.04 0.00 -0.76 0.00 0.00 57.45 56.84 3g5u n PHE 204 Cb 0.00 0.73 -0.02 0.00 0.35 0.00 0.00 39.48 40.54 3g5u n PHE 204 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3g5u n THR 205 N -2.77 -0.42 -3.04 -2.13 -1.04 -0.63 -2.92 114.28 101.33 3g5u n THR 205 Ca 0.00 1.64 -0.43 0.00 -2.04 0.00 0.00 64.05 63.21 3g5u n THR 205 Cb 0.00 -2.09 -0.06 0.00 -1.82 0.00 0.00 70.33 66.36 3g5u n THR 205 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3g5u s ARG 206 N -5.50 3.21 0.00 -2.82 3.00 -0.91 -3.83 118.95 112.10 3g5u s ARG 206 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 55.73 55.00 3g5u s ARG 206 Cb 0.11 -4.07 0.00 0.00 0.00 0.00 0.00 34.95 30.98 3g5u s ARG 206 CO 0.46 -1.31 0.00 0.41 0.00 0.00 0.00 175.30 174.86 3g5u n GLY 207 N 5.15 3.16 4.88 -3.53 0.00 -1.24 -3.66 105.19 109.95 3g5u n GLY 207 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3g5u n GLY 207 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3g5u n TRP 208 N 0.00 0.00 -0.01 1.61 8.01 -1.15 0.16 117.44 126.06 3g5u n TRP 208 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3g5u n TRP 208 Cb 0.00 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 3g5u n TRP 208 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3g5u n LYS 209 N -0.01 0.00 0.03 -0.99 4.76 -1.26 -4.76 118.16 115.93 3g5u n LYS 209 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3g5u n LYS 209 Cb 0.00 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.05 3g5u n LYS 209 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3g5u h LEU 210 N 0.00 0.37 -0.80 -0.35 7.12 0.13 0.89 115.31 122.67 3g5u h LEU 210 Ca 0.00 -0.64 0.00 0.00 0.13 0.00 0.00 57.88 57.37 3g5u h LEU 210 Cb 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 3g5u h LEU 210 CO 0.00 1.56 0.00 1.07 -0.13 0.00 0.00 178.44 180.94 3g5u n THR 211 N -3.41 0.89 -0.01 1.05 5.66 -1.12 0.16 114.28 117.49 3g5u n THR 211 Ca -0.23 0.32 -0.06 0.00 -3.05 0.00 0.00 64.05 61.03 3g5u n THR 211 Cb 1.05 -1.26 -0.13 0.00 -1.55 0.00 0.00 70.33 68.44 3g5u n THR 211 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3g5u n LEU 212 N -2.20 0.84 -0.23 1.09 7.94 -0.87 -1.24 117.00 122.32 3g5u n LEU 212 Ca 0.01 0.39 -0.00 0.00 -1.11 0.00 0.00 56.01 55.30 3g5u n LEU 212 Cb 0.19 0.16 0.12 0.00 0.53 0.00 0.00 43.42 44.41 3g5u n LEU 212 CO 0.17 0.32 1.06 0.58 -1.11 0.00 0.00 177.39 178.42 3g5u h VAL 213 N 0.00 0.87 0.00 1.96 2.07 0.40 1.10 116.25 122.65 3g5u h VAL 213 Ca -0.26 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3g5u h VAL 213 Cb 1.90 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3g5u h VAL 213 CO 0.07 0.11 0.00 -0.38 0.02 0.00 0.00 177.57 177.38 3g5u n ILE 214 N -4.87 0.00 -0.11 4.57 5.41 0.33 -1.73 119.36 122.96 3g5u n ILE 214 Ca 0.09 0.88 -0.01 0.00 1.00 0.00 0.00 62.75 64.71 3g5u n ILE 214 Cb 0.24 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 3g5u n ILE 214 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3g5u n LEU 215 N -0.54 -0.21 0.00 1.39 4.77 -0.38 -0.37 117.00 121.66 3g5u n LEU 215 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3g5u n LEU 215 Cb 0.00 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3g5u n LEU 215 CO 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 177.39 175.63 3g5u n ALA 216 N -3.84 0.00 -0.35 -1.18 0.00 0.37 -1.84 120.51 113.68 3g5u n ALA 216 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 3g5u n ALA 216 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 3g5u n ALA 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3g5u n ILE 217 N 0.00 -0.55 0.00 0.00 -6.64 -0.71 -1.27 119.36 110.19 3g5u n ILE 217 Ca 0.00 2.00 0.00 0.00 -1.77 0.00 0.00 62.75 62.98 3g5u n ILE 217 Cb 0.00 -2.49 0.00 0.00 -1.44 0.00 0.00 39.64 35.71 3g5u n ILE 217 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3g5u n SER 218 N -5.05 0.00 -0.41 7.28 7.64 0.50 -0.53 113.62 123.05 3g5u n SER 218 Ca 0.02 0.22 0.37 0.00 1.01 0.00 0.00 58.87 60.50 3g5u n SER 218 Cb 0.23 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.00 3g5u n SER 218 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3g5u n PRO 219 N -0.33 0.01 -0.03 1.43 -0.02 -0.77 0.07 135.00 135.35 3g5u n PRO 219 Ca 0.00 1.00 -0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3g5u n PRO 219 Cb 0.00 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 30.98 3g5u n PRO 219 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g5u h VAL 220 N 0.00 1.46 0.20 -1.45 2.07 -0.43 -1.50 116.25 116.60 3g5u h VAL 220 Ca 0.65 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3g5u h VAL 220 Cb 3.15 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 35.29 3g5u h VAL 220 CO -0.01 0.44 -0.17 -0.07 0.02 0.00 0.00 177.57 177.78 3g5u h LEU 221 N -0.37 -0.44 -1.66 2.57 3.38 0.22 0.11 115.31 119.12 3g5u h LEU 221 Ca -0.01 0.04 0.39 0.00 0.09 0.00 0.00 57.88 58.39 3g5u h LEU 221 Cb 0.79 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 3g5u h LEU 221 CO 0.03 -0.26 0.90 1.23 0.09 0.00 0.00 178.44 180.43 3g5u h GLY 222 N -0.39 0.70 0.65 0.83 0.00 -1.13 0.15 103.07 103.88 3g5u h GLY 222 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3g5u h GLY 222 CO -0.02 -0.16 -0.16 1.41 0.00 0.00 0.00 176.54 177.61 3g5u h LEU 223 N 0.12 -0.38 -1.33 3.11 3.38 0.29 -0.62 115.31 119.89 3g5u h LEU 223 Ca 0.71 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.64 3g5u h LEU 223 Cb 2.43 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 43.21 3g5u h LEU 223 CO -0.21 0.00 0.55 0.77 0.09 0.00 0.00 178.44 179.64 3g5u h SER 224 N -0.80 0.64 0.59 -0.43 4.64 -0.09 -1.48 113.55 116.62 3g5u h SER 224 Ca -0.05 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3g5u h SER 224 Cb 0.52 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3g5u h SER 224 CO 0.07 0.35 -0.28 0.00 -0.87 0.00 0.00 176.83 176.10 3g5u h ALA 225 N 1.60 -1.17 -0.78 5.18 0.00 -1.13 -1.88 119.26 121.08 3g5u h ALA 225 Ca 0.41 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.28 3g5u h ALA 225 Cb 0.60 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 3g5u h ALA 225 CO -0.17 -1.11 -0.32 0.78 0.00 0.00 0.00 179.25 178.43 3g5u h GLY 226 N -0.82 0.14 0.00 0.00 0.00 -0.67 -1.75 103.07 99.97 3g5u h GLY 226 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3g5u h GLY 226 CO 0.13 -0.24 0.00 1.39 0.00 0.00 0.00 176.54 177.83 3g5u n ILE 227 N -5.47 0.00 -0.25 2.60 5.41 -0.60 -1.73 119.36 119.32 3g5u n ILE 227 Ca 0.08 1.07 -0.07 0.00 1.00 0.00 0.00 62.75 64.83 3g5u n ILE 227 Cb 0.39 -2.01 -0.02 0.00 -0.71 0.00 0.00 39.64 37.29 3g5u n ILE 227 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3g5u h TRP 228 N 0.00 -1.20 0.00 1.39 7.01 -1.36 1.05 115.95 122.84 3g5u h TRP 228 Ca 0.00 0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3g5u h TRP 228 Cb 0.00 0.62 -0.00 0.00 -2.10 0.00 0.00 29.16 27.68 3g5u h TRP 228 CO 0.06 -0.41 -0.02 0.00 -2.79 0.00 0.00 178.44 175.28 3g5u h ALA 229 N 0.83 -0.56 -0.87 2.65 0.00 -1.45 -0.29 119.26 119.58 3g5u h ALA 229 Ca 0.22 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.38 3g5u h ALA 229 Cb 0.56 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3g5u h ALA 229 CO -0.75 -0.56 0.65 0.87 0.00 0.00 0.00 179.25 179.46 3g5u h LYS 230 N -0.03 0.00 0.49 0.00 1.79 -0.50 0.04 116.57 118.36 3g5u h LYS 230 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3g5u h LYS 230 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3g5u h LYS 230 CO -0.01 0.00 -0.34 0.82 -1.08 0.00 0.00 179.45 178.83 3g5u h ILE 231 N 0.00 0.00 -0.81 1.86 2.04 0.27 -2.00 117.51 118.87 3g5u h ILE 231 Ca 0.41 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.36 3g5u h ILE 231 Cb 1.71 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3g5u h ILE 231 CO -0.00 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.61 3g5u h LEU 232 N -0.79 0.72 -0.71 1.44 -0.00 0.30 -2.03 115.31 114.24 3g5u h LEU 232 Ca -0.06 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 57.94 3g5u h LEU 232 Cb 0.65 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 41.09 3g5u h LEU 232 CO 0.04 0.45 0.31 0.28 -0.00 0.00 0.00 178.44 179.51 3g5u h SER 233 N 0.81 0.34 -0.12 -0.43 0.02 -0.65 0.97 113.55 114.48 3g5u h SER 233 Ca 0.37 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 3g5u h SER 233 Cb 0.36 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3g5u h SER 233 CO -0.14 0.17 0.05 0.77 -1.14 0.00 0.00 176.83 176.54 3g5u h SER 234 N 0.50 0.17 -1.04 3.07 4.64 -0.71 -1.42 113.55 118.75 3g5u h SER 234 Ca 0.37 -0.16 0.28 0.00 -0.47 0.00 0.00 61.79 61.81 3g5u h SER 234 Cb 0.48 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 62.41 3g5u h SER 234 CO -0.33 0.28 0.63 0.15 -0.87 0.00 0.00 176.83 176.69 3g5u h PHE 235 N 0.05 0.85 0.41 4.77 3.57 0.27 -0.09 116.94 126.76 3g5u h PHE 235 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3g5u h PHE 235 Cb 0.16 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3g5u h PHE 235 CO -0.02 0.01 -0.19 1.15 -2.23 0.00 0.00 178.31 177.03 3g5u h THR 236 N 0.45 0.57 -0.29 4.41 2.02 0.16 -2.40 112.91 117.84 3g5u h THR 236 Ca 0.65 -0.39 0.06 0.00 0.77 0.00 0.00 66.41 67.50 3g5u h THR 236 Cb 1.47 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 68.55 3g5u h THR 236 CO -0.43 0.07 -0.40 0.44 0.37 0.00 0.00 175.52 175.57 3g5u h ASP 237 N -0.78 -1.31 -0.71 4.18 3.45 -0.04 0.18 116.42 121.39 3g5u h ASP 237 Ca -0.06 0.19 0.14 0.00 0.43 0.00 0.00 57.03 57.74 3g5u h ASP 237 Cb 0.53 0.56 -0.13 0.00 -0.56 0.00 0.00 39.33 39.73 3g5u h ASP 237 CO 0.09 -0.38 -0.14 0.50 -1.57 0.00 0.00 179.24 177.74 3g5u h LYS 238 N -0.38 0.02 -0.45 3.56 3.11 -1.33 0.37 116.57 121.46 3g5u h LYS 238 Ca 0.12 -0.00 0.09 0.00 -2.81 0.00 0.00 60.65 58.05 3g5u h LYS 238 Cb 0.59 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.72 3g5u h LYS 238 CO -0.49 0.01 -0.18 0.93 -2.81 0.00 0.00 179.45 176.90 3g5u h GLU 239 N 0.02 -0.09 -0.68 1.90 4.39 -0.18 -1.10 114.58 118.83 3g5u h GLU 239 Ca 0.35 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.09 3g5u h GLU 239 Cb 0.54 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 3g5u h GLU 239 CO -0.71 -0.06 0.45 -0.07 -1.16 0.00 0.00 179.01 177.47 3g5u h LEU 240 N -0.09 0.69 0.28 1.33 3.38 0.12 -1.96 115.31 119.06 3g5u h LEU 240 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3g5u h LEU 240 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3g5u h LEU 240 CO -0.51 0.47 -0.13 0.45 0.09 0.00 0.00 178.44 178.81 3g5u h HIS 241 N 0.80 -0.35 -0.98 1.13 3.86 0.08 -0.67 115.15 119.02 3g5u h HIS 241 Ca 0.28 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.64 3g5u h HIS 241 Cb 0.11 0.12 -0.10 0.00 1.06 0.00 0.00 27.41 28.60 3g5u h HIS 241 CO -0.00 -0.09 0.59 0.00 0.86 0.00 0.00 177.93 179.29 3g5u h ALA 242 N 0.08 1.55 -0.01 2.45 0.00 -1.17 -0.05 119.26 122.11 3g5u h ALA 242 Ca -0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3g5u h ALA 242 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3g5u h ALA 242 CO 0.06 0.04 -0.19 -0.92 0.00 0.00 0.00 179.25 178.25 3g5u h TYR 243 N 0.82 -0.55 -0.88 0.00 -0.00 -0.82 -2.01 116.97 113.52 3g5u h TYR 243 Ca 0.53 0.02 0.19 0.00 -0.00 0.00 0.00 58.73 59.47 3g5u h TYR 243 Cb 0.71 0.24 -0.17 0.00 -0.00 0.00 0.00 36.73 37.52 3g5u h TYR 243 CO -0.02 -0.20 -0.16 0.00 -0.00 0.00 0.00 178.16 177.78 3g5u n ALA 244 N -2.68 0.27 0.03 1.82 0.00 -0.08 0.26 120.51 120.12 3g5u n ALA 244 Ca -0.02 0.96 -0.10 0.00 0.00 0.00 0.00 53.44 54.28 3g5u n ALA 244 Cb 0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 3g5u n ALA 244 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3g5u h LYS 245 N 0.00 -0.20 -0.71 0.00 1.63 -0.83 -0.60 116.57 115.86 3g5u h LYS 245 Ca 0.45 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.42 3g5u h LYS 245 Cb 0.75 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.39 3g5u h LYS 245 CO -0.89 -0.13 0.48 0.00 -3.45 0.00 0.00 179.45 175.46 3g5u h ALA 246 N 0.80 2.21 -0.13 5.00 0.00 0.49 -2.06 119.26 125.57 3g5u h ALA 246 Ca 0.07 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3g5u h ALA 246 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g5u h ALA 246 CO -0.18 -0.40 -0.39 0.78 0.00 0.00 0.00 179.25 179.05 3g5u h GLY 247 N 0.32 0.30 0.99 0.00 0.00 -0.13 -1.74 103.07 102.81 3g5u h GLY 247 Ca 0.35 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 3g5u h GLY 247 CO -0.09 0.25 -0.63 0.00 0.00 0.00 0.00 176.54 176.07 3g5u h ALA 248 N 1.36 0.22 0.00 3.60 0.00 -0.79 -2.00 119.26 121.66 3g5u h ALA 248 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3g5u h ALA 248 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3g5u h ALA 248 CO 0.06 0.50 0.00 0.28 0.00 0.00 0.00 179.25 180.09 3g5u n VAL 249 N -4.11 0.00 0.71 0.00 0.31 -1.05 0.66 118.33 114.85 3g5u n VAL 249 Ca -0.08 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.33 3g5u n VAL 249 Cb 0.67 -0.26 0.04 0.00 -0.91 0.00 0.00 33.84 33.38 3g5u n VAL 249 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5u n ALA 250 N -0.63 2.75 -0.17 3.52 0.00 -0.66 -4.39 120.51 120.93 3g5u n ALA 250 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3g5u n ALA 250 Cb 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3g5u n ALA 250 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3g5u n GLU 251 N 0.52 0.00 -1.30 0.00 -0.58 0.21 -4.64 120.64 114.86 3g5u n GLU 251 Ca 0.09 0.01 0.18 0.00 -0.42 0.00 0.00 57.16 57.01 3g5u n GLU 251 Cb 0.39 -0.43 -0.05 0.00 -0.57 0.00 0.00 31.44 30.78 3g5u n GLU 251 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3g5u n GLU 252 N -2.31 -2.62 -1.10 3.49 4.71 -1.16 -4.74 120.64 116.90 3g5u n GLU 252 Ca 0.00 1.74 -0.30 0.00 -0.01 0.00 0.00 57.16 58.59 3g5u n GLU 252 Cb 0.00 -3.19 0.13 0.00 -1.01 0.00 0.00 31.44 27.37 3g5u n GLU 252 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3g5u s VAL 253 N -2.16 2.75 0.00 2.62 1.01 -1.26 -4.94 120.40 118.42 3g5u s VAL 253 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3g5u s VAL 253 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3g5u s VAL 253 CO 0.00 -0.32 0.05 0.18 0.00 0.00 0.00 175.10 175.01 3g5u n LEU 254 N -3.89 0.00 0.00 3.92 7.99 -1.26 -5.10 117.00 118.66 3g5u n LEU 254 Ca 0.08 -0.51 0.00 0.00 -0.01 0.00 0.00 56.01 55.58 3g5u n LEU 254 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 3g5u n LEU 254 CO 0.54 0.50 0.00 0.00 -1.51 0.00 0.00 177.39 176.92 3g5u n ALA 255 N 0.00 0.00 -0.80 -1.18 0.00 -1.26 -4.60 120.51 112.67 3g5u n ALA 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 255 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3g5u n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 256 N -3.00 0.00 -0.33 0.00 0.00 -1.26 -4.85 120.51 111.07 3g5u n ALA 256 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 3g5u n ALA 256 Cb 0.00 -0.98 0.51 0.00 0.00 0.00 0.00 19.45 18.99 3g5u n ALA 256 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3g5u h ILE 257 N 0.00 0.00 -0.32 0.00 6.09 -1.95 0.30 117.51 121.64 3g5u h ILE 257 Ca 0.00 -0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 3g5u h ILE 257 Cb 0.38 -0.00 -0.08 0.00 0.47 0.00 0.00 36.82 37.59 3g5u h ILE 257 CO 0.00 0.00 -0.30 -0.09 -3.07 0.00 0.00 178.15 174.69 3g5u h ARG 258 N 0.00 -0.26 -0.95 2.19 2.43 -1.98 2.47 114.38 118.28 3g5u h ARG 258 Ca 0.79 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 60.01 3g5u h ARG 258 Cb 1.98 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 31.54 3g5u h ARG 258 CO -0.81 -0.17 0.62 1.15 -1.51 0.00 0.00 179.97 179.25 3g5u h THR 259 N -0.27 1.18 0.00 0.20 2.02 -0.83 0.20 112.91 115.41 3g5u h THR 259 Ca 0.15 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3g5u h THR 259 Cb 0.52 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3g5u h THR 259 CO -0.47 0.22 0.00 0.52 0.37 0.00 0.00 175.52 176.16 3g5u n VAL 260 N -4.43 0.33 0.08 3.16 0.31 0.20 -2.15 118.33 115.83 3g5u n VAL 260 Ca 0.12 -0.05 -0.17 0.00 -0.01 0.00 0.00 64.34 64.24 3g5u n VAL 260 Cb 0.09 -0.61 -0.14 0.00 -0.91 0.00 0.00 33.84 32.26 3g5u n VAL 260 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3g5u h ILE 261 N 0.00 1.32 0.00 2.52 1.08 0.59 -2.13 117.51 120.89 3g5u h ILE 261 Ca 0.00 -2.92 0.00 0.00 -0.39 0.00 0.00 64.86 61.55 3g5u h ILE 261 Cb 0.54 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 3g5u h ILE 261 CO 0.00 0.85 0.00 0.00 -0.69 0.00 0.00 178.15 178.31 3g5u n ALA 262 N -2.60 2.52 -0.10 1.87 0.00 -0.80 -3.07 120.51 118.33 3g5u n ALA 262 Ca -0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3g5u n ALA 262 Cb 1.04 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 3g5u n ALA 262 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g5u n PHE 263 N -0.59 0.00 0.00 0.00 7.35 -0.91 -5.01 117.46 118.30 3g5u n PHE 263 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 3g5u n PHE 263 Cb 0.02 -0.76 0.00 0.00 0.35 0.00 0.00 39.48 39.08 3g5u n PHE 263 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3g5u n GLY 264 N 2.08 1.25 0.00 7.13 0.00 -0.84 -4.30 105.19 110.50 3g5u n GLY 264 Ca -0.39 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3g5u n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLY 265 N 0.00 0.67 0.00 -0.02 0.00 -1.26 -4.84 105.19 99.74 3g5u n GLY 265 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3g5u n GLY 265 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g5u n GLN 266 N 0.00 0.00 0.00 1.61 1.13 -1.26 -4.74 117.38 114.12 3g5u n GLN 266 Ca 0.00 0.51 0.00 0.00 -1.94 0.00 0.00 57.00 55.57 3g5u n GLN 266 Cb 0.00 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.00 3g5u n GLN 266 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3g5u n LYS 267 N -1.83 0.00 0.00 -1.09 5.02 -1.26 -4.54 118.16 114.46 3g5u n LYS 267 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3g5u n LYS 267 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 3g5u n LYS 267 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3g5u n LYS 268 N -0.14 0.00 -0.37 1.97 0.00 -1.26 -4.18 118.16 114.18 3g5u n LYS 268 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.32 3g5u n LYS 268 Cb 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 35.03 34.56 3g5u n LYS 268 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3g5u n GLU 269 N -2.93 -0.18 0.15 1.64 1.02 -1.26 0.73 120.64 119.80 3g5u n GLU 269 Ca 0.00 1.52 -0.09 0.00 -0.02 0.00 0.00 57.16 58.57 3g5u n GLU 269 Cb 0.49 -2.27 -0.05 0.00 -0.02 0.00 0.00 31.44 29.59 3g5u n GLU 269 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 3g5u h LEU 270 N 0.00 -0.72 -0.51 -4.62 -0.00 -1.92 -2.48 115.31 105.05 3g5u h LEU 270 Ca 0.39 0.06 0.10 0.00 -0.00 0.00 0.00 57.88 58.43 3g5u h LEU 270 Cb 0.63 0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.44 3g5u h LEU 270 CO -0.99 -0.34 -0.09 -0.08 -0.00 0.00 0.00 178.44 176.93 3g5u h GLU 271 N -0.52 0.03 -0.02 0.17 4.22 -0.89 -2.21 114.58 115.37 3g5u h GLU 271 Ca -0.03 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3g5u h GLU 271 Cb 0.45 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3g5u h GLU 271 CO -0.04 0.02 -0.01 -0.09 -2.18 0.00 0.00 179.01 176.71 3g5u h ARG 272 N 0.03 -0.00 -0.59 1.92 9.65 0.55 -0.81 114.38 125.13 3g5u h ARG 272 Ca 0.25 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 3g5u h ARG 272 Cb 0.39 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 3g5u h ARG 272 CO -0.50 -0.00 0.27 1.88 2.80 0.00 0.00 179.97 184.41 3g5u h TYR 273 N -0.00 0.83 0.00 2.20 0.99 -1.43 -1.65 116.97 117.90 3g5u h TYR 273 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3g5u h TYR 273 Cb 0.01 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 37.48 3g5u h TYR 273 CO -0.79 0.62 0.00 0.09 -0.00 0.00 0.00 178.16 178.08 3g5u n ASN 274 N -4.35 0.00 0.15 3.88 5.03 -0.62 -2.31 115.26 117.04 3g5u n ASN 274 Ca 0.05 0.26 0.18 0.00 0.87 0.00 0.00 54.58 55.94 3g5u n ASN 274 Cb 0.14 0.00 0.69 0.00 -1.02 0.00 0.00 39.78 39.59 3g5u n ASN 274 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3g5u h ASN 275 N 0.00 0.00 0.00 6.41 4.21 -1.25 -2.06 115.58 122.90 3g5u h ASN 275 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3g5u h ASN 275 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3g5u h ASN 275 CO 0.00 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 172.94 3g5u n ASN 276 N -3.33 0.00 -0.23 5.81 2.85 -0.62 -1.66 115.26 118.08 3g5u n ASN 276 Ca 0.06 0.36 0.06 0.00 -0.11 0.00 0.00 54.58 54.95 3g5u n ASN 276 Cb 0.66 0.00 0.32 0.00 1.24 0.00 0.00 39.78 42.01 3g5u n ASN 276 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3g5u h LEU 277 N 0.00 0.73 0.44 1.20 -0.00 -1.39 -2.17 115.31 114.12 3g5u h LEU 277 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 3g5u h LEU 277 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 3g5u h LEU 277 CO 0.00 0.46 -0.24 -0.33 -0.00 0.00 0.00 178.44 178.33 3g5u h GLU 278 N 0.82 -0.60 -0.83 1.13 5.08 -1.47 -2.04 114.58 116.68 3g5u h GLU 278 Ca 0.35 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.85 3g5u h GLU 278 Cb 0.30 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 3g5u h GLU 278 CO -0.13 -0.40 -0.51 0.93 -1.00 0.00 0.00 179.01 177.90 3g5u h GLU 279 N -0.63 -0.10 0.00 2.33 5.08 -1.18 0.89 114.58 120.97 3g5u h GLU 279 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3g5u h GLU 279 Cb 0.49 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3g5u h GLU 279 CO 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 3g5u n ALA 280 N -3.25 0.00 0.18 3.43 0.00 -0.83 0.57 120.51 120.61 3g5u n ALA 280 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 3g5u n ALA 280 Cb 0.32 0.07 0.10 0.00 0.00 0.00 0.00 19.45 19.94 3g5u n ALA 280 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g5u n LYS 281 N -0.32 0.06 0.00 0.00 4.01 -0.79 -0.70 118.16 120.43 3g5u n LYS 281 Ca 0.00 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 3g5u n LYS 281 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 3g5u n LYS 281 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3g5u n ARG 282 N -1.23 0.00 -0.46 1.97 5.12 0.31 0.13 116.66 122.50 3g5u n ARG 282 Ca 0.02 0.00 0.41 0.00 -1.93 0.00 0.00 57.85 56.35 3g5u n ARG 282 Cb 0.03 -0.37 0.76 0.00 -1.16 0.00 0.00 32.46 31.72 3g5u n ARG 282 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3g5u h LEU 283 N 0.00 0.03 0.00 0.55 8.10 -1.31 1.00 115.31 123.68 3g5u h LEU 283 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 3g5u h LEU 283 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 3g5u h LEU 283 CO 0.00 -0.01 0.00 0.61 -4.11 0.00 0.00 178.44 174.93 3g5u n GLY 284 N -1.80 -1.94 0.00 0.17 0.00 0.13 0.67 105.19 102.42 3g5u n GLY 284 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.36 3g5u n GLY 284 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g5u n ILE 285 N -1.80 0.55 1.00 -0.61 0.00 0.34 0.33 119.36 119.17 3g5u n ILE 285 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 62.75 63.00 3g5u n ILE 285 Cb 0.00 -1.07 0.13 0.00 0.00 0.00 0.00 39.64 38.70 3g5u n ILE 285 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3g5u n LYS 286 N -1.16 0.00 0.05 9.51 4.01 0.34 0.12 118.16 131.03 3g5u n LYS 286 Ca 0.03 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.61 3g5u n LYS 286 Cb 0.03 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 32.90 3g5u n LYS 286 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3g5u h LYS 287 N 0.00 0.33 0.00 1.97 3.64 1.11 1.35 116.57 124.97 3g5u h LYS 287 Ca 0.00 -0.57 -0.06 0.00 -1.27 0.00 0.00 60.65 58.76 3g5u h LYS 287 Cb 0.50 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3g5u h LYS 287 CO 0.00 1.25 -0.27 0.00 -2.27 0.00 0.00 179.45 178.16 3g5u h ALA 288 N 0.15 0.96 0.01 5.00 0.00 -1.38 0.88 119.26 124.89 3g5u h ALA 288 Ca -0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3g5u h ALA 288 Cb 2.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3g5u h ALA 288 CO 0.14 0.33 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 3g5u h ILE 289 N 0.00 0.00 0.00 0.00 1.08 0.11 1.29 117.51 119.99 3g5u h ILE 289 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3g5u h ILE 289 Cb 0.87 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3g5u h ILE 289 CO 0.03 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.84 3g5u n THR 290 N -2.08 0.00 -0.02 -0.27 -2.24 0.46 0.30 114.28 110.43 3g5u n THR 290 Ca -0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3g5u n THR 290 Cb 0.01 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.41 3g5u n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5u n ALA 291 N -0.71 2.20 0.03 6.98 0.00 0.31 0.13 120.51 129.44 3g5u n ALA 291 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.83 3g5u n ALA 291 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 3g5u n ALA 291 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3g5u h ASN 292 N 0.00 0.80 0.39 0.00 -0.73 1.46 1.77 115.58 119.26 3g5u h ASN 292 Ca -0.11 -0.59 -0.02 0.00 1.87 0.00 0.00 56.30 57.46 3g5u h ASN 292 Cb 0.95 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.31 3g5u h ASN 292 CO 0.01 1.38 -0.19 0.40 -0.37 0.00 0.00 177.43 178.66 3g5u h ILE 293 N 0.39 0.00 0.00 2.57 1.08 0.10 0.97 117.51 122.63 3g5u h ILE 293 Ca -0.08 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3g5u h ILE 293 Cb 1.54 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 3g5u h ILE 293 CO 0.17 0.00 0.52 0.28 -0.69 0.00 0.00 178.15 178.44 3g5u h SER 294 N -0.54 0.00 0.19 1.72 0.02 0.13 0.86 113.55 115.93 3g5u h SER 294 Ca -0.05 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.58 3g5u h SER 294 Cb 0.40 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.96 3g5u h SER 294 CO 0.09 0.00 -1.49 0.24 -1.14 0.00 0.00 176.83 174.53 3g5u h MET 295 N 0.00 0.41 -0.90 3.45 2.86 0.59 -0.26 114.93 121.07 3g5u h MET 295 Ca 0.00 -0.70 0.13 0.00 -2.06 0.00 0.00 59.70 57.07 3g5u h MET 295 Cb 1.04 0.26 -0.09 0.00 0.06 0.00 0.00 31.60 32.88 3g5u h MET 295 CO 0.00 1.33 0.52 0.78 1.06 0.00 0.00 176.91 180.61 3g5u h GLY 296 N 0.26 1.47 1.03 8.32 0.00 0.80 1.06 103.07 116.00 3g5u h GLY 296 Ca -0.28 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 46.78 3g5u h GLY 296 CO 0.19 0.07 0.47 0.00 0.00 0.00 0.00 176.54 177.27 3g5u h ALA 297 N 1.53 1.73 -3.00 3.60 0.00 -0.96 0.29 119.26 122.44 3g5u h ALA 297 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3g5u h ALA 297 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3g5u h ALA 297 CO -0.30 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3g5u n ALA 298 N -2.45 0.00 -0.14 0.00 0.00 0.36 0.36 120.51 118.64 3g5u n ALA 298 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 3g5u n ALA 298 Cb 0.24 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.79 3g5u n ALA 298 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3g5u n PHE 299 N 0.00 0.22 -0.03 0.00 3.72 -0.57 0.13 117.46 120.93 3g5u n PHE 299 Ca 0.00 0.48 -0.14 0.00 -0.05 0.00 0.00 57.45 57.74 3g5u n PHE 299 Cb 0.00 -0.78 -0.10 0.00 -0.94 0.00 0.00 39.48 37.67 3g5u n PHE 299 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3g5u h LEU 300 N 0.00 0.16 -0.19 4.37 3.38 -0.51 0.97 115.31 123.49 3g5u h LEU 300 Ca 0.22 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3g5u h LEU 300 Cb 0.43 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3g5u h LEU 300 CO -0.38 0.72 -0.22 0.25 0.09 0.00 0.00 178.44 178.90 3g5u h LEU 301 N -0.40 -0.68 -1.11 1.67 5.85 0.41 0.68 115.31 121.73 3g5u h LEU 301 Ca -0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3g5u h LEU 301 Cb 0.70 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3g5u h LEU 301 CO 0.02 -0.26 0.00 0.40 -0.34 0.00 0.00 178.44 178.26 3g5u h ILE 302 N -0.25 0.00 0.26 4.05 5.03 -1.01 -1.82 117.51 123.77 3g5u h ILE 302 Ca 0.12 -0.34 -0.01 0.00 -0.12 0.00 0.00 64.86 64.51 3g5u h ILE 302 Cb 0.42 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3g5u h ILE 302 CO -0.33 0.00 -0.12 0.22 -0.68 0.00 0.00 178.15 177.24 3g5u h TYR 303 N 0.00 -0.32 -0.01 1.37 -0.00 0.70 -1.65 116.97 117.05 3g5u h TYR 303 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3g5u h TYR 303 Cb 0.41 0.11 -0.00 0.00 -0.00 0.00 0.00 36.73 37.24 3g5u h TYR 303 CO 0.00 -0.20 0.36 0.00 -0.00 0.00 0.00 178.16 178.32 3g5u h ALA 304 N -1.76 1.38 -0.36 1.82 0.00 -0.78 1.02 119.26 120.58 3g5u h ALA 304 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3g5u h ALA 304 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g5u h ALA 304 CO 0.06 -0.36 0.07 1.03 0.00 0.00 0.00 179.25 180.05 3g5u h SER 305 N 0.00 0.55 -0.30 0.00 0.87 -0.83 0.16 113.55 114.00 3g5u h SER 305 Ca 0.01 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.36 3g5u h SER 305 Cb 0.72 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 3g5u h SER 305 CO -0.00 0.66 -0.43 0.10 -0.53 0.00 0.00 176.83 176.63 3g5u h TYR 306 N 0.43 -1.30 -0.95 2.24 -0.00 0.20 0.24 116.97 117.82 3g5u h TYR 306 Ca 0.11 0.06 0.24 0.00 0.00 0.00 0.00 58.73 59.15 3g5u h TYR 306 Cb 0.33 0.61 -0.18 0.00 0.00 0.00 0.00 36.73 37.49 3g5u h TYR 306 CO 0.02 -0.38 -0.02 0.00 -0.00 0.00 0.00 178.16 177.79 3g5u h ALA 307 N -0.36 1.03 -3.00 0.10 0.00 -0.83 1.03 119.26 117.23 3g5u h ALA 307 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3g5u h ALA 307 Cb 0.46 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g5u h ALA 307 CO -0.45 -0.52 0.00 -0.11 0.00 0.00 0.00 179.25 178.18 3g5u n LEU 308 N -5.48 0.00 -0.37 0.00 7.94 0.77 -0.12 117.00 119.74 3g5u n LEU 308 Ca 0.20 0.00 0.37 0.00 -1.11 0.00 0.00 56.01 55.48 3g5u n LEU 308 Cb 0.67 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.30 3g5u n LEU 308 CO -0.05 0.00 1.35 0.00 -1.11 0.00 0.00 177.39 177.57 3g5u h ALA 309 N -2.54 3.21 -3.00 1.96 0.00 -1.16 0.48 119.26 118.22 3g5u h ALA 309 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3g5u h ALA 309 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3g5u h ALA 309 CO 0.00 -1.78 0.00 0.34 0.00 0.00 0.00 179.25 177.81 3g5u n PHE 310 N -3.76 0.00 -0.25 0.00 -0.00 0.35 -1.96 117.46 111.85 3g5u n PHE 310 Ca 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.77 3g5u n PHE 310 Cb 1.52 0.00 0.16 0.00 -0.00 0.00 0.00 39.48 41.16 3g5u n PHE 310 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 3g5u h TRP 311 N 0.00 0.54 0.00 -5.13 -0.00 0.13 -2.14 115.95 109.35 3g5u h TRP 311 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3g5u h TRP 311 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.03 3g5u h TRP 311 CO 0.00 0.13 0.00 0.98 -0.00 0.00 0.00 178.44 179.55 3g5u n TYR 312 N -4.95 0.00 -0.28 0.49 9.36 0.10 0.16 117.16 122.05 3g5u n TYR 312 Ca 0.12 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.66 3g5u n TYR 312 Cb 0.35 0.00 0.49 0.00 -0.63 0.00 0.00 39.34 39.54 3g5u n TYR 312 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3g5u h GLY 313 N 0.00 0.00 0.16 2.98 0.00 -1.46 0.83 103.07 105.57 3g5u h GLY 313 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3g5u h GLY 313 CO 0.00 0.00 -0.07 -0.84 0.00 0.00 0.00 176.54 175.63 3g5u h THR 314 N 0.00 0.00 -0.59 4.70 2.02 -0.77 -2.05 112.91 116.23 3g5u h THR 314 Ca 0.55 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 67.68 3g5u h THR 314 Cb 3.03 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 69.33 3g5u h THR 314 CO -0.01 0.00 -0.38 0.28 0.37 0.00 0.00 175.52 175.78 3g5u h SER 315 N -0.36 -1.32 -0.15 4.18 0.02 0.86 0.10 113.55 116.89 3g5u h SER 315 Ca -0.02 0.24 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3g5u h SER 315 Cb 0.16 0.63 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 3g5u h SER 315 CO 0.04 -0.32 -0.21 0.25 -1.14 0.00 0.00 176.83 175.44 3g5u h LEU 316 N -0.19 -0.67 -1.22 5.07 6.46 -1.31 0.19 115.31 123.64 3g5u h LEU 316 Ca 0.21 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 3g5u h LEU 316 Cb 0.56 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 3g5u h LEU 316 CO -0.69 -0.26 0.00 0.52 -0.62 0.00 0.00 178.44 177.39 3g5u n VAL 317 N -5.35 0.16 -0.25 1.05 0.31 0.19 -1.95 118.33 112.49 3g5u n VAL 317 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3g5u n VAL 317 Cb 0.27 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 3g5u n VAL 317 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5u n ILE 318 N 0.25 0.00 -0.05 2.52 0.00 0.60 -3.94 119.36 118.75 3g5u n ILE 318 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 62.75 62.54 3g5u n ILE 318 Cb 0.22 1.25 -0.10 0.00 0.00 0.00 0.00 39.64 41.01 3g5u n ILE 318 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3g5u n SER 319 N -0.22 1.88 0.00 9.51 7.64 -0.71 -3.92 113.62 127.80 3g5u n SER 319 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3g5u n SER 319 Cb 0.06 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 3g5u n SER 319 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3g5u n LYS 320 N -2.32 0.00 -2.14 1.43 5.02 -0.92 -4.91 118.16 114.32 3g5u n LYS 320 Ca -0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 3g5u n LYS 320 Cb 0.75 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.94 3g5u n LYS 320 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3g5u n GLU 321 N 0.00 -0.94 -2.84 1.97 0.28 -1.26 -4.05 120.64 113.80 3g5u n GLU 321 Ca 0.00 -2.31 -0.17 0.00 -0.16 0.00 0.00 57.16 54.52 3g5u n GLU 321 Cb 0.00 -1.16 -0.03 0.00 1.43 0.00 0.00 31.44 31.68 3g5u n GLU 321 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3g5u n TYR 322 N -3.55 -0.49 -2.08 -1.84 9.36 -1.26 -3.29 117.16 114.01 3g5u n TYR 322 Ca 0.17 0.28 -0.30 0.00 3.32 0.00 0.00 57.90 61.37 3g5u n TYR 322 Cb 0.59 -0.83 -0.04 0.00 -0.63 0.00 0.00 39.34 38.42 3g5u n TYR 322 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3g5u s SER 323 N -2.20 5.26 0.00 2.98 0.01 -1.25 -4.26 113.70 114.24 3g5u s SER 323 Ca 0.29 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3g5u s SER 323 Cb -0.17 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3g5u s SER 323 CO 0.43 -2.58 0.00 2.30 0.41 0.00 0.00 173.24 173.79 3g5u n ILE 324 N 7.65 0.00 -2.11 1.44 -6.64 -1.25 -4.97 119.36 113.48 3g5u n ILE 324 Ca 0.35 -0.04 -0.21 0.00 -1.77 0.00 0.00 62.75 61.07 3g5u n ILE 324 Cb 0.48 0.39 -0.04 0.00 -1.44 0.00 0.00 39.64 39.03 3g5u n ILE 324 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3g5u n GLY 325 N 0.72 0.42 0.10 3.28 0.00 -1.26 -4.79 105.19 103.66 3g5u n GLY 325 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3g5u n GLY 325 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3g5u n GLN 326 N -2.79 1.24 0.26 1.61 -0.06 -1.26 -4.51 117.38 111.87 3g5u n GLN 326 Ca -0.24 -1.30 0.15 0.00 -2.00 0.00 0.00 57.00 53.61 3g5u n GLN 326 Cb 0.69 -0.85 0.56 0.00 -4.06 0.00 0.00 30.24 26.58 3g5u n GLN 326 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 3g5u h VAL 327 N 2.13 0.11 0.00 1.69 -1.51 -1.90 -3.11 116.25 113.66 3g5u h VAL 327 Ca 0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 3g5u h VAL 327 Cb 0.90 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 3g5u h VAL 327 CO 0.00 0.05 0.00 -0.11 -1.23 0.00 0.00 177.57 176.28 3g5u n LEU 328 N -3.15 0.00 -0.12 4.19 7.94 -1.26 -1.44 117.00 123.16 3g5u n LEU 328 Ca 0.01 0.35 -0.03 0.00 -1.11 0.00 0.00 56.01 55.23 3g5u n LEU 328 Cb 0.36 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.29 3g5u n LEU 328 CO 0.29 0.00 0.14 0.41 -1.11 0.00 0.00 177.39 177.13 3g5u n THR 329 N -0.68 -0.19 0.00 1.96 -1.04 -1.18 -1.42 114.28 111.74 3g5u n THR 329 Ca 0.00 0.69 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 3g5u n THR 329 Cb 0.00 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 3g5u n THR 329 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3g5u n VAL 330 N -4.37 0.00 -0.26 12.58 0.31 -0.66 -1.06 118.33 124.88 3g5u n VAL 330 Ca 0.01 0.74 -0.07 0.00 -0.01 0.00 0.00 64.34 65.02 3g5u n VAL 330 Cb 0.08 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.28 3g5u n VAL 330 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3g5u n PHE 331 N -0.28 -0.27 -0.33 3.52 3.01 -0.52 0.13 117.46 122.72 3g5u n PHE 331 Ca 0.00 0.76 0.09 0.00 1.01 0.00 0.00 57.45 59.31 3g5u n PHE 331 Cb 0.00 -0.54 0.18 0.00 -0.01 0.00 0.00 39.48 39.11 3g5u n PHE 331 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3g5u n PHE 332 N -4.39 0.43 -0.13 1.38 -0.00 -0.51 -0.38 117.46 113.86 3g5u n PHE 332 Ca 0.01 1.12 -0.10 0.00 -0.00 0.00 0.00 57.45 58.48 3g5u n PHE 332 Cb 0.16 -1.09 -0.02 0.00 -0.00 0.00 0.00 39.48 38.53 3g5u n PHE 332 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3g5u h SER 333 N 0.00 0.56 -0.83 -2.13 0.87 0.27 -2.18 113.55 110.12 3g5u h SER 333 Ca 0.49 -0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.92 3g5u h SER 333 Cb 0.85 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 3g5u h SER 333 CO -0.92 0.65 0.54 1.62 -0.53 0.00 0.00 176.83 178.19 3g5u h VAL 334 N 0.45 0.93 -0.87 2.23 3.04 0.14 0.49 116.25 122.67 3g5u h VAL 334 Ca 0.12 -0.26 0.10 0.00 -1.01 0.00 0.00 66.70 65.64 3g5u h VAL 334 Cb 0.30 0.11 -0.07 0.00 -2.01 0.00 0.00 31.29 29.62 3g5u h VAL 334 CO 0.00 0.14 0.51 0.25 -1.01 0.00 0.00 177.57 177.46 3g5u h LEU 335 N 0.75 0.75 -0.85 3.16 6.46 -0.69 0.52 115.31 125.41 3g5u h LEU 335 Ca 0.39 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.30 3g5u h LEU 335 Cb 0.49 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 3g5u h LEU 335 CO -0.16 0.43 0.49 0.40 -0.62 0.00 0.00 178.44 178.98 3g5u h ILE 336 N 0.86 0.88 -0.02 4.05 1.08 0.38 -1.94 117.51 122.80 3g5u h ILE 336 Ca 0.42 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 3g5u h ILE 336 Cb 0.36 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.08 3g5u h ILE 336 CO -0.24 0.14 -0.32 1.23 -0.69 0.00 0.00 178.15 178.28 3g5u h GLY 337 N 0.79 -0.51 -0.03 5.37 0.00 0.87 -2.15 103.07 107.42 3g5u h GLY 337 Ca 0.42 0.38 0.01 0.00 0.00 0.00 0.00 47.33 48.14 3g5u h GLY 337 CO -0.27 -0.23 -0.08 0.00 0.00 0.00 0.00 176.54 175.96 3g5u h ALA 338 N 0.29 -0.45 -0.85 3.60 0.00 -0.76 -1.50 119.26 119.59 3g5u h ALA 338 Ca 0.07 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.17 3g5u h ALA 338 Cb 0.55 0.68 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 3g5u h ALA 338 CO -0.28 -0.48 -0.12 1.19 0.00 0.00 0.00 179.25 179.56 3g5u n PHE 339 N -3.02 0.40 0.04 0.00 0.99 -0.99 0.73 117.46 115.61 3g5u n PHE 339 Ca -0.01 1.03 0.03 0.00 -0.00 0.00 0.00 57.45 58.50 3g5u n PHE 339 Cb 0.05 -1.05 0.40 0.00 -1.00 0.00 0.00 39.48 37.88 3g5u n PHE 339 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3g5u h SER 340 N 0.00 0.39 0.04 4.37 4.64 -0.62 0.57 113.55 122.95 3g5u h SER 340 Ca 0.45 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 3g5u h SER 340 Cb 0.80 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3g5u h SER 340 CO -0.84 0.38 -0.08 0.58 -0.87 0.00 0.00 176.83 176.00 3g5u h VAL 341 N 0.43 1.10 0.62 0.95 2.07 0.11 -1.04 116.25 120.49 3g5u h VAL 341 Ca 0.11 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3g5u h VAL 341 Cb 0.13 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3g5u h VAL 341 CO -0.01 0.13 -0.30 1.23 0.02 0.00 0.00 177.57 178.64 3g5u h GLY 342 N 0.42 -0.87 0.17 2.17 0.00 -0.49 -1.81 103.07 102.65 3g5u h GLY 342 Ca 0.02 0.32 0.19 0.00 0.00 0.00 0.00 47.33 47.87 3g5u h GLY 342 CO 0.01 -0.32 0.61 1.46 0.00 0.00 0.00 176.54 178.31 3g5u h GLN 343 N -0.87 0.66 -0.81 4.80 1.08 -1.27 0.15 115.11 118.85 3g5u h GLN 343 Ca -0.09 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.17 3g5u h GLN 343 Cb 0.64 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.85 3g5u h GLN 343 CO 0.14 0.44 0.46 0.00 -0.95 0.00 0.00 178.83 178.92 3g5u h ALA 344 N 1.63 1.15 0.39 3.87 0.00 -1.05 -2.63 119.26 122.62 3g5u h ALA 344 Ca 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 3g5u h ALA 344 Cb 0.97 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3g5u h ALA 344 CO -0.33 0.09 -0.19 1.03 0.00 0.00 0.00 179.25 179.86 3g5u h SER 345 N 0.78 -0.44 -0.68 0.00 0.87 0.20 -1.87 113.55 112.41 3g5u h SER 345 Ca 0.39 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.97 3g5u h SER 345 Cb 0.35 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3g5u h SER 345 CO -0.24 -0.28 0.42 -0.65 -0.53 0.00 0.00 176.83 175.55 3g5u h PRO 346 N -0.56 0.80 -0.82 2.24 0.11 -1.32 -0.97 132.00 131.47 3g5u h PRO 346 Ca -0.05 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 66.16 3g5u h PRO 346 Cb 0.42 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.26 3g5u h PRO 346 CO 0.09 0.53 0.39 -0.91 -0.21 0.00 0.00 178.00 177.89 3g5u h ASN 347 N 0.83 0.44 -0.25 -2.05 -0.26 -1.41 -0.69 115.58 112.19 3g5u h ASN 347 Ca 0.27 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 56.11 3g5u h ASN 347 Cb 0.02 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 3g5u h ASN 347 CO -0.11 0.17 0.13 0.40 -1.06 0.00 0.00 177.43 176.95 3g5u h ILE 348 N 0.55 1.14 -0.25 2.81 1.08 -0.80 -2.11 117.51 119.93 3g5u h ILE 348 Ca 0.46 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 3g5u h ILE 348 Cb 0.68 0.94 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 3g5u h ILE 348 CO -0.39 0.14 -0.54 -0.08 -0.69 0.00 0.00 178.15 176.59 3g5u h GLU 349 N 0.28 -0.48 -0.79 2.37 4.81 0.19 -0.91 114.58 120.05 3g5u h GLU 349 Ca 0.09 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.47 3g5u h GLU 349 Cb 0.11 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 29.46 3g5u h GLU 349 CO -0.01 -0.32 -0.39 0.00 -0.73 0.00 0.00 179.01 177.55 3g5u h ALA 350 N -0.16 -0.04 -0.02 2.92 0.00 -0.96 -1.09 119.26 119.90 3g5u h ALA 350 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3g5u h ALA 350 Cb 0.65 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3g5u h ALA 350 CO -0.50 -0.70 -0.07 0.35 0.00 0.00 0.00 179.25 178.33 3g5u h PHE 351 N -0.10 -0.20 -0.88 0.00 3.04 -0.53 -1.93 116.94 116.34 3g5u h PHE 351 Ca 0.27 0.01 0.23 0.00 3.98 0.00 0.00 57.97 62.45 3g5u h PHE 351 Cb 0.56 0.09 -0.15 0.00 2.56 0.00 0.00 35.95 39.01 3g5u h PHE 351 CO -0.78 -0.07 0.11 0.00 -2.02 0.00 0.00 178.31 175.56 3g5u h ALA 352 N -1.26 1.11 0.36 2.41 0.00 -0.49 -0.80 119.26 120.59 3g5u h ALA 352 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3g5u h ALA 352 Cb 0.08 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3g5u h ALA 352 CO -0.06 -0.49 -0.27 -0.91 0.00 0.00 0.00 179.25 177.53 3g5u h ASN 353 N 0.12 -0.69 -0.49 0.00 4.21 -0.85 0.52 115.58 118.39 3g5u h ASN 353 Ca 0.53 0.05 0.07 0.00 1.21 0.00 0.00 56.30 58.16 3g5u h ASN 353 Cb 1.05 0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.44 3g5u h ASN 353 CO -0.74 -0.41 0.33 0.00 -1.29 0.00 0.00 177.43 175.33 3g5u h ALA 354 N -0.05 1.96 0.18 -0.83 0.00 -0.53 -0.90 119.26 119.09 3g5u h ALA 354 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3g5u h ALA 354 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3g5u h ALA 354 CO 0.00 -0.05 -0.09 -0.09 0.00 0.00 0.00 179.25 179.03 3g5u h ARG 355 N 0.39 -0.24 -0.98 0.00 2.43 -0.67 -1.79 114.38 113.53 3g5u h ARG 355 Ca 0.22 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.54 3g5u h ARG 355 Cb 0.36 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 29.81 3g5u h ARG 355 CO -0.05 -0.16 -0.45 0.78 -1.51 0.00 0.00 179.97 178.58 3g5u h GLY 356 N -0.31 -0.20 0.00 2.80 0.00 -0.50 -1.16 103.07 103.70 3g5u h GLY 356 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3g5u h GLY 356 CO 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.45 3g5u n ALA 357 N -3.40 -0.01 -1.00 3.60 0.00 -0.38 -1.65 120.51 117.68 3g5u n ALA 357 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3g5u n ALA 357 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3g5u n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 358 N -0.83 0.00 0.00 0.00 0.00 -0.67 -1.60 120.51 117.41 3g5u n ALA 358 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 358 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3g5u n ALA 358 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3g5u n TYR 359 N 0.00 0.00 0.20 0.00 4.19 -0.46 0.16 117.16 121.24 3g5u n TYR 359 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 3g5u n TYR 359 Cb 0.00 -0.43 -0.04 0.00 0.49 0.00 0.00 39.34 39.37 3g5u n TYR 359 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3g5u h GLU 360 N 0.00 -0.52 -0.99 2.98 5.08 -1.32 -1.93 114.58 117.88 3g5u h GLU 360 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3g5u h GLU 360 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3g5u h GLU 360 CO 0.00 -0.35 0.00 1.33 -1.00 0.00 0.00 179.01 178.99 3g5u n VAL 361 N -4.33 0.39 -0.09 3.13 0.24 0.73 -1.08 118.33 117.32 3g5u n VAL 361 Ca -0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 3g5u n VAL 361 Cb 0.21 -0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 31.80 3g5u n VAL 361 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3g5u n PHE 362 N 0.24 0.00 0.36 6.34 -0.00 0.41 -1.61 117.46 123.20 3g5u n PHE 362 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 3g5u n PHE 362 Cb 0.33 -0.78 0.49 0.00 -0.00 0.00 0.00 39.48 39.52 3g5u n PHE 362 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3g5u h LYS 363 N 0.00 0.00 0.00 -4.13 1.57 -0.30 1.23 116.57 114.94 3g5u h LYS 363 Ca -0.44 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.12 3g5u h LYS 363 Cb 1.79 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.06 3g5u h LYS 363 CO -0.04 0.00 -1.31 0.82 -0.57 0.00 0.00 179.45 178.35 3g5u h ILE 364 N 0.00 0.93 0.00 1.86 2.04 -1.51 -3.37 117.51 117.47 3g5u h ILE 364 Ca 0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 3g5u h ILE 364 Cb 0.59 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3g5u h ILE 364 CO 0.00 0.53 0.00 -0.38 0.00 0.00 0.00 178.15 178.30 3g5u n ILE 365 N -3.09 0.00 0.00 -0.67 5.41 0.15 -4.73 119.36 116.43 3g5u n ILE 365 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3g5u n ILE 365 Cb 0.92 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.84 3g5u n ILE 365 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3g5u n ASP 366 N 0.00 0.00 0.00 4.38 9.92 0.37 -4.74 116.55 126.49 3g5u n ASP 366 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3g5u n ASP 366 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3g5u n ASP 366 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3g5u n ASN 367 N -0.33 0.00 -2.43 -2.24 6.94 -1.25 -4.87 115.26 111.09 3g5u n ASN 367 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 3g5u n ASN 367 Cb 0.00 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 3g5u n ASN 367 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3g5u n LYS 368 N 0.00 3.40 -0.47 -3.83 4.76 -1.26 -4.86 118.16 115.90 3g5u n LYS 368 Ca 0.00 -4.36 0.40 0.00 -2.87 0.00 0.00 58.31 51.48 3g5u n LYS 368 Cb 0.00 -2.26 0.67 0.00 -1.84 0.00 0.00 35.03 31.61 3g5u n LYS 368 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3g5u n PRO 369 N -0.53 -0.04 0.00 1.97 -0.02 -1.26 -4.38 135.00 130.75 3g5u n PRO 369 Ca 0.41 1.24 0.00 0.00 -2.02 0.00 0.00 63.50 63.13 3g5u n PRO 369 Cb 0.68 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3g5u n PRO 369 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3g5u n SER 370 N -4.69 0.00 0.00 2.55 2.88 -1.26 -4.39 113.62 108.71 3g5u n SER 370 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 3g5u n SER 370 Cb 1.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.02 3g5u n SER 370 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3g5u n ILE 371 N 0.00 0.00 0.00 2.46 2.08 -1.26 -3.46 119.36 119.17 3g5u n ILE 371 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3g5u n ILE 371 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3g5u n ILE 371 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3g5u n ASP 372 N 0.00 0.00 0.05 4.38 3.85 -1.26 -3.86 116.55 119.71 3g5u n ASP 372 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3g5u n ASP 372 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3g5u n ASP 372 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3g5u n SER 373 N -0.31 -0.88 -1.25 -1.12 3.41 -1.23 -4.75 113.62 107.50 3g5u n SER 373 Ca 0.00 0.36 0.17 0.00 -0.26 0.00 0.00 58.87 59.14 3g5u n SER 373 Cb 0.00 1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 3g5u n SER 373 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3g5u n PHE 374 N -2.73 -3.11 -2.48 7.33 -0.00 -1.25 -4.83 117.46 110.40 3g5u n PHE 374 Ca 0.00 1.56 -0.03 0.00 -0.00 0.00 0.00 57.45 58.98 3g5u n PHE 374 Cb 0.00 -2.82 0.07 0.00 -0.00 0.00 0.00 39.48 36.72 3g5u n PHE 374 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3g5u n SER 375 N -4.33 -1.19 -3.31 -2.13 7.64 -1.26 -4.98 113.62 104.07 3g5u n SER 375 Ca 0.00 -2.15 -0.10 0.00 1.01 0.00 0.00 58.87 57.64 3g5u n SER 375 Cb 0.65 0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 64.31 3g5u n SER 375 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3g5u s LYS 376 N -0.04 0.60 -0.16 1.43 3.01 -1.26 -4.82 119.74 118.50 3g5u s LYS 376 Ca 0.07 -0.37 -0.10 0.00 -1.01 0.00 0.00 55.97 54.56 3g5u s LYS 376 Cb 0.31 -0.39 0.04 0.00 -1.01 0.00 0.00 37.83 36.78 3g5u s LYS 376 CO -0.09 -1.14 0.20 0.43 0.51 0.00 0.00 175.35 175.26 3g5u n SER 377 N 4.68 -0.76 0.00 2.83 7.64 -1.26 -5.13 113.62 121.63 3g5u n SER 377 Ca 0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3g5u n SER 377 Cb 0.49 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 3g5u n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g5u n GLY 378 N 1.36 3.47 3.58 0.23 0.00 -1.26 -5.08 105.19 107.49 3g5u n GLY 378 Ca -0.34 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3g5u n GLY 378 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3g5u s HIS 379 N 3.18 1.69 -0.47 1.61 2.46 -1.26 -4.77 115.29 117.74 3g5u s HIS 379 Ca 0.00 1.13 -0.13 0.00 0.47 0.00 0.00 55.06 56.53 3g5u s HIS 379 Cb 0.00 -3.17 0.09 0.00 -0.13 0.00 0.00 32.58 29.37 3g5u s HIS 379 CO 0.00 -3.40 0.36 0.15 -2.47 0.00 0.00 174.74 169.38 3g5u s LYS 380 N -4.68 2.81 -1.01 2.88 1.02 -1.26 -3.93 119.74 115.57 3g5u s LYS 380 Ca 0.67 -1.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 3g5u s LYS 380 Cb -0.22 -4.03 0.28 0.00 -0.52 0.00 0.00 37.83 33.34 3g5u s LYS 380 CO 0.61 -1.07 1.18 -2.30 -0.92 0.00 0.00 175.35 172.85 3g5u n PRO 381 N 5.09 3.68 0.00 -1.68 -0.02 -1.26 -4.81 135.00 136.00 3g5u n PRO 381 Ca -0.11 -4.53 0.14 0.00 -2.02 0.00 0.00 63.50 56.97 3g5u n PRO 381 Cb 0.43 -2.47 0.50 0.00 -0.02 0.00 0.00 33.50 31.93 3g5u n PRO 381 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3g5u n ASP 382 N 1.80 0.77 0.23 2.55 5.75 -1.26 -4.32 116.55 122.08 3g5u n ASP 382 Ca 0.25 -0.76 0.16 0.00 -0.01 0.00 0.00 54.79 54.43 3g5u n ASP 382 Cb 0.36 0.03 0.76 0.00 -1.03 0.00 0.00 41.12 41.24 3g5u n ASP 382 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3g5u h ASN 383 N 0.94 0.00 0.00 -1.12 4.21 -2.04 -3.48 115.58 114.09 3g5u h ASN 383 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3g5u h ASN 383 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3g5u h ASN 383 CO 0.00 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.76 3g5u n ILE 384 N -2.68 0.00 -0.86 2.81 2.08 -1.26 -4.80 119.36 114.65 3g5u n ILE 384 Ca -0.00 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.95 3g5u n ILE 384 Cb 0.16 0.00 0.09 0.00 -0.75 0.00 0.00 39.64 39.14 3g5u n ILE 384 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 3g5u n GLN 385 N 13.65 -0.57 0.00 0.38 -0.06 -1.26 -4.93 117.38 124.59 3g5u n GLN 385 Ca 0.00 -0.15 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 3g5u n GLN 385 Cb 0.00 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 3g5u n GLN 385 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g5u n GLY 386 N 2.68 1.04 3.55 1.69 0.00 -1.26 -4.74 105.19 108.15 3g5u n GLY 386 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 3g5u n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g5u s ASN 387 N 0.00 4.31 0.37 1.61 -0.87 -1.11 -4.42 114.94 114.84 3g5u s ASN 387 Ca 0.00 -0.33 -0.24 0.00 -1.57 0.00 0.00 52.86 50.72 3g5u s ASN 387 Cb 0.00 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.25 40.28 3g5u s ASN 387 CO 0.00 0.22 0.95 -0.76 -2.57 0.00 0.00 177.10 174.95 3g5u s LEU 388 N -1.82 4.16 -0.35 0.60 1.02 -0.71 -1.61 118.68 119.96 3g5u s LEU 388 Ca 0.19 1.78 -0.00 0.00 0.02 0.00 0.00 54.13 56.12 3g5u s LEU 388 Cb -0.11 -4.25 0.13 0.00 0.02 0.00 0.00 46.19 41.98 3g5u s LEU 388 CO 0.10 -0.22 0.19 -1.61 0.02 0.00 0.00 176.35 174.83 3g5u s GLU 389 N -2.56 0.64 -0.65 1.70 0.41 0.51 -1.45 118.70 117.29 3g5u s GLU 389 Ca 0.56 -1.28 -0.26 0.00 -0.41 0.00 0.00 54.97 53.58 3g5u s GLU 389 Cb -0.15 -1.55 0.04 0.00 -1.78 0.00 0.00 34.13 30.69 3g5u s GLU 389 CO 0.19 -1.14 1.12 -0.06 -0.49 0.00 0.00 175.26 174.89 3g5u s PHE 390 N 1.19 2.53 -0.28 1.61 2.99 0.34 -1.37 117.98 125.00 3g5u s PHE 390 Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 56.93 56.97 3g5u s PHE 390 Cb -0.21 -4.42 0.02 0.00 0.00 0.00 0.00 43.02 38.40 3g5u s PHE 390 CO -0.09 -1.75 0.02 0.15 -0.00 0.00 0.00 175.22 173.55 3g5u s LYS 391 N 4.85 2.99 -0.81 0.44 1.02 -0.06 0.13 119.74 128.30 3g5u s LYS 391 Ca 0.33 -0.90 -0.09 0.00 0.02 0.00 0.00 55.97 55.33 3g5u s LYS 391 Cb -0.11 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3g5u s LYS 391 CO 0.17 -0.42 0.54 -1.71 -0.92 0.00 0.00 175.35 173.00 3g5u n ASN 392 N 4.78 -3.96 -4.31 2.83 5.15 -0.41 -1.47 115.26 117.88 3g5u n ASN 392 Ca -0.15 -0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 52.55 3g5u n ASN 392 Cb 0.48 -1.37 -0.14 0.00 -0.53 0.00 0.00 39.78 38.21 3g5u n ASN 392 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3g5u s ILE 393 N -3.10 3.11 0.11 -1.44 -0.00 0.43 -3.10 121.20 117.20 3g5u s ILE 393 Ca 0.12 -0.60 0.02 0.00 -0.00 0.00 0.00 60.65 60.19 3g5u s ILE 393 Cb -0.07 -2.37 -0.04 0.00 -0.00 0.00 0.00 42.46 39.99 3g5u s ILE 393 CO 0.80 0.47 0.22 -1.00 -0.00 0.00 0.00 174.94 175.43 3g5u s HIS 394 N 1.05 3.44 -0.29 1.37 3.76 -0.57 -1.71 115.29 122.33 3g5u s HIS 394 Ca -0.00 0.16 -0.20 0.00 -0.15 0.00 0.00 55.06 54.86 3g5u s HIS 394 Cb -0.15 -1.69 0.17 0.00 1.11 0.00 0.00 32.58 32.03 3g5u s HIS 394 CO -0.01 0.55 1.21 0.12 -0.85 0.00 0.00 174.74 175.75 3g5u s PHE 395 N -1.61 -0.26 0.04 1.40 5.36 0.23 -0.71 117.98 122.43 3g5u s PHE 395 Ca 0.34 0.56 0.09 0.00 -0.96 0.00 0.00 56.93 56.96 3g5u s PHE 395 Cb -0.12 0.31 -0.03 0.00 -0.34 0.00 0.00 43.02 42.84 3g5u s PHE 395 CO 0.27 -0.13 -0.26 0.45 -1.46 0.00 0.00 175.22 174.10 3g5u s SER 396 N 0.64 3.21 1.05 6.13 0.15 -1.26 -1.08 113.70 122.54 3g5u s SER 396 Ca -0.01 -0.56 -0.19 0.00 0.70 0.00 0.00 55.95 55.88 3g5u s SER 396 Cb -0.04 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 3g5u s SER 396 CO -0.12 0.27 -0.32 -1.22 1.20 0.00 0.00 173.24 173.04 3g5u n TYR 397 N 1.84 -1.78 -0.06 3.44 0.53 -1.26 -4.77 117.16 115.09 3g5u n TYR 397 Ca -0.17 0.25 0.22 0.00 -1.02 0.00 0.00 57.90 57.18 3g5u n TYR 397 Cb 0.52 -1.56 0.68 0.00 -1.03 0.00 0.00 39.34 37.95 3g5u n TYR 397 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 3g5u h PRO 398 N -1.64 0.05 -4.79 -0.72 0.13 -1.99 -3.33 132.00 119.71 3g5u h PRO 398 Ca -0.48 -0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 3g5u h PRO 398 Cb 1.35 -0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.53 3g5u h PRO 398 CO 0.32 0.03 1.74 0.43 -0.23 0.00 0.00 178.00 180.29 3g5u n SER 399 N -4.36 2.04 0.00 1.44 7.64 -1.26 -4.80 113.62 114.31 3g5u n SER 399 Ca 0.12 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.39 3g5u n SER 399 Cb 0.69 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 3g5u n SER 399 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3g5u n ARG 400 N 7.52 0.00 -0.00 1.43 3.00 -1.25 -2.17 116.66 125.19 3g5u n ARG 400 Ca 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.33 3g5u n ARG 400 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.87 3g5u n ARG 400 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3g5u n LYS 401 N 0.00 3.55 -1.11 -0.14 0.00 -1.26 -5.05 118.16 114.15 3g5u n LYS 401 Ca 0.00 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 3g5u n LYS 401 Cb 0.00 -0.78 0.10 0.00 -0.00 0.00 0.00 35.03 34.35 3g5u n LYS 401 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3g5u n GLU 402 N -1.27 0.14 -1.63 -1.58 4.71 -0.92 -4.84 120.64 115.25 3g5u n GLU 402 Ca 0.00 0.10 -0.39 0.00 -0.01 0.00 0.00 57.16 56.86 3g5u n GLU 402 Cb 0.03 -2.01 0.03 0.00 -1.01 0.00 0.00 31.44 28.47 3g5u n GLU 402 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3g5u n VAL 403 N -2.92 3.07 -2.02 2.62 3.14 -1.26 -4.69 118.33 116.27 3g5u n VAL 403 Ca 0.10 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.72 3g5u n VAL 403 Cb 0.51 -1.22 -0.06 0.00 -1.06 0.00 0.00 33.84 32.01 3g5u n VAL 403 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g5u s GLN 404 N -2.41 2.45 0.22 1.45 0.00 -1.26 -4.47 119.66 115.63 3g5u s GLN 404 Ca 0.69 -0.53 -0.08 0.00 -0.00 0.00 0.00 55.36 55.44 3g5u s GLN 404 Cb -0.48 -5.10 0.33 0.00 0.00 0.00 0.00 33.01 27.76 3g5u s GLN 404 CO 0.52 -3.68 1.26 -0.89 0.00 0.00 0.00 175.29 172.50 3g5u n ILE 405 N 7.93 -0.36 -2.83 3.63 -0.00 -0.24 -1.07 119.36 126.43 3g5u n ILE 405 Ca 0.42 1.86 -0.43 0.00 -0.00 0.00 0.00 62.75 64.60 3g5u n ILE 405 Cb 0.47 -2.55 -0.03 0.00 -0.00 0.00 0.00 39.64 37.53 3g5u n ILE 405 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3g5u s LEU 406 N -10.58 4.59 -0.12 1.39 2.01 -0.71 -4.56 118.68 110.70 3g5u s LEU 406 Ca -0.12 -1.78 0.00 0.00 0.01 0.00 0.00 54.13 52.24 3g5u s LEU 406 Cb 0.21 -2.44 0.12 0.00 0.01 0.00 0.00 46.19 44.08 3g5u s LEU 406 CO 0.62 -1.22 1.59 2.29 1.01 0.00 0.00 176.35 180.64 3g5u n LYS 407 N 7.26 1.31 0.00 1.70 2.85 -0.23 0.78 118.16 131.83 3g5u n LYS 407 Ca 0.23 -0.66 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 3g5u n LYS 407 Cb 0.49 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 3g5u n LYS 407 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3g5u n GLY 408 N 0.57 0.02 3.19 2.58 0.00 -1.22 -4.95 105.19 105.38 3g5u n GLY 408 Ca 0.13 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3g5u n GLY 408 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g5u s LEU 409 N 0.00 2.07 0.07 0.99 1.98 -0.69 -4.84 118.68 118.25 3g5u s LEU 409 Ca 0.00 -0.37 0.08 0.00 -2.89 0.00 0.00 54.13 50.95 3g5u s LEU 409 Cb 0.00 -0.93 -0.03 0.00 0.66 0.00 0.00 46.19 45.89 3g5u s LEU 409 CO 0.00 0.20 -0.22 0.20 -1.89 0.00 0.00 176.35 174.64 3g5u s ASN 410 N -0.60 2.66 -0.25 3.68 0.01 -1.26 -0.43 114.94 118.75 3g5u s ASN 410 Ca 0.07 -0.60 -0.29 0.00 -0.71 0.00 0.00 52.86 51.33 3g5u s ASN 410 Cb -0.07 -0.20 0.17 0.00 0.41 0.00 0.00 41.25 41.56 3g5u s ASN 410 CO -0.00 0.15 1.26 -0.22 -1.51 0.00 0.00 177.10 176.78 3g5u s LEU 411 N -1.47 -0.13 0.04 0.60 0.20 0.34 -4.94 118.68 113.32 3g5u s LEU 411 Ca 0.08 0.15 -0.02 0.00 0.69 0.00 0.00 54.13 55.03 3g5u s LEU 411 Cb -0.09 1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 46.94 3g5u s LEU 411 CO 0.03 -0.12 -0.00 -1.59 -0.29 0.00 0.00 176.35 174.38 3g5u s LYS 412 N -1.01 0.50 -0.23 1.98 -2.85 -1.26 0.13 119.74 116.99 3g5u s LYS 412 Ca 0.06 -0.90 -0.07 0.00 -1.00 0.00 0.00 55.97 54.06 3g5u s LYS 412 Cb -0.01 0.18 0.11 0.00 -2.06 0.00 0.00 37.83 36.05 3g5u s LYS 412 CO -0.05 -0.10 0.48 0.54 0.10 0.00 0.00 175.35 176.32 3g5u s VAL 413 N -2.75 -0.74 1.21 1.79 0.11 -0.53 -4.96 120.40 114.53 3g5u s VAL 413 Ca -0.04 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.96 3g5u s VAL 413 Cb -0.00 -0.78 0.28 0.00 -1.53 0.00 0.00 36.38 34.35 3g5u s VAL 413 CO -0.06 0.03 0.80 0.29 -3.33 0.00 0.00 175.10 172.84 3g5u n LYS 414 N 5.40 -2.70 -1.35 1.54 4.01 -1.26 -1.74 118.16 122.05 3g5u n LYS 414 Ca -0.08 -0.77 -0.30 0.00 -0.51 0.00 0.00 58.31 56.65 3g5u n LYS 414 Cb 0.49 -2.04 0.21 0.00 -0.51 0.00 0.00 35.03 33.19 3g5u n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3g5u s SER 415 N -2.33 1.82 0.00 4.39 1.04 -1.26 -3.79 113.70 113.57 3g5u s SER 415 Ca 0.66 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.69 3g5u s SER 415 Cb -0.22 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.06 3g5u s SER 415 CO 0.65 -3.56 0.00 0.61 0.98 0.00 0.00 173.24 171.92 3g5u n GLY 416 N -1.82 0.00 0.00 7.32 0.00 -1.26 -4.80 105.19 104.63 3g5u n GLY 416 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3g5u n GLY 416 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g5u n GLN 417 N -0.09 0.02 -3.65 1.61 6.02 -1.25 -4.54 117.38 115.49 3g5u n GLN 417 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3g5u n GLN 417 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 3g5u n GLN 417 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3g5u s THR 418 N -0.94 -0.67 -0.10 5.09 -4.23 -1.26 -1.64 115.64 111.89 3g5u s THR 418 Ca 0.00 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 3g5u s THR 418 Cb 0.00 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 3g5u s THR 418 CO 0.00 0.02 -0.07 0.54 -0.54 0.00 0.00 174.62 174.57 3g5u s VAL 419 N 2.49 3.69 -0.21 2.29 0.11 0.38 -1.86 120.40 127.30 3g5u s VAL 419 Ca -0.06 -0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 3g5u s VAL 419 Cb -0.10 -2.55 -0.05 0.00 -1.53 0.00 0.00 36.38 32.15 3g5u s VAL 419 CO -0.17 0.56 0.18 0.00 -3.33 0.00 0.00 175.10 172.34 3g5u s ALA 420 N -0.31 3.63 -0.20 1.54 0.00 0.78 0.35 121.76 127.55 3g5u s ALA 420 Ca 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 3g5u s ALA 420 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3g5u s ALA 420 CO 0.02 -0.04 0.09 -0.51 0.00 0.00 0.00 175.76 175.33 3g5u s LEU 421 N 0.76 3.90 -0.27 0.00 1.02 0.26 -1.69 118.68 122.65 3g5u s LEU 421 Ca 0.10 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.34 3g5u s LEU 421 Cb -0.13 -2.01 0.06 0.00 0.02 0.00 0.00 46.19 44.13 3g5u s LEU 421 CO 0.02 0.13 -0.08 0.68 0.02 0.00 0.00 176.35 177.12 3g5u s VAL 422 N 0.66 2.41 0.20 -1.59 -7.23 -0.74 -2.60 120.40 111.50 3g5u s VAL 422 Ca 0.05 -1.56 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 3g5u s VAL 422 Cb -0.13 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 3g5u s VAL 422 CO 0.01 -0.05 0.19 0.61 -0.31 0.00 0.00 175.10 175.55 3g5u n GLY 423 N 4.49 3.23 2.01 2.32 0.00 -1.25 0.15 105.19 116.13 3g5u n GLY 423 Ca -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3g5u n GLY 423 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g5u n ASN 424 N -2.16 -0.11 -0.90 1.61 5.15 -1.26 -4.79 115.26 112.79 3g5u n ASN 424 Ca 0.04 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3g5u n ASN 424 Cb 0.35 0.48 0.00 0.00 -0.53 0.00 0.00 39.78 40.08 3g5u n ASN 424 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3g5u n SER 425 N -2.53 1.30 0.00 1.20 3.41 -1.26 -4.77 113.62 110.97 3g5u n SER 425 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3g5u n SER 425 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3g5u n SER 425 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g5u n GLY 426 N 0.66 -1.83 1.73 5.00 0.00 -1.26 -4.18 105.19 105.31 3g5u n GLY 426 Ca 0.00 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 3g5u n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n GLY 428 N 1.03 0.01 0.08 0.00 0.00 -1.26 -1.69 105.19 103.37 3g5u n GLY 428 Ca 0.09 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3g5u n GLY 428 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g5u h LYS 429 N 0.00 0.13 -0.66 1.61 5.09 -1.97 -1.15 116.57 119.63 3g5u h LYS 429 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 3g5u h LYS 429 Cb 0.00 -0.03 -0.03 0.00 0.10 0.00 0.00 32.23 32.27 3g5u h LYS 429 CO 0.00 0.09 0.37 0.66 -2.09 0.00 0.00 179.45 178.48 3g5u h SER 430 N 0.14 0.80 0.12 7.07 4.64 -1.91 -2.37 113.55 122.04 3g5u h SER 430 Ca 0.05 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3g5u h SER 430 Cb 0.00 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 3g5u h SER 430 CO -0.03 0.64 -0.51 0.74 -0.87 0.00 0.00 176.83 176.81 3g5u h THR 431 N 0.91 0.00 -0.80 2.95 2.02 -1.60 0.14 112.91 116.53 3g5u h THR 431 Ca 0.24 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.56 3g5u h THR 431 Cb 0.01 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.27 3g5u h THR 431 CO -0.04 0.00 -0.27 0.71 0.37 0.00 0.00 175.52 176.29 3g5u h THR 432 N -0.72 0.14 -0.81 3.16 1.35 -0.82 0.20 112.91 115.41 3g5u h THR 432 Ca -0.01 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 3g5u h THR 432 Cb 0.72 0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.19 3g5u h THR 432 CO -0.27 0.00 -0.48 0.52 -0.25 0.00 0.00 175.52 175.04 3g5u n VAL 433 N -5.50 -0.55 0.04 6.82 0.31 -0.03 -1.06 118.33 118.36 3g5u n VAL 433 Ca 0.10 2.09 -0.12 0.00 -0.01 0.00 0.00 64.34 66.40 3g5u n VAL 433 Cb 0.40 -2.60 -0.07 0.00 -0.91 0.00 0.00 33.84 30.66 3g5u n VAL 433 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3g5u h GLN 434 N 0.00 -0.48 0.00 5.55 4.20 0.08 -0.89 115.11 123.57 3g5u h GLN 434 Ca 0.13 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3g5u h GLN 434 Cb 0.33 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3g5u h GLN 434 CO -0.76 -0.32 0.55 -0.07 -0.67 0.00 0.00 178.83 177.56 3g5u h LEU 435 N -0.50 0.00 -0.06 1.46 -0.00 -0.40 0.58 115.31 116.40 3g5u h LEU 435 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3g5u h LEU 435 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3g5u h LEU 435 CO -0.27 0.00 -0.06 0.80 -0.00 0.00 0.00 178.44 178.91 3g5u n MET 436 N -2.15 0.38 -0.12 1.13 1.56 -0.34 -2.91 117.12 114.67 3g5u n MET 436 Ca -0.01 -0.06 0.07 0.00 -0.27 0.00 0.00 57.70 57.44 3g5u n MET 436 Cb 0.56 -1.50 0.12 0.00 2.15 0.00 0.00 33.22 34.56 3g5u n MET 436 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3g5u n GLN 437 N -1.26 2.04 -0.74 2.12 6.02 0.20 -4.94 117.38 120.83 3g5u n GLN 437 Ca 0.12 -2.32 0.00 0.00 -0.01 0.00 0.00 57.00 54.79 3g5u n GLN 437 Cb 0.28 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3g5u n GLN 437 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3g5u n ARG 438 N -0.95 -1.54 -0.30 -1.09 0.00 -1.15 -4.74 116.66 106.91 3g5u n ARG 438 Ca 0.13 0.32 0.20 0.00 -0.00 0.00 0.00 57.85 58.49 3g5u n ARG 438 Cb 0.57 -4.43 0.37 0.00 0.00 0.00 0.00 32.46 28.97 3g5u n ARG 438 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3g5u n LEU 439 N 0.00 0.07 -3.89 6.15 -0.00 -1.24 -4.00 117.00 114.10 3g5u n LEU 439 Ca 0.00 1.49 -0.15 0.00 -0.00 0.00 0.00 56.01 57.35 3g5u n LEU 439 Cb 0.32 -0.62 -0.15 0.00 -0.00 0.00 0.00 43.42 42.97 3g5u n LEU 439 CO 0.00 -1.57 -0.38 -0.31 -0.00 0.00 0.00 177.39 175.12 3g5u s TYR 440 N -5.63 0.29 0.63 1.96 1.51 -1.26 -4.71 117.35 110.14 3g5u s TYR 440 Ca -0.10 -0.04 -0.16 0.00 -1.01 0.00 0.00 57.07 55.77 3g5u s TYR 440 Cb 0.28 -0.25 -0.01 0.00 -0.11 0.00 0.00 41.96 41.86 3g5u s TYR 440 CO 0.69 -0.04 1.10 0.34 -1.11 0.00 0.00 175.55 176.52 3g5u s ASP 441 N 0.25 5.35 0.13 2.29 2.15 -1.26 -4.61 116.67 120.98 3g5u s ASP 441 Ca -0.02 1.96 -0.31 0.00 0.43 0.00 0.00 52.55 54.61 3g5u s ASP 441 Cb -0.05 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.94 3g5u s ASP 441 CO -0.01 -1.47 1.40 -2.16 -0.17 0.00 0.00 175.17 172.76 3g5u s PRO 442 N -4.03 4.32 0.17 4.34 0.04 -1.26 -4.91 135.00 133.67 3g5u s PRO 442 Ca 0.66 2.10 -0.14 0.00 0.04 0.00 0.00 61.00 63.67 3g5u s PRO 442 Cb -0.19 -3.23 0.13 0.00 0.04 0.00 0.00 34.50 31.24 3g5u s PRO 442 CO 0.39 -0.43 1.76 1.25 0.04 0.00 0.00 177.00 180.01 3g5u h LEU 443 N 6.58 0.24 -7.62 -3.56 6.46 -1.82 -3.45 115.31 112.14 3g5u h LEU 443 Ca -0.43 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.31 3g5u h LEU 443 Cb 1.21 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 41.01 3g5u h LEU 443 CO 0.86 0.17 -0.23 -0.62 -0.62 0.00 0.00 178.44 177.99 3g5u s ASP 444 N -5.42 -0.04 0.02 1.25 2.15 0.11 -4.94 116.67 109.79 3g5u s ASP 444 Ca -0.13 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.35 3g5u s ASP 444 Cb 0.14 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 3g5u s ASP 444 CO 0.73 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 3g5u n GLY 445 N -0.14 0.35 0.00 2.66 0.00 -1.18 -1.51 105.19 105.38 3g5u n GLY 445 Ca -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3g5u n GLY 445 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3g5u n MET 446 N 11.65 -2.12 -4.12 1.61 0.00 -0.54 -4.92 117.12 118.68 3g5u n MET 446 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 3g5u n MET 446 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 3g5u n MET 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3g5u s VAL 447 N -2.00 0.57 -0.00 3.17 0.11 -1.26 -0.88 120.40 120.10 3g5u s VAL 447 Ca 0.00 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.45 3g5u s VAL 447 Cb 0.00 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3g5u s VAL 447 CO 0.00 -0.71 -0.00 -0.55 -3.33 0.00 0.00 175.10 170.51 3g5u s SER 448 N -2.49 0.08 0.12 3.54 0.15 -0.47 -1.50 113.70 113.13 3g5u s SER 448 Ca 0.03 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.70 3g5u s SER 448 Cb -0.00 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 3g5u s SER 448 CO -0.03 -0.01 0.23 -0.51 1.20 0.00 0.00 173.24 174.11 3g5u s ILE 449 N 0.12 5.16 0.00 6.45 1.10 0.16 -0.37 121.20 133.81 3g5u s ILE 449 Ca -0.01 -0.67 0.00 0.00 -0.51 0.00 0.00 60.65 59.46 3g5u s ILE 449 Cb -0.02 -3.60 0.00 0.00 0.15 0.00 0.00 42.46 38.99 3g5u s ILE 449 CO -0.00 -0.02 0.00 -0.67 -2.11 0.00 0.00 174.94 172.14 3g5u n ASP 450 N -0.22 0.00 -0.08 4.50 4.64 -0.63 0.57 116.55 125.32 3g5u n ASP 450 Ca -0.07 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.39 3g5u n ASP 450 Cb 0.53 0.00 0.06 0.00 -1.04 0.00 0.00 41.12 40.67 3g5u n ASP 450 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3g5u n GLY 451 N 0.00 3.14 3.94 0.27 0.00 -1.26 -2.76 105.19 108.53 3g5u n GLY 451 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 3g5u n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g5u s GLN 452 N -1.67 2.94 -0.19 1.61 -0.21 0.19 -5.02 119.66 117.31 3g5u s GLN 452 Ca 0.14 -1.15 -0.26 0.00 0.02 0.00 0.00 55.36 54.12 3g5u s GLN 452 Cb 0.13 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 3g5u s GLN 452 CO 0.01 0.03 0.86 0.34 -2.12 0.00 0.00 175.29 174.42 3g5u s ASP 453 N -4.13 6.95 0.01 5.90 -1.08 -1.26 0.36 116.67 123.42 3g5u s ASP 453 Ca 0.45 1.17 -0.02 0.00 -0.52 0.00 0.00 52.55 53.63 3g5u s ASP 453 Cb -0.08 -2.46 -0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3g5u s ASP 453 CO 0.30 -0.47 0.72 0.00 0.52 0.00 0.00 175.17 176.24 3g5u n ILE 454 N 4.94 -0.04 -0.27 4.11 3.06 -0.56 0.09 119.36 130.69 3g5u n ILE 454 Ca 0.06 1.09 0.22 0.00 -2.50 0.00 0.00 62.75 61.62 3g5u n ILE 454 Cb 0.48 -1.44 0.41 0.00 0.54 0.00 0.00 39.64 39.64 3g5u n ILE 454 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3g5u n ARG 455 N -2.89 -0.05 -0.28 9.51 1.74 -1.26 -0.47 116.66 122.96 3g5u n ARG 455 Ca 0.00 1.15 -0.03 0.00 -0.77 0.00 0.00 57.85 58.20 3g5u n ARG 455 Cb 0.02 -2.00 0.12 0.00 -1.02 0.00 0.00 32.46 29.57 3g5u n ARG 455 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3g5u h THR 456 N 0.00 1.25 -4.33 0.55 1.35 -0.73 -3.44 112.91 107.56 3g5u h THR 456 Ca 0.64 -0.66 -0.49 0.00 -0.55 0.00 0.00 66.41 65.34 3g5u h THR 456 Cb 1.61 0.18 0.10 0.00 -1.73 0.00 0.00 68.15 68.31 3g5u h THR 456 CO -0.67 0.29 0.36 0.27 -0.25 0.00 0.00 175.52 175.52 3g5u s ILE 457 N -5.70 3.30 0.21 6.82 -4.36 0.38 -4.08 121.20 117.78 3g5u s ILE 457 Ca -0.12 0.42 -0.30 0.00 -0.26 0.00 0.00 60.65 60.40 3g5u s ILE 457 Cb 0.17 -3.21 -0.08 0.00 1.25 0.00 0.00 42.46 40.58 3g5u s ILE 457 CO 0.82 -0.55 1.11 0.21 0.24 0.00 0.00 174.94 176.77 3g5u s ASN 458 N -3.97 7.25 0.00 4.36 3.84 -1.25 -4.61 114.94 120.55 3g5u s ASN 458 Ca 0.60 2.16 0.00 0.00 0.21 0.00 0.00 52.86 55.83 3g5u s ASN 458 Cb -0.14 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 3g5u s ASN 458 CO 0.54 -0.21 0.49 0.52 -2.79 0.00 0.00 177.10 175.64 3g5u n VAL 459 N 2.04 0.00 -0.17 -5.21 0.31 -1.26 0.24 118.33 114.28 3g5u n VAL 459 Ca 0.02 0.99 0.16 0.00 -0.01 0.00 0.00 64.34 65.50 3g5u n VAL 459 Cb 0.46 -1.82 0.30 0.00 -0.91 0.00 0.00 33.84 31.87 3g5u n VAL 459 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3g5u n ARG 460 N -0.65 -0.03 0.34 5.55 0.63 -1.26 0.44 116.66 121.68 3g5u n ARG 460 Ca 0.00 0.73 -0.14 0.00 -0.92 0.00 0.00 57.85 57.52 3g5u n ARG 460 Cb 0.00 -1.30 -0.07 0.00 0.45 0.00 0.00 32.46 31.55 3g5u n ARG 460 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 3g5u h TYR 461 N 0.00 -0.83 0.00 -0.14 5.03 -1.83 -2.12 116.97 117.08 3g5u h TYR 461 Ca 0.44 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.73 3g5u h TYR 461 Cb 1.15 0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.70 3g5u h TYR 461 CO -0.02 -0.51 0.00 -0.11 -1.32 0.00 0.00 178.16 176.20 3g5u n LEU 462 N -5.37 0.00 -0.42 2.82 7.94 1.53 -0.30 117.00 123.19 3g5u n LEU 462 Ca -0.11 0.83 0.36 0.00 -1.11 0.00 0.00 56.01 55.97 3g5u n LEU 462 Cb 0.36 -0.33 0.60 0.00 0.53 0.00 0.00 43.42 44.57 3g5u n LEU 462 CO 0.28 -0.33 1.08 0.54 -1.11 0.00 0.00 177.39 177.84 3g5u n ARG 463 N -2.20 -0.03 0.23 1.96 5.12 -0.36 0.22 116.66 121.60 3g5u n ARG 463 Ca 0.00 1.09 -0.10 0.00 -1.93 0.00 0.00 57.85 56.91 3g5u n ARG 463 Cb 0.00 -2.16 -0.05 0.00 -1.16 0.00 0.00 32.46 29.09 3g5u n ARG 463 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3g5u h GLU 464 N 0.00 -0.61 0.00 5.56 5.08 0.06 -3.18 114.58 121.48 3g5u h GLU 464 Ca 0.77 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.17 3g5u h GLU 464 Cb 2.51 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.90 3g5u h GLU 464 CO -0.40 -0.41 0.00 -0.89 -1.00 0.00 0.00 179.01 176.32 3g5u n ILE 465 N -4.87 0.00 -3.77 3.13 2.08 0.13 -4.07 119.36 111.99 3g5u n ILE 465 Ca -0.08 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.94 3g5u n ILE 465 Cb 0.25 -0.82 -0.13 0.00 -0.75 0.00 0.00 39.64 38.19 3g5u n ILE 465 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3g5u s ILE 466 N -1.82 1.74 0.29 1.39 1.01 -0.79 -2.75 121.20 120.28 3g5u s ILE 466 Ca 0.00 -2.85 -0.30 0.00 0.00 0.00 0.00 60.65 57.51 3g5u s ILE 466 Cb 0.00 -2.21 -0.11 0.00 0.01 0.00 0.00 42.46 40.15 3g5u s ILE 466 CO 0.00 -0.89 1.50 -0.83 0.00 0.00 0.00 174.94 174.72 3g5u s GLY 467 N 0.08 2.36 -0.05 6.18 0.00 0.18 -4.90 107.32 111.17 3g5u s GLY 467 Ca 0.18 1.46 -0.03 0.00 0.00 0.00 0.00 44.72 46.33 3g5u s GLY 467 CO -0.01 2.37 0.11 0.14 0.00 0.00 0.00 173.10 175.70 3g5u s VAL 468 N -0.22 -0.03 -0.18 1.40 1.01 -1.26 -1.66 120.40 119.46 3g5u s VAL 468 Ca 0.59 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 3g5u s VAL 468 Cb -0.45 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 35.82 3g5u s VAL 468 CO 0.48 0.04 0.09 -0.69 0.00 0.00 0.00 175.10 175.02 3g5u s VAL 469 N 0.59 -0.04 0.36 2.92 1.01 -0.84 -4.92 120.40 119.48 3g5u s VAL 469 Ca -0.04 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3g5u s VAL 469 Cb -0.06 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.75 3g5u s VAL 469 CO -0.03 -0.30 0.50 -1.54 0.00 0.00 0.00 175.10 173.73 3g5u n SER 470 N 5.26 1.34 0.00 3.32 3.41 -1.26 -1.92 113.62 123.77 3g5u n SER 470 Ca -0.07 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3g5u n SER 470 Cb 0.48 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3g5u n SER 470 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g5u n GLN 471 N -1.78 0.00 -0.50 4.33 0.00 -1.18 -4.43 117.38 113.82 3g5u n GLN 471 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.94 3g5u n GLN 471 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.57 3g5u n GLN 471 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3g5u n GLU 472 N 0.00 0.00 -2.97 2.61 4.07 -1.26 -4.76 120.64 118.33 3g5u n GLU 472 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3g5u n GLU 472 Cb 0.00 -0.52 -0.05 0.00 -0.06 0.00 0.00 31.44 30.80 3g5u n GLU 472 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3g5u s PRO 473 N 2.82 3.55 -0.14 5.31 0.04 -1.26 -5.02 135.00 140.31 3g5u s PRO 473 Ca 0.46 0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.48 3g5u s PRO 473 Cb -0.47 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 3g5u s PRO 473 CO 0.19 -1.00 0.13 0.54 0.04 0.00 0.00 177.00 176.90 3g5u s VAL 474 N 3.19 5.42 -0.06 -0.36 0.11 -1.26 -4.75 120.40 122.69 3g5u s VAL 474 Ca 0.30 0.18 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 3g5u s VAL 474 Cb -0.13 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 3g5u s VAL 474 CO 0.20 0.57 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.70 3g5u s LEU 475 N -0.67 1.49 0.75 2.54 1.43 -1.26 -4.97 118.68 117.98 3g5u s LEU 475 Ca 0.13 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3g5u s LEU 475 Cb -0.12 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.49 3g5u s LEU 475 CO 0.02 -0.01 1.09 -0.36 0.23 0.00 0.00 176.35 177.33 3g5u s PHE 476 N 0.81 2.59 -0.83 0.29 0.40 -1.26 -1.27 117.98 118.71 3g5u s PHE 476 Ca -0.12 1.55 -0.25 0.00 -0.60 0.00 0.00 56.93 57.51 3g5u s PHE 476 Cb -0.15 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 3g5u s PHE 476 CO 0.02 -1.77 1.92 0.00 0.70 0.00 0.00 175.22 176.09 3g5u s ALA 477 N -2.78 1.80 0.00 5.36 0.00 -1.26 -4.74 121.76 120.14 3g5u s ALA 477 Ca 0.62 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3g5u s ALA 477 Cb -0.18 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.45 3g5u s ALA 477 CO 0.53 -4.57 0.00 2.41 0.00 0.00 0.00 175.76 174.13 3g5u n THR 478 N 7.70 0.00 -1.87 0.00 -1.04 -1.26 -4.87 114.28 112.93 3g5u n THR 478 Ca 0.35 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.04 3g5u n THR 478 Cb 0.48 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.01 3g5u n THR 478 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3g5u s THR 479 N -2.71 4.31 0.09 12.58 -4.23 -1.26 -1.33 115.64 123.10 3g5u s THR 479 Ca 0.00 0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 61.08 3g5u s THR 479 Cb 0.00 -3.61 -0.13 0.00 1.34 0.00 0.00 72.50 70.10 3g5u s THR 479 CO 0.00 -0.88 1.66 0.40 -0.54 0.00 0.00 174.62 175.26 3g5u h ILE 480 N -0.17 0.53 -0.48 2.99 1.08 -0.48 -1.92 117.51 119.06 3g5u h ILE 480 Ca -0.45 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 3g5u h ILE 480 Cb 1.20 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 3g5u h ILE 480 CO 0.59 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.74 3g5u h ALA 481 N 0.16 -0.34 -1.02 1.87 0.00 -1.58 0.16 119.26 118.51 3g5u h ALA 481 Ca -0.02 0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.20 3g5u h ALA 481 Cb 0.45 1.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 3g5u h ALA 481 CO -0.02 -0.56 0.66 0.93 0.00 0.00 0.00 179.25 180.27 3g5u h GLU 482 N -0.04 0.39 0.01 0.00 4.39 -1.79 0.39 114.58 117.92 3g5u h GLU 482 Ca 0.08 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3g5u h GLU 482 Cb 0.24 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3g5u h GLU 482 CO -0.47 0.26 -0.00 -0.91 -1.16 0.00 0.00 179.01 176.72 3g5u h ASN 483 N 0.40 -0.01 -0.37 1.42 2.35 0.11 0.17 115.58 119.65 3g5u h ASN 483 Ca 0.57 -0.30 0.07 0.00 -0.55 0.00 0.00 56.30 56.10 3g5u h ASN 483 Cb 1.46 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.76 3g5u h ASN 483 CO -0.27 0.29 -0.06 0.40 -1.65 0.00 0.00 177.43 176.14 3g5u h ILE 484 N -0.31 0.66 -0.99 2.81 5.03 -0.13 0.45 117.51 125.04 3g5u h ILE 484 Ca -0.00 -0.01 0.21 0.00 -0.12 0.00 0.00 64.86 64.94 3g5u h ILE 484 Cb 0.30 0.62 -0.10 0.00 -3.03 0.00 0.00 36.82 34.62 3g5u h ILE 484 CO 0.00 0.01 0.62 -0.09 -0.68 0.00 0.00 178.15 178.01 3g5u h ARG 485 N 0.04 0.57 -0.98 2.37 9.65 0.00 1.44 114.38 127.47 3g5u h ARG 485 Ca 0.18 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.10 3g5u h ARG 485 Cb 0.27 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.65 3g5u h ARG 485 CO -0.35 0.38 0.63 1.88 2.80 0.00 0.00 179.97 185.30 3g5u h TYR 486 N 0.59 1.14 -0.79 2.20 0.99 0.29 0.69 116.97 122.09 3g5u h TYR 486 Ca 0.56 0.03 0.14 0.00 2.00 0.00 0.00 58.73 61.46 3g5u h TYR 486 Cb 1.12 -0.37 -0.09 0.00 1.00 0.00 0.00 36.73 38.38 3g5u h TYR 486 CO -0.00 0.57 0.36 0.78 -0.00 0.00 0.00 178.16 179.86 3g5u h GLY 487 N 1.10 1.23 -6.59 3.88 0.00 0.28 -3.39 103.07 99.57 3g5u h GLY 487 Ca 0.43 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.34 3g5u h GLY 487 CO -0.18 -0.06 -0.54 -1.60 0.00 0.00 0.00 176.54 174.15 3g5u s ARG 488 N -6.00 0.28 0.00 4.80 3.52 0.24 -4.61 118.95 117.17 3g5u s ARG 488 Ca -0.12 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 3g5u s ARG 488 Cb 0.21 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 3g5u s ARG 488 CO 0.77 -0.64 0.16 0.39 -0.81 0.00 0.00 175.30 175.17 3g5u n GLU 489 N 5.34 0.00 -2.13 5.12 4.71 -0.83 -4.20 120.64 128.66 3g5u n GLU 489 Ca -0.05 0.16 -0.41 0.00 -0.01 0.00 0.00 57.16 56.85 3g5u n GLU 489 Cb 0.50 -0.65 -0.03 0.00 -1.01 0.00 0.00 31.44 30.25 3g5u n GLU 489 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 3g5u s ASP 490 N -2.93 6.79 0.00 1.62 1.47 -1.26 -4.90 116.67 117.47 3g5u s ASP 490 Ca 0.00 2.51 0.00 0.00 1.18 0.00 0.00 52.55 56.24 3g5u s ASP 490 Cb 0.00 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 3g5u s ASP 490 CO 0.00 -0.60 0.00 0.55 0.68 0.00 0.00 175.17 175.80 3g5u n VAL 491 N 2.50 0.00 -3.80 2.11 3.14 -1.26 -5.12 118.33 115.90 3g5u n VAL 491 Ca 0.06 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.07 3g5u n VAL 491 Cb 0.42 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.14 3g5u n VAL 491 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3g5u s THR 492 N -0.42 5.41 0.07 1.55 2.01 -1.26 -4.91 115.64 118.09 3g5u s THR 492 Ca 0.00 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.36 3g5u s THR 492 Cb 0.00 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 69.07 3g5u s THR 492 CO 0.00 0.61 0.80 1.15 -0.69 0.00 0.00 174.62 176.49 3g5u n MET 493 N 1.99 0.02 0.07 4.92 0.00 -1.26 0.48 117.12 123.35 3g5u n MET 493 Ca -0.19 0.35 -0.19 0.00 0.00 0.00 0.00 57.70 57.67 3g5u n MET 493 Cb 0.54 -2.10 -0.10 0.00 0.00 0.00 0.00 33.22 31.56 3g5u n MET 493 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3g5u h ASP 494 N 0.00 0.78 -0.04 3.17 3.32 -1.97 0.68 116.42 122.36 3g5u h ASP 494 Ca 0.00 -0.67 -0.12 0.00 0.02 0.00 0.00 57.03 56.25 3g5u h ASP 494 Cb 1.06 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.38 3g5u h ASP 494 CO 0.00 1.48 -0.45 -0.33 -1.72 0.00 0.00 179.24 178.22 3g5u h GLU 495 N 0.29 0.37 0.12 3.56 3.07 1.06 -1.54 114.58 121.51 3g5u h GLU 495 Ca -0.14 -0.35 0.01 0.00 -0.50 0.00 0.00 59.36 58.38 3g5u h GLU 495 Cb 1.78 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.75 3g5u h GLU 495 CO 0.21 1.01 -0.21 0.82 -1.40 0.00 0.00 179.01 179.44 3g5u h ILE 496 N -0.15 0.53 -0.90 3.13 5.03 -1.23 0.94 117.51 124.86 3g5u h ILE 496 Ca -0.05 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.81 3g5u h ILE 496 Cb 1.14 0.53 -0.13 0.00 -3.03 0.00 0.00 36.82 35.33 3g5u h ILE 496 CO 0.09 0.00 -0.48 -0.08 -0.68 0.00 0.00 178.15 177.00 3g5u h GLU 497 N -0.40 -0.05 -0.45 2.37 4.81 0.38 1.49 114.58 122.73 3g5u h GLU 497 Ca 0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3g5u h GLU 497 Cb 0.42 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 3g5u h GLU 497 CO -0.11 -0.03 0.19 -0.22 -0.73 0.00 0.00 179.01 178.10 3g5u h LYS 498 N -0.05 0.37 0.27 1.92 3.11 -0.07 -1.61 116.57 120.49 3g5u h LYS 498 Ca 0.24 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.05 3g5u h LYS 498 Cb 0.52 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 3g5u h LYS 498 CO -0.90 0.24 -0.38 0.00 -2.81 0.00 0.00 179.45 175.60 3g5u h ALA 499 N 1.28 -0.99 -0.05 5.00 0.00 0.95 -0.15 119.26 125.30 3g5u h ALA 499 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g5u h ALA 499 Cb 0.17 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3g5u h ALA 499 CO -0.19 -1.04 -0.17 -0.39 0.00 0.00 0.00 179.25 177.47 3g5u h VAL 500 N -0.67 0.00 -1.19 0.00 -1.51 -0.28 0.97 116.25 113.56 3g5u h VAL 500 Ca -0.03 0.00 0.42 0.00 -1.23 0.00 0.00 66.70 65.86 3g5u h VAL 500 Cb 0.61 0.00 -0.15 0.00 -2.13 0.00 0.00 31.29 29.62 3g5u h VAL 500 CO -0.10 0.00 0.73 0.50 -1.23 0.00 0.00 177.57 177.46 3g5u h LYS 501 N -0.17 0.08 -0.20 5.19 3.64 -1.20 3.64 116.57 127.54 3g5u h LYS 501 Ca 0.01 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3g5u h LYS 501 Cb 0.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3g5u h LYS 501 CO -0.14 0.05 -0.42 1.49 -2.27 0.00 0.00 179.45 178.16 3g5u h GLU 502 N 0.08 0.48 -1.06 1.90 4.81 0.81 -2.64 114.58 118.97 3g5u h GLU 502 Ca 0.83 -0.25 -0.65 0.00 -0.13 0.00 0.00 59.36 59.17 3g5u h GLU 502 Cb 2.41 0.01 -0.28 0.00 0.63 0.00 0.00 28.75 31.52 3g5u h GLU 502 CO -0.56 0.82 0.84 0.00 -0.73 0.00 0.00 179.01 179.38 3g5u n ALA 503 N -2.50 6.23 -3.76 2.92 0.00 1.20 -4.90 120.51 119.71 3g5u n ALA 503 Ca -0.02 -3.31 -0.21 0.00 0.00 0.00 0.00 53.44 49.90 3g5u n ALA 503 Cb 0.52 -1.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 3g5u n ALA 503 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3g5u n ASN 504 N -0.79 -1.28 -0.00 0.00 6.94 -0.62 -4.71 115.26 114.79 3g5u n ASN 504 Ca 0.60 -0.64 0.01 0.00 -0.02 0.00 0.00 54.58 54.53 3g5u n ASN 504 Cb 0.65 -0.77 -0.01 0.00 -2.36 0.00 0.00 39.78 37.29 3g5u n ASN 504 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5u n ALA 505 N -2.90 2.12 0.21 -2.53 0.00 -0.97 -4.73 120.51 111.70 3g5u n ALA 505 Ca -0.08 -0.03 0.17 0.00 0.00 0.00 0.00 53.44 53.49 3g5u n ALA 505 Cb 0.29 -0.04 0.82 0.00 0.00 0.00 0.00 19.45 20.52 3g5u n ALA 505 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3g5u h TYR 506 N 0.00 0.00 0.18 0.00 3.20 -1.85 -2.82 116.97 115.68 3g5u h TYR 506 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3g5u h TYR 506 Cb 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3g5u h TYR 506 CO 0.00 0.00 -0.09 0.38 -1.64 0.00 0.00 178.16 176.81 3g5u h ASP 507 N 0.00 -0.20 -0.13 -2.11 3.04 -1.96 -3.14 116.42 111.92 3g5u h ASP 507 Ca 0.08 -0.09 -0.05 0.00 -3.24 0.00 0.00 57.03 53.73 3g5u h ASP 507 Cb 0.43 0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 38.76 3g5u h ASP 507 CO -0.00 0.31 -0.05 2.19 -2.04 0.00 0.00 179.24 179.65 3g5u h PHE 508 N -1.04 0.42 0.00 4.15 -5.15 -1.90 0.72 116.94 114.13 3g5u h PHE 508 Ca -0.02 -0.04 -0.04 0.00 -0.20 0.00 0.00 57.97 57.67 3g5u h PHE 508 Cb 0.28 -0.12 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 3g5u h PHE 508 CO 0.03 0.46 -0.17 -0.84 -2.00 0.00 0.00 178.31 175.78 3g5u h ILE 509 N 0.39 0.68 0.05 0.88 -0.00 -1.66 0.53 117.51 118.38 3g5u h ILE 509 Ca 0.08 -0.73 -0.11 0.00 -0.00 0.00 0.00 64.86 64.10 3g5u h ILE 509 Cb 0.33 1.46 -0.00 0.00 -0.00 0.00 0.00 36.82 38.61 3g5u h ILE 509 CO 0.01 0.17 -0.55 0.24 -0.00 0.00 0.00 178.15 178.02 3g5u h MET 510 N 0.00 0.10 -0.19 0.16 2.86 -0.87 -3.37 114.93 113.62 3g5u h MET 510 Ca -0.00 -0.17 -0.21 0.00 -2.06 0.00 0.00 59.70 57.25 3g5u h MET 510 Cb 0.44 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.17 3g5u h MET 510 CO 0.02 1.08 -0.71 -0.22 1.06 0.00 0.00 176.91 178.15 3g5u h LYS 511 N -0.77 0.82 -6.51 1.72 1.63 -1.00 -3.43 116.57 109.04 3g5u h LYS 511 Ca -0.12 -0.63 -0.60 0.00 -0.85 0.00 0.00 60.65 58.45 3g5u h LYS 511 Cb 1.29 0.12 0.09 0.00 -0.60 0.00 0.00 32.23 33.13 3g5u h LYS 511 CO 0.01 1.24 0.37 -0.11 -3.45 0.00 0.00 179.45 177.51 3g5u n LEU 512 N -3.96 2.36 -4.08 5.20 7.94 0.18 -4.88 117.00 119.76 3g5u n LEU 512 Ca -0.07 1.16 -0.26 0.00 -1.11 0.00 0.00 56.01 55.74 3g5u n LEU 512 Cb 0.71 -1.34 0.12 0.00 0.53 0.00 0.00 43.42 43.44 3g5u n LEU 512 CO 0.52 -0.97 -0.62 -0.81 -1.11 0.00 0.00 177.39 174.41 3g5u n PRO 513 N 1.39 -1.42 0.00 1.96 -0.04 -1.26 -3.41 135.00 132.21 3g5u n PRO 513 Ca 0.11 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 3g5u n PRO 513 Cb 0.30 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3g5u n PRO 513 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3g5u n HIS 514 N -4.13 0.00 -3.78 0.54 8.25 -1.26 -4.60 115.22 110.25 3g5u n HIS 514 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3g5u n HIS 514 Cb 0.50 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3g5u n HIS 514 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g5u n GLN 515 N -0.81 0.00 0.23 -0.41 1.13 -1.22 -3.58 117.38 112.72 3g5u n GLN 515 Ca 0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 3g5u n GLN 515 Cb 0.00 0.00 0.37 0.00 0.11 0.00 0.00 30.24 30.72 3g5u n GLN 515 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 3g5u h PHE 516 N 0.00 0.00 -0.00 1.08 0.04 -1.87 -2.70 116.94 113.49 3g5u h PHE 516 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3g5u h PHE 516 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3g5u h PHE 516 CO 0.00 0.05 -0.05 -0.25 -0.60 0.00 0.00 178.31 177.46 3g5u n ASP 517 N -3.13 0.19 -4.68 2.17 8.00 -1.24 -1.52 116.55 116.34 3g5u n ASP 517 Ca 0.02 -0.30 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 3g5u n ASP 517 Cb 0.46 -0.19 0.05 0.00 -0.02 0.00 0.00 41.12 41.42 3g5u n ASP 517 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3g5u n THR 518 N -1.17 4.12 -1.01 -3.53 -1.04 -1.02 -4.71 114.28 105.91 3g5u n THR 518 Ca 0.14 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 3g5u n THR 518 Cb 0.26 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3g5u n THR 518 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g5u n LEU 519 N -1.16 0.00 -3.07 -4.42 -0.00 -1.26 -1.81 117.00 105.29 3g5u n LEU 519 Ca 0.13 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.95 3g5u n LEU 519 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.85 3g5u n LEU 519 CO 0.50 0.00 -0.16 0.52 -0.00 0.00 0.00 177.39 178.25 3g5u n VAL 520 N 0.00 -0.48 0.00 1.47 0.31 -0.44 -4.64 118.33 114.55 3g5u n VAL 520 Ca 0.00 -3.35 0.00 0.00 -0.01 0.00 0.00 64.34 60.98 3g5u n VAL 520 Cb 0.00 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3g5u n VAL 520 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g5u n GLY 521 N 1.40 0.00 2.54 2.92 0.00 -1.26 -3.39 105.19 107.40 3g5u n GLY 521 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3g5u n GLY 521 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g5u n GLU 522 N 0.00 -4.07 -0.59 1.61 -0.58 -1.26 -4.48 120.64 111.26 3g5u n GLU 522 Ca 0.00 3.05 0.08 0.00 -0.42 0.00 0.00 57.16 59.87 3g5u n GLU 522 Cb 0.00 -4.11 -0.02 0.00 -0.57 0.00 0.00 31.44 26.74 3g5u n GLU 522 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3g5u n ARG 523 N 1.89 -1.20 -0.44 3.49 0.00 -1.22 -3.77 116.66 115.41 3g5u n ARG 523 Ca -0.21 0.80 -0.03 0.00 -0.00 0.00 0.00 57.85 58.41 3g5u n ARG 523 Cb 0.32 -1.46 -0.05 0.00 0.00 0.00 0.00 32.46 31.27 3g5u n ARG 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g5u n GLY 524 N -2.43 1.95 3.09 5.14 0.00 -0.39 -4.55 105.19 107.99 3g5u n GLY 524 Ca 0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3g5u n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u s ALA 525 N 1.20 3.48 0.00 4.61 0.00 -1.25 -4.70 121.76 125.10 3g5u s ALA 525 Ca 0.18 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 49.01 3g5u s ALA 525 Cb 0.09 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3g5u s ALA 525 CO 0.00 -2.04 0.00 0.94 0.00 0.00 0.00 175.76 174.66 3g5u n GLN 526 N 3.65 0.00 -4.45 0.00 7.27 -1.26 -4.15 117.38 118.43 3g5u n GLN 526 Ca 0.06 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.91 3g5u n GLN 526 Cb 0.38 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.92 3g5u n GLN 526 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 3g5u s LEU 527 N -1.13 2.32 0.17 1.69 2.34 -1.26 -5.06 118.68 117.75 3g5u s LEU 527 Ca 0.00 -1.31 -0.32 0.00 0.06 0.00 0.00 54.13 52.56 3g5u s LEU 527 Cb 0.00 -0.49 -0.11 0.00 -0.56 0.00 0.00 46.19 45.04 3g5u s LEU 527 CO 0.00 -0.52 1.70 -0.94 -1.06 0.00 0.00 176.35 175.54 3g5u s SER 528 N -3.48 6.46 0.56 1.48 1.04 -1.26 -4.76 113.70 113.73 3g5u s SER 528 Ca 0.34 2.76 0.47 0.00 0.48 0.00 0.00 55.95 59.99 3g5u s SER 528 Cb 0.07 -2.59 1.68 0.00 0.10 0.00 0.00 66.02 65.28 3g5u s SER 528 CO 0.14 -0.94 1.62 1.23 0.98 0.00 0.00 173.24 176.27 3g5u h GLY 529 N 7.31 0.00 0.13 7.32 0.00 -1.97 0.65 103.07 116.51 3g5u h GLY 529 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3g5u h GLY 529 CO 0.94 0.00 -0.22 -1.33 0.00 0.00 0.00 176.54 175.94 3g5u h GLY 530 N 0.00 -1.07 1.01 4.60 0.00 -1.95 0.16 103.07 105.82 3g5u h GLY 530 Ca 0.85 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 48.66 3g5u h GLY 530 CO -0.01 -0.35 0.39 1.46 0.00 0.00 0.00 176.54 178.03 3g5u h GLN 531 N -0.37 1.07 -0.21 4.80 4.20 -0.14 -1.67 115.11 122.79 3g5u h GLN 531 Ca -0.01 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.58 3g5u h GLN 531 Cb 0.34 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3g5u h GLN 531 CO -0.07 0.81 -0.24 0.87 -0.67 0.00 0.00 178.83 179.52 3g5u h LYS 532 N 1.05 -0.14 -0.90 1.46 1.57 -0.84 1.03 116.57 119.80 3g5u h LYS 532 Ca 0.26 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.30 3g5u h LYS 532 Cb 0.07 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.27 3g5u h LYS 532 CO -0.04 -0.10 0.27 0.37 -0.57 0.00 0.00 179.45 179.39 3g5u h GLN 533 N -0.15 0.21 0.54 3.15 5.75 -0.39 0.76 115.11 124.98 3g5u h GLN 533 Ca 0.04 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3g5u h GLN 533 Cb 0.25 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.76 3g5u h GLN 533 CO -0.28 0.14 -0.26 -0.09 -2.65 0.00 0.00 178.83 175.69 3g5u h ARG 534 N 0.21 -0.70 -0.61 1.69 2.43 0.88 -1.63 114.38 116.65 3g5u h ARG 534 Ca 0.58 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.92 3g5u h ARG 534 Cb 1.19 0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 30.79 3g5u h ARG 534 CO -0.66 -0.46 -0.07 0.82 -1.51 0.00 0.00 179.97 178.09 3g5u h ILE 535 N -0.73 0.44 -0.20 1.20 2.04 0.31 -0.65 117.51 119.92 3g5u h ILE 535 Ca -0.07 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3g5u h ILE 535 Cb 0.56 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3g5u h ILE 535 CO 0.12 0.01 -0.54 0.00 0.00 0.00 0.00 178.15 177.74 3g5u h ALA 536 N 1.59 -0.85 -1.17 1.87 0.00 -0.82 0.19 119.26 120.08 3g5u h ALA 536 Ca 0.31 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 55.53 3g5u h ALA 536 Cb 0.50 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.20 3g5u h ALA 536 CO -0.58 -1.07 0.75 0.82 0.00 0.00 0.00 179.25 179.17 3g5u h ILE 537 N -0.54 0.32 -0.19 0.00 2.04 -0.19 1.12 117.51 120.07 3g5u h ILE 537 Ca 0.04 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3g5u h ILE 537 Cb 0.66 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3g5u h ILE 537 CO -0.47 0.04 -0.11 0.00 0.00 0.00 0.00 178.15 177.62 3g5u h ALA 538 N 1.62 0.27 0.23 1.87 0.00 0.26 0.35 119.26 123.86 3g5u h ALA 538 Ca 0.70 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 3g5u h ALA 538 Cb 2.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 3g5u h ALA 538 CO -0.36 0.11 -0.30 -0.09 0.00 0.00 0.00 179.25 178.61 3g5u h ARG 539 N 0.10 -0.53 -0.74 0.00 2.43 0.32 -0.14 114.38 115.83 3g5u h ARG 539 Ca 0.04 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.41 3g5u h ARG 539 Cb 0.60 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3g5u h ARG 539 CO 0.03 -0.35 0.50 0.00 -1.51 0.00 0.00 179.97 178.64 3g5u h ALA 540 N -1.18 2.27 -0.58 2.80 0.00 -0.56 -0.28 119.26 121.72 3g5u h ALA 540 Ca -0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3g5u h ALA 540 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3g5u h ALA 540 CO -0.07 -0.48 0.39 1.25 0.00 0.00 0.00 179.25 180.34 3g5u h LEU 541 N 0.29 0.45 0.00 0.00 7.12 0.15 0.11 115.31 123.44 3g5u h LEU 541 Ca 0.36 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 58.19 3g5u h LEU 541 Cb 1.00 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 41.01 3g5u h LEU 541 CO -0.09 0.29 -0.90 0.58 -0.13 0.00 0.00 178.44 178.18 3g5u h VAL 542 N 0.51 1.50 -0.99 1.05 2.07 -0.10 -2.77 116.25 117.51 3g5u h VAL 542 Ca 0.26 -3.13 0.07 0.00 0.82 0.00 0.00 66.70 64.72 3g5u h VAL 542 Cb 0.36 2.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 3g5u h VAL 542 CO -0.07 0.85 0.63 -0.09 0.02 0.00 0.00 177.57 178.91 3g5u h ARG 543 N 0.00 1.11 -6.61 1.57 9.65 -0.32 -3.47 114.38 116.32 3g5u h ARG 543 Ca -0.01 -0.07 -0.48 0.00 -1.10 0.00 0.00 59.98 58.32 3g5u h ARG 543 Cb 1.68 -0.25 0.01 0.00 -1.39 0.00 0.00 29.97 30.03 3g5u h ARG 543 CO 0.11 0.74 -0.95 0.27 2.80 0.00 0.00 179.97 182.94 3g5u n ASN 544 N -4.52 -4.93 -3.65 -3.80 6.94 -0.74 -4.94 115.26 99.62 3g5u n ASN 544 Ca 0.15 -1.03 0.00 0.00 -0.02 0.00 0.00 54.58 53.68 3g5u n ASN 544 Cb 0.19 -2.30 0.00 0.00 -2.36 0.00 0.00 39.78 35.31 3g5u n ASN 544 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3g5u n PRO 545 N -3.74 1.05 0.00 -0.53 -0.04 -1.26 -5.02 135.00 125.45 3g5u n PRO 545 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3g5u n PRO 545 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 3g5u n PRO 545 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3g5u n LYS 546 N 0.00 3.05 -4.73 0.54 4.76 -1.11 -4.94 118.16 115.74 3g5u n LYS 546 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 3g5u n LYS 546 Cb 0.00 -0.34 -0.16 0.00 -1.84 0.00 0.00 35.03 32.69 3g5u n LYS 546 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g5u s ILE 547 N -0.52 1.26 -0.06 -0.18 -1.09 -1.19 -1.42 121.20 117.99 3g5u s ILE 547 Ca 0.00 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3g5u s ILE 547 Cb 0.00 -1.08 0.03 0.00 -1.58 0.00 0.00 42.46 39.82 3g5u s ILE 547 CO 0.00 0.37 -0.00 -0.22 -1.23 0.00 0.00 174.94 173.85 3g5u s LEU 548 N -0.00 0.75 -0.11 2.97 0.20 -0.74 0.49 118.68 122.23 3g5u s LEU 548 Ca -0.02 -0.07 -0.00 0.00 0.69 0.00 0.00 54.13 54.73 3g5u s LEU 548 Cb -0.10 -0.40 -0.02 0.00 -0.43 0.00 0.00 46.19 45.24 3g5u s LEU 548 CO 0.01 -0.16 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.05 3g5u s LEU 549 N 1.70 2.94 -0.28 -0.68 1.02 -0.67 -1.30 118.68 121.42 3g5u s LEU 549 Ca 0.01 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.99 3g5u s LEU 549 Cb -0.13 -1.66 0.07 0.00 0.02 0.00 0.00 46.19 44.50 3g5u s LEU 549 CO -0.04 0.24 -0.05 -0.76 0.02 0.00 0.00 176.35 175.76 3g5u s LEU 550 N -0.09 3.66 -1.26 1.79 1.02 -0.82 -1.98 118.68 121.01 3g5u s LEU 550 Ca -0.00 -1.59 -0.14 0.00 0.02 0.00 0.00 54.13 52.41 3g5u s LEU 550 Cb -0.14 -1.50 0.14 0.00 0.02 0.00 0.00 46.19 44.72 3g5u s LEU 550 CO 0.03 -0.26 1.62 -0.67 0.02 0.00 0.00 176.35 177.09 3g5u n ASP 551 N 4.43 5.06 0.00 2.29 4.64 -0.81 -1.72 116.55 130.44 3g5u n ASP 551 Ca -0.08 -2.97 0.00 0.00 -1.38 0.00 0.00 54.79 50.35 3g5u n ASP 551 Cb 0.42 -1.61 0.00 0.00 -1.04 0.00 0.00 41.12 38.89 3g5u n ASP 551 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3g5u n GLU 552 N 6.11 -0.07 0.00 -0.67 1.02 0.38 -3.11 120.64 124.30 3g5u n GLU 552 Ca 0.41 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3g5u n GLU 552 Cb 0.42 -4.19 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 3g5u n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g5u n ALA 553 N 1.00 0.00 -0.18 0.62 0.00 -1.26 0.25 120.51 120.94 3g5u n ALA 553 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3g5u n ALA 553 Cb 0.02 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.69 3g5u n ALA 553 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3g5u n THR 554 N 0.00 -0.23 -0.76 0.00 5.66 -1.26 -4.58 114.28 113.11 3g5u n THR 554 Ca 0.00 1.16 -0.27 0.00 -3.05 0.00 0.00 64.05 61.88 3g5u n THR 554 Cb 0.00 -1.76 0.02 0.00 -1.55 0.00 0.00 70.33 67.04 3g5u n THR 554 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3g5u n SER 555 N -4.49 -2.25 -4.15 1.09 7.64 0.70 -3.67 113.62 108.50 3g5u n SER 555 Ca 0.16 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.69 3g5u n SER 555 Cb 0.53 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3g5u n SER 555 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g5u n ALA 556 N -2.68 -2.22 -3.27 -0.43 0.00 -1.26 -4.93 120.51 105.72 3g5u n ALA 556 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 3g5u n ALA 556 Cb 0.53 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 3g5u n ALA 556 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3g5u s LEU 557 N -7.29 0.30 0.58 0.00 2.96 -1.24 -5.02 118.68 108.98 3g5u s LEU 557 Ca 0.18 0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.08 3g5u s LEU 557 Cb -0.09 1.78 -0.05 0.00 0.50 0.00 0.00 46.19 48.33 3g5u s LEU 557 CO 0.96 -0.59 1.01 -0.90 -1.32 0.00 0.00 176.35 175.52 3g5u n ASP 558 N 0.82 1.01 0.01 3.68 5.68 -1.26 -4.73 116.55 121.76 3g5u n ASP 558 Ca -0.20 0.84 -0.03 0.00 -0.50 0.00 0.00 54.79 54.91 3g5u n ASP 558 Cb 0.58 -1.41 -0.02 0.00 -1.14 0.00 0.00 41.12 39.14 3g5u n ASP 558 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3g5u h THR 559 N 0.65 0.00 -0.83 2.12 1.35 -1.98 -0.34 112.91 113.87 3g5u h THR 559 Ca -0.48 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.54 3g5u h THR 559 Cb 1.36 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.62 3g5u h THR 559 CO 0.52 0.00 -0.25 -0.08 -0.25 0.00 0.00 175.52 175.46 3g5u h GLU 560 N -0.12 -0.02 -0.11 4.72 4.22 -2.00 0.40 114.58 121.66 3g5u h GLU 560 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 3g5u h GLU 560 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3g5u h GLU 560 CO -0.05 -0.01 0.00 0.66 -2.18 0.00 0.00 179.01 177.42 3g5u h SER 561 N -0.02 -0.04 -0.98 1.04 4.64 -1.90 -0.38 113.55 115.91 3g5u h SER 561 Ca 0.38 0.02 0.38 0.00 -0.47 0.00 0.00 61.79 62.10 3g5u h SER 561 Cb 0.61 0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 62.56 3g5u h SER 561 CO -0.86 -0.00 0.42 1.21 -0.87 0.00 0.00 176.83 176.73 3g5u n GLU 562 N -5.11 -0.06 0.00 4.77 2.13 0.13 0.13 120.64 122.63 3g5u n GLU 562 Ca -0.04 1.37 0.00 0.00 0.66 0.00 0.00 57.16 59.15 3g5u n GLU 562 Cb 0.07 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.37 3g5u n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g5u n ALA 563 N -2.46 -0.44 -0.32 4.31 0.00 -0.21 -1.49 120.51 119.90 3g5u n ALA 563 Ca 0.34 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.84 3g5u n ALA 563 Cb 1.16 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.75 3g5u n ALA 563 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g5u h VAL 564 N 0.00 0.10 -0.08 0.00 2.07 0.16 0.13 116.25 118.62 3g5u h VAL 564 Ca 0.00 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3g5u h VAL 564 Cb 0.00 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3g5u h VAL 564 CO 0.00 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.15 3g5u h VAL 565 N 0.01 0.93 0.00 2.57 2.07 0.11 -1.22 116.25 120.71 3g5u h VAL 565 Ca 0.45 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.94 3g5u h VAL 565 Cb 0.73 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3g5u h VAL 565 CO -0.92 0.00 -0.16 -0.61 0.02 0.00 0.00 177.57 175.90 3g5u h GLN 566 N 0.00 0.00 0.12 1.57 5.75 0.10 -1.30 115.11 121.35 3g5u h GLN 566 Ca 0.04 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3g5u h GLN 566 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 3g5u h GLN 566 CO -0.08 0.16 -0.06 0.00 -2.65 0.00 0.00 178.83 176.20 3g5u h ALA 567 N 1.84 -0.16 -0.65 3.38 0.00 0.27 0.57 119.26 124.51 3g5u h ALA 567 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3g5u h ALA 567 Cb 0.41 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3g5u h ALA 567 CO 0.02 -0.52 0.19 0.00 0.00 0.00 0.00 179.25 178.95 3g5u h ALA 568 N 0.55 1.12 0.31 0.00 0.00 -0.81 -1.60 119.26 118.83 3g5u h ALA 568 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3g5u h ALA 568 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3g5u h ALA 568 CO 0.03 0.60 -0.32 -0.07 0.00 0.00 0.00 179.25 179.49 3g5u h LEU 569 N 0.96 -0.86 -0.02 0.00 3.38 -1.07 -1.24 115.31 116.46 3g5u h LEU 569 Ca 0.21 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3g5u h LEU 569 Cb 0.29 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3g5u h LEU 569 CO -0.01 -0.45 -0.51 0.44 0.09 0.00 0.00 178.44 178.01 3g5u h ASP 570 N -0.66 -1.57 0.00 -0.43 5.19 -0.56 0.81 116.42 119.19 3g5u h ASP 570 Ca -0.02 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3g5u h ASP 570 Cb 0.60 0.60 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3g5u h ASP 570 CO -0.06 -0.49 0.19 0.29 -3.12 0.00 0.00 179.24 176.05 3g5u n LYS 571 N -5.26 0.06 -0.10 3.56 5.02 -0.63 -1.29 118.16 119.51 3g5u n LYS 571 Ca -0.07 0.48 -0.18 0.00 -2.02 0.00 0.00 58.31 56.52 3g5u n LYS 571 Cb 0.37 -1.87 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 3g5u n LYS 571 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5u h ALA 572 N 1.41 0.20 -3.00 7.82 0.00 0.17 -3.48 119.26 122.38 3g5u h ALA 572 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3g5u h ALA 572 Cb 0.37 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3g5u h ALA 572 CO 0.00 0.59 0.00 0.54 0.00 0.00 0.00 179.25 180.38 3g5u n ARG 573 N -4.48 2.23 0.00 0.00 1.74 0.69 -4.17 116.66 112.67 3g5u n ARG 573 Ca -0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 3g5u n ARG 573 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 3g5u n ARG 573 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3g5u n GLU 574 N 0.00 0.00 0.06 5.56 4.07 -1.26 -3.65 120.64 125.42 3g5u n GLU 574 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 3g5u n GLU 574 Cb 0.00 -1.16 -0.06 0.00 -0.06 0.00 0.00 31.44 30.16 3g5u n GLU 574 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3g5u h GLY 575 N 0.00 0.00 -4.34 8.31 0.00 -1.85 -3.46 103.07 101.73 3g5u h GLY 575 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3g5u h GLY 575 CO 0.00 0.00 -0.81 0.50 0.00 0.00 0.00 176.54 176.23 3g5u s ARG 576 N -2.85 1.98 -0.11 4.80 0.52 -1.24 -4.81 118.95 117.24 3g5u s ARG 576 Ca -0.00 -1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 3g5u s ARG 576 Cb 0.08 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 3g5u s ARG 576 CO 0.79 0.52 1.21 -0.08 0.02 0.00 0.00 175.30 177.77 3g5u s THR 577 N -0.98 4.31 -0.05 0.02 -1.32 -0.51 -4.58 115.64 112.53 3g5u s THR 577 Ca 0.15 1.60 0.01 0.00 -1.21 0.00 0.00 61.69 62.25 3g5u s THR 577 Cb -0.10 -4.03 0.02 0.00 -1.51 0.00 0.00 72.50 66.87 3g5u s THR 577 CO 0.06 -0.07 -0.04 0.28 -2.21 0.00 0.00 174.62 172.65 3g5u s THR 578 N 2.81 0.50 -0.36 5.08 -1.32 -0.65 -1.79 115.64 119.90 3g5u s THR 578 Ca 0.54 -0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.76 3g5u s THR 578 Cb -0.23 -0.54 -0.00 0.00 -1.51 0.00 0.00 72.50 70.22 3g5u s THR 578 CO 0.18 0.22 0.49 -0.51 -2.21 0.00 0.00 174.62 172.78 3g5u s ILE 579 N 1.00 5.04 -0.06 5.08 -1.16 -0.42 -0.47 121.20 130.21 3g5u s ILE 579 Ca -0.10 0.20 0.06 0.00 -0.51 0.00 0.00 60.65 60.30 3g5u s ILE 579 Cb -0.14 -3.96 -0.01 0.00 0.61 0.00 0.00 42.46 38.96 3g5u s ILE 579 CO -0.00 -0.24 -0.24 0.54 -2.81 0.00 0.00 174.94 172.19 3g5u s VAL 580 N 2.32 2.17 -0.08 4.00 0.11 0.15 -1.94 120.40 127.13 3g5u s VAL 580 Ca 0.17 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.24 3g5u s VAL 580 Cb -0.16 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 3g5u s VAL 580 CO 0.13 0.57 -0.22 -0.51 -3.33 0.00 0.00 175.10 171.74 3g5u s ILE 581 N -0.15 2.28 0.05 7.04 -1.16 -0.70 0.93 121.20 129.49 3g5u s ILE 581 Ca -0.04 -0.96 -0.27 0.00 -0.51 0.00 0.00 60.65 58.87 3g5u s ILE 581 Cb -0.14 -1.87 0.09 0.00 0.61 0.00 0.00 42.46 41.16 3g5u s ILE 581 CO 0.04 0.56 1.19 0.00 -2.81 0.00 0.00 174.94 173.92 3g5u s ALA 582 N 0.07 -2.09 -0.39 1.50 0.00 -1.07 -0.47 121.76 119.30 3g5u s ALA 582 Ca -0.09 0.10 0.16 0.00 0.00 0.00 0.00 51.96 52.13 3g5u s ALA 582 Cb -0.15 0.70 -0.21 0.00 0.00 0.00 0.00 23.12 23.46 3g5u s ALA 582 CO 0.06 -1.09 0.51 0.72 0.00 0.00 0.00 175.76 175.96 3g5u n HIS 583 N -0.70 0.00 -2.33 0.00 8.25 -1.26 -4.63 115.22 114.54 3g5u n HIS 583 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3g5u n HIS 583 Cb 0.60 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 3g5u n HIS 583 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g5u n ARG 584 N -1.70 2.98 0.07 -0.41 5.12 -1.26 -4.77 116.66 116.69 3g5u n ARG 584 Ca 0.00 -3.05 0.20 0.00 -1.93 0.00 0.00 57.85 53.07 3g5u n ARG 584 Cb 0.33 -3.46 0.57 0.00 -1.16 0.00 0.00 32.46 28.75 3g5u n ARG 584 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3g5u h LEU 585 N 12.38 0.00 -0.90 0.55 -0.00 -1.98 2.47 115.31 127.83 3g5u h LEU 585 Ca 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.25 3g5u h LEU 585 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 3g5u h LEU 585 CO 1.55 0.00 -0.17 0.77 -0.00 0.00 0.00 178.44 180.58 3g5u h SER 586 N 0.00 0.61 -0.68 -0.43 4.64 -2.01 -1.74 113.55 113.94 3g5u h SER 586 Ca 0.23 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3g5u h SER 586 Cb 1.70 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3g5u h SER 586 CO -0.00 0.80 0.00 0.35 -0.87 0.00 0.00 176.83 177.10 3g5u n THR 587 N -4.15 1.62 -0.10 2.95 -2.24 0.82 -4.14 114.28 109.04 3g5u n THR 587 Ca 0.00 -1.15 -0.17 0.00 -2.27 0.00 0.00 64.05 60.47 3g5u n THR 587 Cb 0.38 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 3g5u n THR 587 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3g5u n VAL 588 N 1.29 1.50 0.00 2.28 0.31 -0.43 -4.59 118.33 118.68 3g5u n VAL 588 Ca 0.26 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3g5u n VAL 588 Cb 0.83 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3g5u n VAL 588 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3g5u n ARG 589 N -4.46 0.00 -0.05 5.55 3.00 -0.73 -0.18 116.66 119.79 3g5u n ARG 589 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.58 3g5u n ARG 589 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 3g5u n ARG 589 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3g5u n ASN 590 N -2.37 0.78 -4.67 6.15 6.94 -1.26 -4.76 115.26 116.08 3g5u n ASN 590 Ca 0.00 -0.84 -0.39 0.00 -0.02 0.00 0.00 54.58 53.33 3g5u n ASN 590 Cb 0.00 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.20 3g5u n ASN 590 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5u s ALA 591 N 1.24 3.53 0.55 -2.53 0.00 0.74 -4.92 121.76 120.37 3g5u s ALA 591 Ca 0.00 -0.32 0.23 0.00 0.00 0.00 0.00 51.96 51.87 3g5u s ALA 591 Cb 0.00 -2.86 1.48 0.00 0.00 0.00 0.00 23.12 21.74 3g5u s ALA 591 CO 0.00 -0.44 2.12 -0.44 0.00 0.00 0.00 175.76 177.00 3g5u h ASP 592 N 7.39 0.00 -4.74 0.00 3.45 -1.67 -3.43 116.42 117.43 3g5u h ASP 592 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.13 3g5u h ASP 592 Cb 1.15 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.74 3g5u h ASP 592 CO 0.75 0.00 0.32 0.54 -1.57 0.00 0.00 179.24 179.28 3g5u s VAL 593 N -4.88 0.00 0.20 -1.35 0.11 -1.24 -4.65 120.40 108.58 3g5u s VAL 593 Ca -0.05 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.08 3g5u s VAL 593 Cb 0.17 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 3g5u s VAL 593 CO 0.63 0.00 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.61 3g5u s ILE 594 N -1.88 1.83 -0.00 7.04 1.09 -0.44 -0.15 121.20 128.69 3g5u s ILE 594 Ca -0.05 -2.12 -0.02 0.00 -1.10 0.00 0.00 60.65 57.37 3g5u s ILE 594 Cb -0.00 -1.99 -0.00 0.00 -1.06 0.00 0.00 42.46 39.41 3g5u s ILE 594 CO 0.01 -0.47 0.04 0.00 -0.10 0.00 0.00 174.94 174.42 3g5u s ALA 595 N -2.58 -0.07 -0.43 9.38 0.00 -0.68 -1.52 121.76 125.85 3g5u s ALA 595 Ca 0.20 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 3g5u s ALA 595 Cb -0.03 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3g5u s ALA 595 CO 0.07 -0.10 0.76 0.20 0.00 0.00 0.00 175.76 176.70 3g5u s GLY 596 N -0.68 1.63 0.30 0.00 0.00 -0.56 -1.79 107.32 106.21 3g5u s GLY 596 Ca -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.68 3g5u s GLY 596 CO -0.00 1.73 0.09 0.69 0.00 0.00 0.00 173.10 175.61 3g5u n PHE 597 N 6.59 0.20 0.00 1.90 3.72 0.12 -1.77 117.46 128.23 3g5u n PHE 597 Ca 0.02 -1.82 0.00 0.00 -0.05 0.00 0.00 57.45 55.60 3g5u n PHE 597 Cb 0.48 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3g5u n PHE 597 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3g5u n ASP 598 N -1.61 0.00 -0.96 4.37 2.03 -1.26 -3.81 116.55 115.31 3g5u n ASP 598 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 3g5u n ASP 598 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3g5u n ASP 598 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g5u n GLY 599 N 0.00 0.45 2.39 0.27 0.00 -1.19 -4.08 105.19 103.02 3g5u n GLY 599 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 3g5u n GLY 599 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLY 600 N -0.96 -0.79 3.08 -0.02 0.00 -0.68 -4.90 105.19 100.92 3g5u n GLY 600 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3g5u n GLY 600 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5u s VAL 601 N -3.02 -0.71 0.17 1.61 0.11 -1.26 -4.85 120.40 112.45 3g5u s VAL 601 Ca 0.02 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 3g5u s VAL 601 Cb -0.00 -0.26 -0.07 0.00 -1.53 0.00 0.00 36.38 34.52 3g5u s VAL 601 CO 0.42 0.00 1.11 -0.51 -3.33 0.00 0.00 175.10 172.79 3g5u s ILE 602 N 2.25 3.88 0.00 7.04 1.10 -1.18 -3.59 121.20 130.70 3g5u s ILE 602 Ca 0.16 1.60 0.00 0.00 -0.51 0.00 0.00 60.65 61.90 3g5u s ILE 602 Cb -0.03 -4.02 0.00 0.00 0.15 0.00 0.00 42.46 38.56 3g5u s ILE 602 CO -0.15 0.26 0.00 1.33 -2.11 0.00 0.00 174.94 174.27 3g5u n VAL 603 N 2.49 0.00 -2.77 4.00 0.24 -0.73 -4.98 118.33 116.59 3g5u n VAL 603 Ca 0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 3g5u n VAL 603 Cb 0.46 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 3g5u n VAL 603 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3g5u s GLU 604 N 0.00 3.77 -0.04 7.34 2.02 -1.26 -4.79 118.70 125.74 3g5u s GLU 604 Ca 0.00 0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.54 3g5u s GLU 604 Cb 0.00 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.36 3g5u s GLU 604 CO 0.00 -1.07 -0.12 -1.14 0.02 0.00 0.00 175.26 172.94 3g5u s GLN 605 N 3.70 2.52 0.00 1.61 0.74 -1.26 -1.50 119.66 125.46 3g5u s GLN 605 Ca 0.40 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 55.12 3g5u s GLN 605 Cb -0.11 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.59 3g5u s GLN 605 CO 0.22 0.62 0.00 0.41 -0.55 0.00 0.00 175.29 175.99 3g5u n GLY 606 N 2.15 0.71 3.78 2.59 0.00 -0.58 -4.94 105.19 108.90 3g5u n GLY 606 Ca -0.17 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 3g5u n GLY 606 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g5u s ASN 607 N -1.54 5.20 0.00 1.61 2.47 -1.26 -1.33 114.94 120.08 3g5u s ASN 607 Ca 0.00 1.87 0.00 0.00 0.42 0.00 0.00 52.86 55.15 3g5u s ASN 607 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 3g5u s ASN 607 CO 0.00 -1.57 0.44 1.57 -3.72 0.00 0.00 177.10 173.82 3g5u n HIS 608 N -2.63 0.00 0.33 0.43 -0.00 -1.26 -0.35 115.22 111.73 3g5u n HIS 608 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.89 3g5u n HIS 608 Cb 0.53 0.00 0.42 0.00 -0.00 0.00 0.00 29.99 30.94 3g5u n HIS 608 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3g5u h ASP 609 N 0.00 0.00 0.04 0.26 5.19 -1.96 0.30 116.42 120.24 3g5u h ASP 609 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 3g5u h ASP 609 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 3g5u h ASP 609 CO 0.00 0.00 -0.36 -0.33 -3.12 0.00 0.00 179.24 175.43 3g5u h GLU 610 N 0.00 0.18 0.00 3.56 5.08 -1.05 0.32 114.58 122.66 3g5u h GLU 610 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3g5u h GLU 610 Cb 1.28 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3g5u h GLU 610 CO 0.00 1.04 0.00 -0.07 -1.00 0.00 0.00 179.01 178.98 3g5u h LEU 611 N -0.57 0.00 0.12 1.33 4.07 0.75 0.16 115.31 121.17 3g5u h LEU 611 Ca -0.06 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.66 3g5u h LEU 611 Cb 1.20 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.94 3g5u h LEU 611 CO 0.07 0.00 -1.19 0.24 -1.08 0.00 0.00 178.44 176.48 3g5u h MET 612 N 0.00 0.26 -0.11 1.13 2.86 -1.21 -3.00 114.93 114.86 3g5u h MET 612 Ca 0.00 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 3g5u h MET 612 Cb 0.61 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 3g5u h MET 612 CO 0.00 1.22 0.14 0.00 1.06 0.00 0.00 176.91 179.32 3g5u h ARG 613 N -0.34 0.00 0.08 1.72 2.47 0.20 0.49 114.38 119.00 3g5u h ARG 613 Ca -0.24 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.23 3g5u h ARG 613 Cb 1.71 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.03 3g5u h ARG 613 CO 0.09 0.00 -1.11 1.49 0.56 0.00 0.00 179.97 181.00 3g5u h GLU 614 N 0.00 0.27 -0.95 0.04 4.57 -0.70 -3.47 114.58 114.34 3g5u h GLU 614 Ca 0.05 -0.39 -0.21 0.00 -1.18 0.00 0.00 59.36 57.63 3g5u h GLU 614 Cb 0.33 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3g5u h GLU 614 CO -0.00 1.14 -0.23 1.63 -1.18 0.00 0.00 179.01 180.38 3g5u n LYS 615 N -3.58 -0.78 0.00 1.92 5.02 0.17 -4.99 118.16 115.92 3g5u n LYS 615 Ca -0.07 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3g5u n LYS 615 Cb 0.95 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 31.25 3g5u n LYS 615 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g5u n GLY 616 N -1.39 1.02 0.45 0.72 0.00 -1.23 -4.57 105.19 100.18 3g5u n GLY 616 Ca -0.11 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3g5u n GLY 616 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g5u h ILE 617 N 0.00 0.00 -0.04 -0.61 1.08 -1.94 0.57 117.51 116.57 3g5u h ILE 617 Ca 0.00 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.41 3g5u h ILE 617 Cb 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 3g5u h ILE 617 CO 0.00 0.00 -0.08 0.22 -0.69 0.00 0.00 178.15 177.60 3g5u h TYR 618 N -1.19 -0.23 -0.83 1.37 3.20 -1.94 0.60 116.97 117.95 3g5u h TYR 618 Ca -0.12 0.01 0.14 0.00 3.14 0.00 0.00 58.73 61.90 3g5u h TYR 618 Cb 0.86 0.11 -0.14 0.00 1.54 0.00 0.00 36.73 39.10 3g5u h TYR 618 CO 0.02 -0.07 -0.36 0.35 -1.64 0.00 0.00 178.16 176.46 3g5u h PHE 619 N -0.06 -1.00 0.00 -3.82 3.57 -1.61 0.91 116.94 114.93 3g5u h PHE 619 Ca 0.01 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3g5u h PHE 619 Cb 0.09 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3g5u h PHE 619 CO -0.56 -0.40 0.00 1.17 -2.23 0.00 0.00 178.31 176.30 3g5u n LYS 620 N -5.46 0.00 -0.28 1.11 0.00 0.20 -0.19 118.16 113.54 3g5u n LYS 620 Ca 0.08 0.47 0.33 0.00 0.00 0.00 0.00 58.31 59.19 3g5u n LYS 620 Cb 0.38 -1.15 0.74 0.00 0.00 0.00 0.00 35.03 35.00 3g5u n LYS 620 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3g5u h LEU 621 N 0.00 0.01 -0.03 3.14 -0.00 0.90 0.13 115.31 119.46 3g5u h LEU 621 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3g5u h LEU 621 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3g5u h LEU 621 CO 0.00 0.00 0.01 0.58 -0.00 0.00 0.00 178.44 179.03 3g5u h VAL 622 N 0.01 1.16 -0.00 1.22 2.07 0.22 -1.59 116.25 119.34 3g5u h VAL 622 Ca 0.53 -0.46 -0.17 0.00 0.82 0.00 0.00 66.70 67.41 3g5u h VAL 622 Cb 2.10 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3g5u h VAL 622 CO -0.01 0.12 -0.80 0.24 0.02 0.00 0.00 177.57 177.14 3g5u h MET 623 N -0.15 0.08 -0.61 1.57 2.86 0.17 -1.78 114.93 117.07 3g5u h MET 623 Ca 0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3g5u h MET 623 Cb 0.19 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3g5u h MET 623 CO -0.00 0.84 0.39 1.15 1.06 0.00 0.00 176.91 180.35 3g5u h THR 624 N 0.04 1.16 -0.00 2.22 2.02 -0.73 0.35 112.91 117.97 3g5u h THR 624 Ca -0.02 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3g5u h THR 624 Cb 1.41 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3g5u h THR 624 CO 0.11 0.16 -0.17 0.00 0.37 0.00 0.00 175.52 175.99 3g5u n GLN 625 N -4.43 0.24 0.00 6.66 6.02 -0.61 -5.08 117.38 120.18 3g5u n GLN 625 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3g5u n GLN 625 Cb 0.05 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.81 3g5u n GLN 625 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3g5u n THR 626 N -1.31 0.00 -2.52 5.09 -1.04 0.12 -5.08 114.28 109.54 3g5u n THR 626 Ca 0.09 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.08 3g5u n THR 626 Cb 0.31 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.90 3g5u n THR 626 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g5u n LEU 684 N 0.00 -0.98 0.00 -4.42 -0.00 -1.26 -4.22 117.00 106.12 3g5u n LEU 684 Ca 0.00 -2.39 0.00 0.00 -0.00 0.00 0.00 56.01 53.62 3g5u n LEU 684 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 3g5u n LEU 684 CO 0.00 1.46 0.00 -0.90 -0.00 0.00 0.00 177.39 177.95 3g5u n ASP 685 N -0.94 0.01 -3.77 1.45 5.75 -1.26 -4.92 116.55 112.86 3g5u n ASP 685 Ca -0.13 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.36 3g5u n ASP 685 Cb 0.74 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.67 3g5u n ASP 685 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3g5u s GLU 686 N 1.99 0.85 -0.83 0.11 2.02 -1.26 -5.05 118.70 116.53 3g5u s GLU 686 Ca 0.00 -0.61 -0.25 0.00 0.02 0.00 0.00 54.97 54.13 3g5u s GLU 686 Cb 0.00 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 3g5u s GLU 686 CO 0.00 -0.68 1.83 -0.51 0.02 0.00 0.00 175.26 175.92 3g5u s ASP 687 N 1.74 5.40 -0.18 -0.19 1.01 -1.26 -4.92 116.67 118.27 3g5u s ASP 687 Ca -0.01 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.77 3g5u s ASP 687 Cb -0.17 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.24 3g5u s ASP 687 CO -0.10 -2.45 -0.14 0.68 0.21 0.00 0.00 175.17 173.38 3g5u s VAL 688 N 8.95 1.75 0.12 -1.27 -7.23 -1.26 -5.04 120.40 116.41 3g5u s VAL 688 Ca 0.64 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.84 3g5u s VAL 688 Cb -0.07 -1.72 -0.20 0.00 0.56 0.00 0.00 36.38 34.94 3g5u s VAL 688 CO 0.05 0.32 1.27 1.55 -0.31 0.00 0.00 175.10 177.98 3g5u h PRO 689 N 7.97 0.36 -0.87 4.82 0.13 -2.06 -3.40 132.00 138.96 3g5u h PRO 689 Ca -0.34 -0.43 0.15 0.00 -0.87 0.00 0.00 66.00 64.51 3g5u h PRO 689 Cb 1.11 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 3g5u h PRO 689 CO 0.52 1.12 -0.28 -0.35 -0.23 0.00 0.00 178.00 178.79 3g5u n PRO 690 N -3.69 -0.14 0.00 1.56 -0.04 -1.26 -4.88 135.00 126.55 3g5u n PRO 690 Ca -0.07 1.35 0.00 0.00 -0.04 0.00 0.00 63.50 64.74 3g5u n PRO 690 Cb 0.88 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3g5u n PRO 690 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g5u n ALA 691 N -3.61 0.00 0.00 0.55 0.00 -1.26 -4.87 120.51 111.32 3g5u n ALA 691 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3g5u n ALA 691 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3g5u n ALA 691 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g5u n SER 692 N -3.37 0.00 -0.17 0.00 7.64 -1.26 -4.87 113.62 111.59 3g5u n SER 692 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3g5u n SER 692 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3g5u n SER 692 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 3g5u h PHE 693 N 0.00 -1.36 0.06 1.43 -0.00 -1.96 -3.03 116.94 112.08 3g5u h PHE 693 Ca 0.00 0.08 -0.35 0.00 -0.00 0.00 0.00 57.97 57.69 3g5u h PHE 693 Cb 0.00 0.66 -0.04 0.00 -0.00 0.00 0.00 35.95 36.57 3g5u h PHE 693 CO 0.00 -0.44 -2.07 0.91 -0.00 0.00 0.00 178.31 176.71 3g5u n TRP 694 N -5.40 0.84 -0.14 6.09 5.03 -1.26 -4.27 117.44 118.33 3g5u n TRP 694 Ca -0.00 0.21 -0.04 0.00 3.03 0.00 0.00 57.50 60.70 3g5u n TRP 694 Cb 0.35 -1.12 -0.03 0.00 -1.03 0.00 0.00 31.31 29.47 3g5u n TRP 694 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3g5u n ARG 695 N -3.27 -0.14 0.00 -0.99 0.63 -1.21 0.59 116.66 112.28 3g5u n ARG 695 Ca -0.31 0.56 0.03 0.00 -0.92 0.00 0.00 57.85 57.21 3g5u n ARG 695 Cb 1.05 -0.83 0.15 0.00 0.45 0.00 0.00 32.46 33.28 3g5u n ARG 695 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3g5u n ILE 696 N -4.11 0.79 -0.08 5.15 -5.35 -1.15 0.84 119.36 115.45 3g5u n ILE 696 Ca 0.01 0.20 -0.16 0.00 -0.27 0.00 0.00 62.75 62.53 3g5u n ILE 696 Cb 0.08 -1.10 -0.11 0.00 -1.74 0.00 0.00 39.64 36.77 3g5u n ILE 696 CO 0.00 0.00 0.00 0.17 -1.76 0.00 0.00 176.55 174.96 3g5u h LEU 697 N 0.00 0.00 0.29 7.28 8.10 1.64 1.26 115.31 133.89 3g5u h LEU 697 Ca 0.00 -0.69 -0.01 0.00 0.11 0.00 0.00 57.88 57.29 3g5u h LEU 697 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.26 3g5u h LEU 697 CO 0.00 1.14 -0.28 0.11 -4.11 0.00 0.00 178.44 175.30 3g5u h LYS 698 N -1.00 -0.55 -0.46 0.17 1.57 0.10 0.34 116.57 116.74 3g5u h LYS 698 Ca -0.13 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3g5u h LYS 698 Cb 1.02 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3g5u h LYS 698 CO -0.08 -0.36 0.32 -0.07 -0.57 0.00 0.00 179.45 178.68 3g5u h LEU 699 N -0.57 0.24 0.00 2.94 3.38 0.30 -1.98 115.31 119.61 3g5u h LEU 699 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3g5u h LEU 699 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3g5u h LEU 699 CO -0.03 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.24 3g5u n ASN 700 N -4.46 0.00 -0.55 -0.43 4.13 0.43 0.93 115.26 115.31 3g5u n ASN 700 Ca 0.07 0.37 0.45 0.00 1.68 0.00 0.00 54.58 57.14 3g5u n ASN 700 Cb 0.35 0.00 0.73 0.00 -1.54 0.00 0.00 39.78 39.31 3g5u n ASN 700 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3g5u h SER 701 N 0.00 0.13 0.17 6.41 0.02 -0.75 4.25 113.55 123.79 3g5u h SER 701 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3g5u h SER 701 Cb 0.00 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3g5u h SER 701 CO 0.00 -0.18 -0.18 0.74 -1.14 0.00 0.00 176.83 176.07 3g5u h THR 702 N 0.00 0.60 0.00 -2.27 2.02 0.13 0.67 112.91 114.07 3g5u h THR 702 Ca 0.91 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 68.07 3g5u h THR 702 Cb 3.15 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 3g5u h THR 702 CO -0.32 0.00 -0.00 -0.62 0.37 0.00 0.00 175.52 174.94 3g5u n GLU 703 N -5.31 0.67 -3.68 6.66 4.71 1.40 -4.67 120.64 120.42 3g5u n GLU 703 Ca -0.08 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.16 56.83 3g5u n GLU 703 Cb 0.22 -1.32 -0.08 0.00 -1.01 0.00 0.00 31.44 29.25 3g5u n GLU 703 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 3g5u s TRP 704 N 1.06 -0.56 -0.18 -0.32 -0.00 0.23 -4.75 118.94 114.42 3g5u s TRP 704 Ca 0.07 1.31 -0.14 0.00 -0.00 0.00 0.00 56.10 57.33 3g5u s TRP 704 Cb 0.03 0.22 -0.06 0.00 -0.00 0.00 0.00 33.47 33.65 3g5u s TRP 704 CO 0.00 -0.33 -0.24 -0.35 -0.00 0.00 0.00 176.95 176.03 3g5u n PRO 705 N 2.44 0.51 0.00 5.86 -0.04 -1.26 -4.90 135.00 137.61 3g5u n PRO 705 Ca -0.15 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3g5u n PRO 705 Cb 0.56 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3g5u n PRO 705 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3g5u n TYR 706 N -4.50 0.00 -2.67 0.54 0.18 -1.26 -5.09 117.16 104.36 3g5u n TYR 706 Ca -0.16 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.58 3g5u n TYR 706 Cb 0.46 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.46 3g5u n TYR 706 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 3g5u n PHE 707 N -0.91 -0.78 0.25 -3.48 0.99 -1.26 -4.96 117.46 107.30 3g5u n PHE 707 Ca 0.00 -0.95 0.07 0.00 -0.00 0.00 0.00 57.45 56.58 3g5u n PHE 707 Cb 0.00 1.26 0.60 0.00 -1.00 0.00 0.00 39.48 40.34 3g5u n PHE 707 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 3g5u h VAL 708 N 0.69 1.02 -0.10 -4.37 3.04 -1.99 -1.14 116.25 113.42 3g5u h VAL 708 Ca -0.45 -0.25 0.04 0.00 -1.01 0.00 0.00 66.70 65.03 3g5u h VAL 708 Cb 1.23 1.14 -0.06 0.00 -2.01 0.00 0.00 31.29 31.59 3g5u h VAL 708 CO -0.12 0.07 -0.27 1.62 -1.01 0.00 0.00 177.57 177.86 3g5u h VAL 709 N 0.00 0.37 0.02 1.51 3.04 -1.98 0.90 116.25 120.11 3g5u h VAL 709 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g5u h VAL 709 Cb 0.13 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 3g5u h VAL 709 CO 0.01 0.00 -0.08 1.23 -1.01 0.00 0.00 177.57 177.72 3g5u h GLY 710 N -0.36 -1.23 -0.59 3.17 0.00 -1.58 0.19 103.07 102.67 3g5u h GLY 710 Ca 0.09 0.55 0.37 0.00 0.00 0.00 0.00 47.33 48.34 3g5u h GLY 710 CO -0.30 -0.44 0.93 1.19 0.00 0.00 0.00 176.54 177.92 3g5u h ILE 711 N -0.11 0.35 0.11 2.60 2.10 -1.15 -1.72 117.51 119.70 3g5u h ILE 711 Ca -0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3g5u h ILE 711 Cb 0.11 0.35 -0.00 0.00 -1.09 0.00 0.00 36.82 36.18 3g5u h ILE 711 CO -0.04 0.00 -0.11 0.15 -1.08 0.00 0.00 178.15 177.07 3g5u h PHE 712 N 0.00 -0.30 -0.32 2.19 3.04 0.39 -1.59 116.94 120.35 3g5u h PHE 712 Ca 0.61 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.65 3g5u h PHE 712 Cb 2.47 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 41.09 3g5u h PHE 712 CO 0.00 -0.14 0.23 0.00 -2.02 0.00 0.00 178.31 176.37 3g5u h ALA 714 N 1.84 0.26 -0.24 0.00 0.00 -0.51 0.78 119.26 121.40 3g5u h ALA 714 Ca 0.15 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3g5u h ALA 714 Cb 0.54 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3g5u h ALA 714 CO -0.01 -0.49 -0.13 0.82 0.00 0.00 0.00 179.25 179.44 3g5u h ILE 715 N -0.05 0.61 -0.43 0.00 1.08 -0.17 -1.12 117.51 117.42 3g5u h ILE 715 Ca 0.25 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.74 3g5u h ILE 715 Cb 0.43 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3g5u h ILE 715 CO -0.56 0.00 0.25 0.16 -0.69 0.00 0.00 178.15 177.31 3g5u h ILE 716 N -0.10 1.04 -0.55 -0.67 -0.00 0.58 -1.24 117.51 116.57 3g5u h ILE 716 Ca 0.13 -0.18 0.11 0.00 -0.00 0.00 0.00 64.86 64.93 3g5u h ILE 716 Cb 0.30 0.49 -0.10 0.00 -0.00 0.00 0.00 36.82 37.51 3g5u h ILE 716 CO -0.31 0.09 -0.08 -1.13 -0.00 0.00 0.00 178.15 176.73 3g5u h ASN 717 N 0.51 -0.40 0.11 2.16 -0.73 0.90 0.44 115.58 118.57 3g5u h ASN 717 Ca 0.17 0.15 0.02 0.00 1.87 0.00 0.00 56.30 58.52 3g5u h ASN 717 Cb 0.01 0.30 -0.05 0.00 0.27 0.00 0.00 38.32 38.86 3g5u h ASN 717 CO -0.08 -0.15 -0.39 1.23 -0.37 0.00 0.00 177.43 177.67 3g5u h GLY 718 N 0.05 -0.77 0.29 1.57 0.00 -0.11 -0.80 103.07 103.30 3g5u h GLY 718 Ca 0.27 0.47 0.11 0.00 0.00 0.00 0.00 47.33 48.18 3g5u h GLY 718 CO -0.53 -0.26 0.20 -1.33 0.00 0.00 0.00 176.54 174.62 3g5u h GLY 719 N -0.62 0.85 -0.99 4.60 0.00 -0.33 -0.51 103.07 106.07 3g5u h GLY 719 Ca 0.03 -0.09 0.22 0.00 0.00 0.00 0.00 47.33 47.49 3g5u h GLY 719 CO -0.24 -0.06 -0.17 -0.10 0.00 0.00 0.00 176.54 175.97 3g5u n LEU 720 N -5.05 -0.29 0.20 3.11 7.94 0.14 0.13 117.00 123.19 3g5u n LEU 720 Ca 0.09 1.70 -0.08 0.00 -1.11 0.00 0.00 56.01 56.61 3g5u n LEU 720 Cb 0.31 -0.54 -0.04 0.00 0.53 0.00 0.00 43.42 43.68 3g5u n LEU 720 CO 0.20 -1.65 0.43 -0.61 -1.11 0.00 0.00 177.39 174.64 3g5u h GLN 721 N 0.00 -0.51 -0.60 1.96 5.75 -0.47 -1.70 115.11 119.55 3g5u h GLN 721 Ca 0.51 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 59.22 3g5u h GLN 721 Cb 0.87 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 3g5u h GLN 721 CO -0.99 -0.34 0.49 -1.35 -2.65 0.00 0.00 178.83 173.99 3g5u h PRO 722 N -0.61 0.00 -0.48 -2.39 0.11 -1.05 0.25 132.00 127.84 3g5u h PRO 722 Ca -0.05 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.15 3g5u h PRO 722 Cb 0.40 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.43 3g5u h PRO 722 CO 0.09 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.87 3g5u h ALA 723 N 1.58 0.45 -0.37 -0.75 0.00 0.13 0.20 119.26 120.49 3g5u h ALA 723 Ca 0.28 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.37 3g5u h ALA 723 Cb 1.27 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3g5u h ALA 723 CO -0.00 -0.39 0.16 0.35 0.00 0.00 0.00 179.25 179.37 3g5u h PHE 724 N 0.11 0.30 -0.88 0.00 3.57 0.40 0.14 116.94 120.57 3g5u h PHE 724 Ca 0.24 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.97 3g5u h PHE 724 Cb 0.36 -0.08 -0.16 0.00 2.79 0.00 0.00 35.95 38.86 3g5u h PHE 724 CO -0.31 0.14 -0.03 0.77 -2.23 0.00 0.00 178.31 176.65 3g5u h SER 725 N 0.34 -0.50 0.24 0.41 0.02 -0.05 -1.65 113.55 112.36 3g5u h SER 725 Ca 0.16 0.24 -0.31 0.00 -0.84 0.00 0.00 61.79 61.04 3g5u h SER 725 Cb 0.10 0.44 0.03 0.00 0.14 0.00 0.00 62.40 63.12 3g5u h SER 725 CO -0.14 -0.27 -1.35 0.58 -1.14 0.00 0.00 176.83 174.51 3g5u h VAL 726 N 0.05 1.30 -0.53 2.27 2.07 -0.58 -2.11 116.25 118.72 3g5u h VAL 726 Ca 0.49 -2.62 0.05 0.00 0.82 0.00 0.00 66.70 65.43 3g5u h VAL 726 Cb 0.90 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.50 3g5u h VAL 726 CO -0.82 0.79 0.26 -0.29 0.02 0.00 0.00 177.57 177.53 3g5u h ILE 727 N 0.20 0.94 0.52 4.57 -0.00 -0.46 0.69 117.51 123.97 3g5u h ILE 727 Ca -0.21 -0.17 -0.03 0.00 -0.00 0.00 0.00 64.86 64.45 3g5u h ILE 727 Cb 2.04 0.39 0.01 0.00 -0.00 0.00 0.00 36.82 39.25 3g5u h ILE 727 CO 0.25 0.09 -0.25 0.15 -0.00 0.00 0.00 178.15 178.40 3g5u h PHE 728 N 0.51 -0.64 -1.19 2.19 3.04 -1.43 -0.88 116.94 118.54 3g5u h PHE 728 Ca 0.24 -0.02 0.40 0.00 3.98 0.00 0.00 57.97 62.57 3g5u h PHE 728 Cb 0.16 0.21 -0.14 0.00 2.56 0.00 0.00 35.95 38.74 3g5u h PHE 728 CO -0.11 -0.40 0.73 0.66 -2.02 0.00 0.00 178.31 177.18 3g5u h SER 729 N -0.81 0.32 0.74 0.41 4.64 -1.13 0.93 113.55 118.65 3g5u h SER 729 Ca -0.07 0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 3g5u h SER 729 Cb 0.53 0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.77 3g5u h SER 729 CO 0.12 -0.19 -0.35 0.50 -0.87 0.00 0.00 176.83 176.03 3g5u h LYS 730 N 0.14 -0.95 0.00 4.77 3.64 0.69 0.14 116.57 125.00 3g5u h LYS 730 Ca 0.79 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 60.24 3g5u h LYS 730 Cb 2.27 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 34.31 3g5u h LYS 730 CO -0.50 -0.64 0.00 0.28 -2.27 0.00 0.00 179.45 176.32 3g5u n VAL 731 N -5.10 0.00 -0.26 2.00 0.31 0.32 0.11 118.33 115.72 3g5u n VAL 731 Ca -0.12 1.06 -0.09 0.00 -0.01 0.00 0.00 64.34 65.18 3g5u n VAL 731 Cb 0.39 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 3g5u n VAL 731 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3g5u h VAL 732 N 0.00 0.05 -0.00 2.52 -1.51 -1.53 -1.86 116.25 113.91 3g5u h VAL 732 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3g5u h VAL 732 Cb 0.00 0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.21 3g5u h VAL 732 CO 0.00 0.00 -0.00 1.23 -1.23 0.00 0.00 177.57 177.57 3g5u h GLY 733 N -0.19 -2.18 -1.41 5.19 0.00 0.12 0.67 103.07 105.27 3g5u h GLY 733 Ca 0.18 0.94 0.00 0.00 0.00 0.00 0.00 47.33 48.45 3g5u h GLY 733 CO -0.76 -0.83 0.00 1.55 0.00 0.00 0.00 176.54 176.50 3g5u n VAL 734 N -2.81 0.10 -0.57 4.60 3.14 0.30 -1.19 118.33 121.90 3g5u n VAL 734 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3g5u n VAL 734 Cb 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 3g5u n VAL 734 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 3g5u n PHE 735 N 0.58 0.00 0.84 1.45 -0.00 0.14 -4.78 117.46 115.70 3g5u n PHE 735 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 3g5u n PHE 735 Cb 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.49 3g5u n PHE 735 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3g5u n THR 736 N 0.00 0.01 -3.15 -2.13 -2.24 0.21 -4.83 114.28 102.15 3g5u n THR 736 Ca 0.00 -0.08 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 3g5u n THR 736 Cb 0.03 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 3g5u n THR 736 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g5u s ASN 737 N -3.26 -0.93 0.00 3.42 4.22 -0.85 -4.30 114.94 113.24 3g5u s ASN 737 Ca 0.06 0.35 0.00 0.00 -2.14 0.00 0.00 52.86 51.13 3g5u s ASN 737 Cb 0.16 1.68 0.00 0.00 1.28 0.00 0.00 41.25 44.37 3g5u s ASN 737 CO 0.86 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 176.35 3g5u n GLY 738 N 5.37 -1.15 3.69 0.45 0.00 -1.26 -4.60 105.19 107.69 3g5u n GLY 738 Ca 0.01 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3g5u n GLY 738 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5u s GLY 739 N 0.00 2.23 0.12 -0.02 0.00 -1.26 -5.01 107.32 103.39 3g5u s GLY 739 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 44.72 44.95 3g5u s GLY 739 CO 0.00 2.08 1.52 -0.56 0.00 0.00 0.00 173.10 176.14 3g5u h PRO 740 N 7.27 -0.36 -7.38 2.90 0.13 -2.00 -3.36 132.00 129.20 3g5u h PRO 740 Ca -0.34 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 3g5u h PRO 740 Cb 1.16 0.08 0.11 0.00 0.13 0.00 0.00 31.00 32.49 3g5u h PRO 740 CO 0.86 -0.24 0.33 -1.25 -0.23 0.00 0.00 178.00 177.48 3g5u s PRO 741 N -5.48 2.17 0.00 1.56 0.04 -1.26 -2.86 135.00 129.17 3g5u s PRO 741 Ca -0.13 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.65 3g5u s PRO 741 Cb 0.08 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3g5u s PRO 741 CO 0.58 -1.59 0.00 0.39 0.04 0.00 0.00 177.00 176.42 3g5u n GLU 742 N -3.43 0.00 0.27 4.56 -0.58 -1.26 -4.78 120.64 115.42 3g5u n GLU 742 Ca 0.07 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 3g5u n GLU 742 Cb 0.55 -1.49 0.82 0.00 -0.57 0.00 0.00 31.44 30.75 3g5u n GLU 742 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3g5u h THR 743 N 0.00 0.67 0.04 2.62 1.35 -1.68 0.82 112.91 116.73 3g5u h THR 743 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3g5u h THR 743 Cb 0.00 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3g5u h THR 743 CO 0.00 0.00 -0.02 -0.61 -0.25 0.00 0.00 175.52 174.64 3g5u h GLN 744 N 0.00 -0.05 -0.63 4.72 5.75 -1.86 0.37 115.11 123.41 3g5u h GLN 744 Ca 0.01 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 3g5u h GLN 744 Cb 0.07 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3g5u h GLN 744 CO -0.00 0.40 0.21 -0.09 -2.65 0.00 0.00 178.83 176.70 3g5u h ARG 745 N -0.51 0.96 -0.39 1.69 9.65 -1.61 0.69 114.38 124.86 3g5u h ARG 745 Ca -0.01 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.70 3g5u h ARG 745 Cb 0.47 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 3g5u h ARG 745 CO 0.01 0.84 0.20 1.96 2.80 0.00 0.00 179.97 185.78 3g5u h GLN 746 N 0.89 0.40 0.00 0.20 1.08 0.63 0.82 115.11 119.13 3g5u h GLN 746 Ca 0.20 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3g5u h GLN 746 Cb 0.27 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3g5u h GLN 746 CO -0.01 0.26 0.00 -1.71 -0.95 0.00 0.00 178.83 176.42 3g5u n ASN 747 N -4.91 0.00 -0.09 1.46 2.85 0.13 -1.54 115.26 113.15 3g5u n ASN 747 Ca 0.01 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.52 3g5u n ASN 747 Cb 0.09 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.18 3g5u n ASN 747 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3g5u n SER 748 N 0.00 -0.04 0.00 1.20 7.64 0.23 -0.25 113.62 122.40 3g5u n SER 748 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 3g5u n SER 748 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3g5u n SER 748 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3g5u n ASN 749 N -4.18 0.00 -0.30 6.43 2.85 0.28 -1.17 115.26 119.18 3g5u n ASN 749 Ca 0.06 0.63 0.20 0.00 -0.11 0.00 0.00 54.58 55.36 3g5u n ASN 749 Cb 0.20 -0.13 0.39 0.00 1.24 0.00 0.00 39.78 41.48 3g5u n ASN 749 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3g5u n LEU 750 N -0.94 0.09 0.00 1.20 4.77 0.65 0.12 117.00 122.89 3g5u n LEU 750 Ca 0.00 1.50 0.00 0.00 -0.03 0.00 0.00 56.01 57.48 3g5u n LEU 750 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3g5u n LEU 750 CO 0.00 -1.59 0.47 0.33 -1.33 0.00 0.00 177.39 175.27 3g5u n PHE 751 N -5.16 0.00 -0.28 -1.77 -0.00 0.41 0.11 117.46 110.77 3g5u n PHE 751 Ca 0.27 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.81 3g5u n PHE 751 Cb 0.90 -0.43 0.24 0.00 -0.00 0.00 0.00 39.48 40.19 3g5u n PHE 751 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3g5u h SER 752 N 0.00 0.30 -0.46 -2.13 0.87 0.82 0.32 113.55 113.27 3g5u h SER 752 Ca 0.00 0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3g5u h SER 752 Cb 0.00 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 61.97 3g5u h SER 752 CO 0.00 0.06 -0.23 0.25 -0.53 0.00 0.00 176.83 176.38 3g5u h LEU 753 N 0.43 -0.80 -0.42 2.23 5.85 0.19 0.15 115.31 122.94 3g5u h LEU 753 Ca 0.48 0.18 0.08 0.00 0.84 0.00 0.00 57.88 59.46 3g5u h LEU 753 Cb 0.81 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 3g5u h LEU 753 CO -0.46 -0.26 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.22 3g5u h LEU 754 N -0.14 -0.37 0.00 2.25 3.38 0.47 -1.32 115.31 119.58 3g5u h LEU 754 Ca 0.22 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3g5u h LEU 754 Cb 0.48 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3g5u h LEU 754 CO -0.55 -0.13 0.00 0.33 0.09 0.00 0.00 178.44 178.18 3g5u n PHE 755 N -5.31 0.00 -0.23 1.13 -0.00 0.32 -1.64 117.46 111.74 3g5u n PHE 755 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.50 3g5u n PHE 755 Cb 0.23 0.00 0.07 0.00 -0.00 0.00 0.00 39.48 39.77 3g5u n PHE 755 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 3g5u n LEU 756 N -0.37 -0.28 0.00 -2.13 -0.00 -0.09 -0.70 117.00 113.43 3g5u n LEU 756 Ca 0.00 1.06 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 3g5u n LEU 756 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 3g5u n LEU 756 CO 0.00 -0.99 0.18 -0.38 -0.00 0.00 0.00 177.39 176.20 3g5u n ILE 757 N -4.97 0.00 0.00 1.47 2.08 -0.50 -1.78 119.36 115.66 3g5u n ILE 757 Ca 0.09 0.87 0.00 0.00 0.56 0.00 0.00 62.75 64.26 3g5u n ILE 757 Cb 0.29 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 3g5u n ILE 757 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3g5u n LEU 758 N -0.41 0.00 0.00 1.39 0.00 -0.65 -1.65 117.00 115.68 3g5u n LEU 758 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 56.01 56.50 3g5u n LEU 758 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3g5u n LEU 758 CO 0.00 0.00 0.05 0.61 0.00 0.00 0.00 177.39 178.05 3g5u n GLY 759 N -0.79 -0.34 0.00 -3.96 0.00 0.12 -1.63 105.19 98.60 3g5u n GLY 759 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3g5u n GLY 759 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g5u n ILE 760 N -2.00 0.00 -0.16 -0.61 -0.00 -0.73 -1.76 119.36 114.09 3g5u n ILE 760 Ca 0.00 1.22 -0.03 0.00 -0.00 0.00 0.00 62.75 63.94 3g5u n ILE 760 Cb 0.00 -2.18 -0.02 0.00 -0.00 0.00 0.00 39.64 37.44 3g5u n ILE 760 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3g5u n ILE 761 N -1.63 -0.25 0.46 1.39 5.41 -0.66 -0.32 119.36 123.77 3g5u n ILE 761 Ca 0.00 0.96 -0.18 0.00 1.00 0.00 0.00 62.75 64.52 3g5u n ILE 761 Cb 0.00 -1.21 -0.09 0.00 -0.71 0.00 0.00 39.64 37.63 3g5u n ILE 761 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3g5u h SER 762 N 0.00 -1.01 -0.74 4.38 0.87 -1.38 0.80 113.55 116.47 3g5u h SER 762 Ca 0.09 0.03 0.14 0.00 -1.23 0.00 0.00 61.79 60.83 3g5u h SER 762 Cb 0.19 0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 62.28 3g5u h SER 762 CO -0.38 -0.66 -0.19 0.33 -0.53 0.00 0.00 176.83 175.39 3g5u n PHE 763 N -5.56 0.24 0.00 2.24 -0.00 0.57 0.19 117.46 115.13 3g5u n PHE 763 Ca -0.15 0.90 0.00 0.00 -0.00 0.00 0.00 57.45 58.20 3g5u n PHE 763 Cb 0.47 -0.91 0.00 0.00 -0.00 0.00 0.00 39.48 39.04 3g5u n PHE 763 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3g5u n ILE 764 N -5.19 0.00 -0.08 -2.13 2.08 0.10 -1.81 119.36 112.33 3g5u n ILE 764 Ca 0.11 1.29 -0.01 0.00 0.56 0.00 0.00 62.75 64.70 3g5u n ILE 764 Cb 0.36 -2.25 0.00 0.00 -0.75 0.00 0.00 39.64 37.00 3g5u n ILE 764 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 3g5u n THR 765 N -1.43 -0.11 0.00 1.39 5.66 0.50 0.27 114.28 120.56 3g5u n THR 765 Ca 0.00 0.46 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 3g5u n THR 765 Cb 0.00 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 3g5u n THR 765 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3g5u n PHE 766 N -4.28 0.00 -0.09 1.09 3.01 0.69 -1.18 117.46 116.71 3g5u n PHE 766 Ca 0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.45 3g5u n PHE 766 Cb 0.07 -0.33 -0.02 0.00 -0.01 0.00 0.00 39.48 39.19 3g5u n PHE 766 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3g5u n PHE 767 N -1.50 -0.09 0.00 1.38 7.35 0.14 0.57 117.46 125.31 3g5u n PHE 767 Ca 0.00 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 3g5u n PHE 767 Cb 0.00 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.43 3g5u n PHE 767 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3g5u n LEU 768 N -3.71 0.00 -0.30 -2.13 -0.00 -0.80 -1.52 117.00 108.54 3g5u n LEU 768 Ca 0.00 0.87 0.12 0.00 -0.00 0.00 0.00 56.01 57.00 3g5u n LEU 768 Cb 0.05 -0.37 0.28 0.00 -0.00 0.00 0.00 43.42 43.39 3g5u n LEU 768 CO -0.03 -0.37 0.94 0.06 -0.00 0.00 0.00 177.39 177.99 3g5u h GLN 769 N 0.00 0.20 -0.25 1.47 3.07 0.41 1.08 115.11 121.08 3g5u h GLN 769 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 3g5u h GLN 769 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 3g5u h GLN 769 CO 0.00 0.13 0.08 0.78 0.09 0.00 0.00 178.83 179.92 3g5u h GLY 770 N 0.21 0.38 0.39 0.06 0.00 0.13 -0.98 103.07 103.26 3g5u h GLY 770 Ca 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3g5u h GLY 770 CO -0.65 0.16 -0.19 -2.75 0.00 0.00 0.00 176.54 173.12 3g5u h PHE 771 N 0.36 -0.49 0.26 5.60 -0.00 0.23 -2.11 116.94 120.79 3g5u h PHE 771 Ca 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.04 3g5u h PHE 771 Cb 0.11 0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 36.22 3g5u h PHE 771 CO 0.00 -0.31 -0.18 1.79 -0.00 0.00 0.00 178.31 179.62 3g5u h THR 772 N -0.58 0.00 -0.72 4.41 1.35 -1.10 -2.38 112.91 113.89 3g5u h THR 772 Ca -0.05 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.90 3g5u h THR 772 Cb 0.41 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.78 3g5u h THR 772 CO 0.09 0.00 0.47 2.19 -0.25 0.00 0.00 175.52 178.02 3g5u h PHE 773 N -0.42 0.66 0.02 4.73 -5.15 -1.35 -1.23 116.94 114.19 3g5u h PHE 773 Ca -0.03 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.75 3g5u h PHE 773 Cb 0.34 -0.21 0.00 0.00 0.22 0.00 0.00 35.95 36.30 3g5u h PHE 773 CO -0.01 0.32 -0.01 0.78 -2.00 0.00 0.00 178.31 177.39 3g5u h GLY 774 N 0.63 -0.02 1.54 6.09 0.00 -1.41 -1.21 103.07 108.68 3g5u h GLY 774 Ca 0.33 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.71 3g5u h GLY 774 CO -0.11 -0.01 0.19 1.70 0.00 0.00 0.00 176.54 178.31 3g5u h LYS 775 N -0.09 0.00 -0.03 4.80 3.64 -0.70 1.02 116.57 125.22 3g5u h LYS 775 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3g5u h LYS 775 Cb 0.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3g5u h LYS 775 CO 0.00 0.00 -0.62 0.00 -2.27 0.00 0.00 179.45 176.57 3g5u h ALA 776 N 1.76 0.92 -0.11 5.00 0.00 -0.52 -2.16 119.26 124.14 3g5u h ALA 776 Ca 0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3g5u h ALA 776 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3g5u h ALA 776 CO -0.00 0.76 -0.30 0.78 0.00 0.00 0.00 179.25 180.48 3g5u h GLY 777 N 1.69 0.44 0.00 0.00 0.00 0.18 -1.25 103.07 104.14 3g5u h GLY 777 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3g5u h GLY 777 CO 0.09 0.50 0.00 1.18 0.00 0.00 0.00 176.54 178.31 3g5u n GLU 778 N -4.41 0.00 -0.21 4.80 1.02 0.12 -1.75 120.64 120.21 3g5u n GLU 778 Ca -0.07 0.24 -0.06 0.00 -0.02 0.00 0.00 57.16 57.24 3g5u n GLU 778 Cb 0.48 -1.03 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 3g5u n GLU 778 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3g5u h ILE 779 N 0.00 0.00 -0.83 -3.67 3.07 -1.52 -0.39 117.51 114.17 3g5u h ILE 779 Ca 0.00 0.00 0.15 0.00 1.55 0.00 0.00 64.86 66.56 3g5u h ILE 779 Cb 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 36.82 36.40 3g5u h ILE 779 CO 0.00 0.00 -0.27 0.18 -1.05 0.00 0.00 178.15 177.01 3g5u n LEU 780 N -4.23 -0.42 -0.16 0.16 4.77 -0.47 0.53 117.00 117.18 3g5u n LEU 780 Ca 0.01 1.44 -0.08 0.00 -0.03 0.00 0.00 56.01 57.35 3g5u n LEU 780 Cb 0.15 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3g5u n LEU 780 CO -0.08 -1.34 1.01 0.74 -1.33 0.00 0.00 177.39 176.40 3g5u h THR 781 N 0.00 1.17 0.13 -5.08 2.02 -0.25 -1.21 112.91 109.68 3g5u h THR 781 Ca 0.34 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3g5u h THR 781 Cb 0.55 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3g5u h THR 781 CO -0.84 0.18 -0.06 0.11 0.37 0.00 0.00 175.52 175.28 3g5u h LYS 782 N 0.62 -0.16 0.00 6.66 1.57 1.00 0.23 116.57 126.48 3g5u h LYS 782 Ca 0.17 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3g5u h LYS 782 Cb 0.05 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3g5u h LYS 782 CO -0.03 -0.11 0.44 -0.09 -0.57 0.00 0.00 179.45 179.09 3g5u h ARG 783 N -0.27 0.00 0.00 3.15 2.43 -1.14 0.05 114.38 118.60 3g5u h ARG 783 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3g5u h ARG 783 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3g5u h ARG 783 CO 0.03 0.00 -0.18 1.25 -1.51 0.00 0.00 179.97 179.56 3g5u h LEU 784 N 0.00 0.00 -0.87 3.80 7.12 -0.96 -2.36 115.31 122.04 3g5u h LEU 784 Ca 0.00 -0.54 0.22 0.00 0.13 0.00 0.00 57.88 57.69 3g5u h LEU 784 Cb 0.88 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.88 3g5u h LEU 784 CO 0.00 0.87 0.33 0.03 -0.13 0.00 0.00 178.44 179.54 3g5u h ARG 785 N -1.00 0.33 0.00 1.25 3.08 0.14 -0.42 114.38 117.75 3g5u h ARG 785 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3g5u h ARG 785 Cb 0.67 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3g5u h ARG 785 CO -0.02 0.22 0.00 0.98 -1.07 0.00 0.00 179.97 180.07 3g5u n TYR 786 N -5.10 0.00 -0.29 3.04 -0.00 -0.70 -0.78 117.16 113.32 3g5u n TYR 786 Ca 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.19 3g5u n TYR 786 Cb 0.64 -0.43 0.17 0.00 -0.00 0.00 0.00 39.34 39.72 3g5u n TYR 786 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3g5u n MET 787 N -1.84 -0.07 0.03 2.98 2.81 -0.62 -0.48 117.12 119.93 3g5u n MET 787 Ca 0.00 1.27 -0.13 0.00 -1.81 0.00 0.00 57.70 57.03 3g5u n MET 787 Cb 0.00 -1.95 -0.09 0.00 -0.71 0.00 0.00 33.22 30.47 3g5u n MET 787 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3g5u h VAL 788 N 0.00 1.18 0.21 2.03 2.07 -1.12 -2.21 116.25 118.41 3g5u h VAL 788 Ca 0.44 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3g5u h VAL 788 Cb 0.80 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3g5u h VAL 788 CO -0.82 0.20 -0.53 0.15 0.02 0.00 0.00 177.57 176.59 3g5u h PHE 789 N -0.43 -1.51 -0.52 1.57 -0.00 0.13 -1.21 116.94 114.97 3g5u h PHE 789 Ca -0.01 0.03 0.14 0.00 -0.00 0.00 0.00 57.97 58.13 3g5u h PHE 789 Cb 0.38 0.63 -0.02 0.00 -0.00 0.00 0.00 35.95 36.94 3g5u h PHE 789 CO 0.05 -0.62 0.37 0.87 -0.00 0.00 0.00 178.31 178.97 3g5u h LYS 790 N -0.82 0.09 -0.90 1.11 1.79 -1.43 0.68 116.57 117.09 3g5u h LYS 790 Ca -0.02 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 3g5u h LYS 790 Cb 0.79 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.36 3g5u h LYS 790 CO -0.24 0.06 0.57 0.77 -1.08 0.00 0.00 179.45 179.53 3g5u h SER 791 N 0.09 0.93 0.18 0.86 0.02 -0.60 0.02 113.55 115.05 3g5u h SER 791 Ca 0.25 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3g5u h SER 791 Cb 0.87 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3g5u h SER 791 CO -0.02 0.61 -0.09 0.24 -1.14 0.00 0.00 176.83 176.43 3g5u h MET 792 N 1.07 -0.24 -0.29 3.45 2.86 0.13 0.16 114.93 122.08 3g5u h MET 792 Ca 0.38 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.09 3g5u h MET 792 Cb 0.10 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.73 3g5u h MET 792 CO -0.15 0.17 -0.42 1.25 1.06 0.00 0.00 176.91 178.82 3g5u h LEU 793 N -0.78 -1.36 -0.48 1.22 7.12 -0.96 0.13 115.31 120.19 3g5u h LEU 793 Ca -0.03 0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.19 3g5u h LEU 793 Cb 0.52 0.58 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 3g5u h LEU 793 CO 0.04 -0.39 0.32 0.03 -0.13 0.00 0.00 178.44 178.31 3g5u h ARG 794 N -0.39 0.64 0.00 1.25 3.08 -1.06 -3.42 114.38 114.47 3g5u h ARG 794 Ca 0.11 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 3g5u h ARG 794 Cb 0.60 -0.14 0.04 0.00 0.08 0.00 0.00 29.97 30.54 3g5u h ARG 794 CO -0.50 0.42 -0.03 1.04 -1.07 0.00 0.00 179.97 179.83 3g5u n GLN 795 N -4.75 -2.13 0.00 0.04 1.13 0.57 -4.73 117.38 107.51 3g5u n GLN 795 Ca 0.02 -0.28 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 3g5u n GLN 795 Cb 0.02 -0.39 0.00 0.00 0.11 0.00 0.00 30.24 29.98 3g5u n GLN 795 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3g5u n ASP 796 N -3.16 0.00 -0.57 1.08 3.85 -1.26 -4.90 116.55 111.60 3g5u n ASP 796 Ca 0.03 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.11 3g5u n ASP 796 Cb 0.11 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 3g5u n ASP 796 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3g5u n VAL 797 N 0.00 0.00 0.00 2.12 0.31 -1.26 -3.12 118.33 116.37 3g5u n VAL 797 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3g5u n VAL 797 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3g5u n VAL 797 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3g5u n SER 798 N 0.00 0.00 0.00 4.52 7.64 -1.26 -1.58 113.62 122.93 3g5u n SER 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3g5u n SER 798 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3g5u n SER 798 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3g5u n TRP 799 N -0.17 0.00 0.28 1.43 -0.00 -1.18 -1.59 117.44 116.20 3g5u n TRP 799 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 3g5u n TRP 799 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 31.31 31.44 3g5u n TRP 799 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3g5u h PHE 800 N 0.00 0.00 -0.02 5.87 0.04 -1.51 -1.85 116.94 119.47 3g5u h PHE 800 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3g5u h PHE 800 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3g5u h PHE 800 CO 0.00 0.00 0.07 -0.44 -0.60 0.00 0.00 178.31 177.34 3g5u h ASP 801 N 0.00 0.00 -0.46 2.17 5.19 -1.29 -3.29 116.42 118.74 3g5u h ASP 801 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3g5u h ASP 801 Cb 0.93 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.29 3g5u h ASP 801 CO 0.00 0.00 -0.25 -0.62 -3.12 0.00 0.00 179.24 175.25 3g5u s ASP 802 N -5.28 -0.67 0.00 6.45 2.15 -0.62 -4.79 116.67 113.91 3g5u s ASP 802 Ca -0.05 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.13 3g5u s ASP 802 Cb 0.13 0.87 0.00 0.00 -0.30 0.00 0.00 42.92 43.62 3g5u s ASP 802 CO 0.43 -0.02 0.00 -0.81 -0.17 0.00 0.00 175.17 174.59 3g5u n PRO 803 N 2.70 3.70 0.00 4.34 -0.04 -0.70 -4.53 135.00 140.47 3g5u n PRO 803 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3g5u n PRO 803 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 3g5u n PRO 803 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3g5u n LYS 804 N 0.00 0.00 -3.33 0.54 0.00 -1.26 -5.02 118.16 109.08 3g5u n LYS 804 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 3g5u n LYS 804 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 3g5u n LYS 804 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3g5u n ASN 805 N 0.00 3.72 -4.22 -5.58 3.02 -1.26 -4.93 115.26 106.01 3g5u n ASN 805 Ca 0.00 -3.45 -0.34 0.00 -0.03 0.00 0.00 54.58 50.75 3g5u n ASN 805 Cb 0.00 -0.65 0.10 0.00 -0.61 0.00 0.00 39.78 38.62 3g5u n ASN 805 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3g5u n THR 806 N 0.69 0.00 -0.16 3.41 5.66 -1.26 -4.65 114.28 117.97 3g5u n THR 806 Ca 0.30 -0.27 -0.04 0.00 -3.05 0.00 0.00 64.05 60.99 3g5u n THR 806 Cb 0.41 -0.38 0.02 0.00 -1.55 0.00 0.00 70.33 68.84 3g5u n THR 806 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3g5u h THR 807 N -1.46 0.32 0.06 1.09 2.02 -1.99 -2.08 112.91 110.87 3g5u h THR 807 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3g5u h THR 807 Cb 1.32 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3g5u h THR 807 CO 0.31 0.00 -0.08 1.23 0.37 0.00 0.00 175.52 177.35 3g5u h GLY 808 N -0.12 -0.88 -0.64 2.16 0.00 -1.99 0.21 103.07 101.82 3g5u h GLY 808 Ca 0.23 0.39 0.23 0.00 0.00 0.00 0.00 47.33 48.18 3g5u h GLY 808 CO -0.58 -0.32 0.40 0.00 0.00 0.00 0.00 176.54 176.05 3g5u n ALA 809 N -2.38 0.64 -0.07 3.60 0.00 -0.99 0.13 120.51 121.44 3g5u n ALA 809 Ca -0.02 0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 3g5u n ALA 809 Cb 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 3g5u n ALA 809 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g5u h LEU 810 N 0.00 0.00 -0.60 0.00 3.38 -0.38 -1.26 115.31 116.45 3g5u h LEU 810 Ca 0.43 -0.73 0.11 0.00 0.09 0.00 0.00 57.88 57.78 3g5u h LEU 810 Cb 1.34 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.01 3g5u h LEU 810 CO -0.25 0.94 0.14 0.71 0.09 0.00 0.00 178.44 180.07 3g5u h THR 811 N -1.00 0.67 0.00 0.22 1.35 0.42 -0.56 112.91 114.00 3g5u h THR 811 Ca -0.03 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3g5u h THR 811 Cb 0.82 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3g5u h THR 811 CO -0.02 0.05 0.00 0.41 -0.25 0.00 0.00 175.52 175.71 3g5u n THR 812 N -5.10 0.00 -0.24 6.82 -1.04 0.19 -1.56 114.28 113.35 3g5u n THR 812 Ca 0.09 1.33 -0.06 0.00 -2.04 0.00 0.00 64.05 63.36 3g5u n THR 812 Cb 0.31 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 3g5u n THR 812 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3g5u n ARG 813 N -2.13 -0.25 0.00 -2.82 5.12 -0.48 -1.62 116.66 114.48 3g5u n ARG 813 Ca 0.00 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 3g5u n ARG 813 Cb 0.00 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 3g5u n ARG 813 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3g5u n LEU 814 N -4.55 0.00 0.00 0.55 7.99 -0.30 -1.45 117.00 119.24 3g5u n LEU 814 Ca 0.01 0.68 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 3g5u n LEU 814 Cb 0.15 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 3g5u n LEU 814 CO -0.09 -0.18 0.36 0.00 -1.51 0.00 0.00 177.39 175.96 3g5u n ALA 815 N -1.59 -0.11 -0.29 -1.18 0.00 -0.64 -2.03 120.51 114.66 3g5u n ALA 815 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3g5u n ALA 815 Cb 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 3g5u n ALA 815 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3g5u h ASN 816 N 0.00 -1.78 -0.21 0.00 7.08 -1.48 -2.40 115.58 116.78 3g5u h ASN 816 Ca 0.00 0.28 0.05 0.00 -3.08 0.00 0.00 56.30 53.56 3g5u h ASN 816 Cb 0.00 0.80 -0.06 0.00 -2.08 0.00 0.00 38.32 36.98 3g5u h ASN 816 CO 0.00 -0.31 -0.15 0.44 -2.08 0.00 0.00 177.43 175.33 3g5u h ASP 817 N -0.15 -0.49 -0.56 6.14 3.32 -1.25 -1.10 116.42 122.33 3g5u h ASP 817 Ca 0.18 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.44 3g5u h ASP 817 Cb 0.53 0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.22 3g5u h ASP 817 CO -0.80 -0.19 -0.16 0.00 -1.72 0.00 0.00 179.24 176.37 3g5u h ALA 818 N 0.99 0.34 -0.17 3.45 0.00 -0.91 -1.73 119.26 121.22 3g5u h ALA 818 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g5u h ALA 818 Cb 0.33 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3g5u h ALA 818 CO -0.30 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.49 3g5u n ALA 819 N -2.98 -0.18 -0.28 0.00 0.00 -0.51 -2.34 120.51 114.22 3g5u n ALA 819 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 819 Cb 0.30 0.30 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3g5u n ALA 819 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g5u n GLN 820 N -2.51 -0.27 -0.20 0.00 1.13 -0.63 -0.37 117.38 114.53 3g5u n GLN 820 Ca 0.00 1.05 -0.00 0.00 -1.94 0.00 0.00 57.00 56.10 3g5u n GLN 820 Cb 0.00 -1.54 0.10 0.00 0.11 0.00 0.00 30.24 28.91 3g5u n GLN 820 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3g5u h VAL 821 N 0.00 0.76 -1.14 5.09 -1.51 -1.10 1.54 116.25 119.89 3g5u h VAL 821 Ca 0.14 -0.13 0.37 0.00 -1.23 0.00 0.00 66.70 65.85 3g5u h VAL 821 Cb 0.31 0.34 -0.13 0.00 -2.13 0.00 0.00 31.29 29.68 3g5u h VAL 821 CO -0.66 0.07 0.70 0.50 -1.23 0.00 0.00 177.57 176.95 3g5u h LYS 822 N 0.38 0.20 -0.43 5.19 3.64 -0.30 1.01 116.57 126.26 3g5u h LYS 822 Ca 0.30 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3g5u h LYS 822 Cb 0.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3g5u h LYS 822 CO -0.31 0.13 0.19 0.78 -2.27 0.00 0.00 179.45 177.97 3g5u h GLY 823 N 0.20 0.67 1.15 5.01 0.00 0.25 -2.29 103.07 108.07 3g5u h GLY 823 Ca 0.76 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.82 3g5u h GLY 823 CO -0.49 0.33 0.38 0.00 0.00 0.00 0.00 176.54 176.75 3g5u h ALA 824 N 1.04 1.95 0.01 3.60 0.00 0.15 -1.90 119.26 124.11 3g5u h ALA 824 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3g5u h ALA 824 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3g5u h ALA 824 CO -0.02 -0.06 -0.13 1.15 0.00 0.00 0.00 179.25 180.19 3g5u h THR 825 N 0.44 1.63 -0.02 0.00 2.02 -1.14 -2.70 112.91 113.14 3g5u h THR 825 Ca 0.25 -2.04 0.01 0.00 0.77 0.00 0.00 66.41 65.40 3g5u h THR 825 Cb 0.42 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 3g5u h THR 825 CO -0.07 0.54 0.03 1.23 0.37 0.00 0.00 175.52 177.62 3g5u h GLY 826 N -0.71 0.00 0.57 2.16 0.00 -1.37 -1.21 103.07 102.50 3g5u h GLY 826 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3g5u h GLY 826 CO 0.03 0.00 -0.01 0.23 0.00 0.00 0.00 176.54 176.78 3g5u h SER 827 N 0.00 -0.03 -0.94 0.19 0.87 -1.34 -1.82 113.55 110.48 3g5u h SER 827 Ca 0.01 -0.41 0.24 0.00 -1.23 0.00 0.00 61.79 60.40 3g5u h SER 827 Cb 0.06 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 3g5u h SER 827 CO -0.00 0.40 0.63 0.03 -0.53 0.00 0.00 176.83 177.36 3g5u h ARG 828 N -0.47 0.25 0.74 2.24 2.47 -0.89 -1.82 114.38 116.91 3g5u h ARG 828 Ca -0.00 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 3g5u h ARG 828 Cb 0.44 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3g5u h ARG 828 CO 0.01 0.17 -0.36 -0.07 0.56 0.00 0.00 179.97 180.28 3g5u h LEU 829 N 0.26 -0.84 0.00 3.04 3.38 -0.98 -2.56 115.31 117.62 3g5u h LEU 829 Ca 0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3g5u h LEU 829 Cb 1.44 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3g5u h LEU 829 CO -0.14 -0.56 0.01 0.00 0.09 0.00 0.00 178.44 177.84 3g5u n ALA 830 N -2.57 1.20 -0.02 1.53 0.00 -0.73 -2.16 120.51 117.76 3g5u n ALA 830 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 3g5u n ALA 830 Cb 0.39 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 3g5u n ALA 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g5u h VAL 831 N 0.00 0.00 -0.70 0.00 2.07 -1.04 -2.77 116.25 113.81 3g5u h VAL 831 Ca 0.00 -0.41 0.15 0.00 0.82 0.00 0.00 66.70 67.26 3g5u h VAL 831 Cb 0.01 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.67 3g5u h VAL 831 CO 0.00 0.00 0.13 -0.29 0.02 0.00 0.00 177.57 177.43 3g5u h ILE 832 N -0.41 0.52 0.00 4.57 2.10 -1.05 -1.51 117.51 121.73 3g5u h ILE 832 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3g5u h ILE 832 Cb 0.07 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.06 3g5u h ILE 832 CO 0.00 0.04 0.00 0.33 -1.08 0.00 0.00 178.15 177.44 3g5u n PHE 833 N -5.18 0.00 -0.32 2.19 7.35 -0.92 -1.93 117.46 118.65 3g5u n PHE 833 Ca 0.13 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 57.05 3g5u n PHE 833 Cb 0.43 0.00 0.46 0.00 0.35 0.00 0.00 39.48 40.71 3g5u n PHE 833 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 3g5u h GLN 834 N 0.00 0.15 0.00 -4.13 3.07 -1.44 -1.43 115.11 111.33 3g5u h GLN 834 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3g5u h GLN 834 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.53 3g5u h GLN 834 CO 0.00 0.10 0.00 -1.71 0.09 0.00 0.00 178.83 177.31 3g5u n ASN 835 N -5.21 0.00 -0.07 0.06 5.15 -0.58 -1.77 115.26 112.84 3g5u n ASN 835 Ca 0.31 0.82 -0.07 0.00 -0.60 0.00 0.00 54.58 55.05 3g5u n ASN 835 Cb 1.01 -0.32 -0.05 0.00 -0.53 0.00 0.00 39.78 39.88 3g5u n ASN 835 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3g5u h ILE 836 N 0.00 0.00 0.00 -1.44 1.08 -0.58 -1.75 117.51 114.82 3g5u h ILE 836 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3g5u h ILE 836 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 3g5u h ILE 836 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 3g5u n ALA 837 N -2.90 0.00 -0.38 1.87 0.00 -0.92 -0.36 120.51 117.82 3g5u n ALA 837 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3g5u n ALA 837 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3g5u n ALA 837 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3g5u n ASN 838 N 0.00 0.00 0.00 0.00 4.05 -0.73 -2.08 115.26 116.50 3g5u n ASN 838 Ca 0.00 0.74 0.00 0.00 0.45 0.00 0.00 54.58 55.77 3g5u n ASN 838 Cb 0.00 -0.27 0.00 0.00 1.23 0.00 0.00 39.78 40.74 3g5u n ASN 838 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3g5u n LEU 839 N -2.13 0.02 0.00 1.20 7.94 -0.66 -1.54 117.00 121.83 3g5u n LEU 839 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3g5u n LEU 839 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3g5u n LEU 839 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3g5u n GLY 840 N 0.21 0.00 0.24 -3.96 0.00 0.51 0.17 105.19 102.36 3g5u n GLY 840 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3g5u n GLY 840 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g5u h THR 841 N 0.00 1.22 -0.42 2.61 2.02 -1.18 -1.58 112.91 115.58 3g5u h THR 841 Ca 0.00 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 3g5u h THR 841 Cb 0.00 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3g5u h THR 841 CO 0.00 0.26 0.25 1.23 0.37 0.00 0.00 175.52 177.63 3g5u h GLY 842 N 0.69 0.61 1.17 2.16 0.00 0.28 -1.73 103.07 106.25 3g5u h GLY 842 Ca 0.17 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3g5u h GLY 842 CO -0.01 0.25 0.01 -2.22 0.00 0.00 0.00 176.54 174.57 3g5u h ILE 843 N 0.55 1.26 0.49 2.60 2.04 0.10 0.89 117.51 125.44 3g5u h ILE 843 Ca 0.15 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3g5u h ILE 843 Cb 0.01 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3g5u h ILE 843 CO -0.03 0.40 -0.23 0.40 0.00 0.00 0.00 178.15 178.69 3g5u h ILE 844 N 0.92 0.52 0.00 -0.67 1.08 -1.12 0.23 117.51 118.47 3g5u h ILE 844 Ca 0.17 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 3g5u h ILE 844 Cb 0.52 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3g5u h ILE 844 CO 0.03 0.01 0.00 -0.38 -0.69 0.00 0.00 178.15 177.12 3g5u n ILE 845 N -5.35 1.11 0.11 -0.67 2.08 -0.67 0.91 119.36 116.88 3g5u n ILE 845 Ca -0.12 0.50 -0.03 0.00 0.56 0.00 0.00 62.75 63.66 3g5u n ILE 845 Cb 0.28 -1.46 0.05 0.00 -0.75 0.00 0.00 39.64 37.77 3g5u n ILE 845 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3g5u h SER 846 N 0.00 0.00 0.88 4.38 0.02 0.38 -1.70 113.55 117.51 3g5u h SER 846 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3g5u h SER 846 Cb 0.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3g5u h SER 846 CO 0.00 0.77 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.97 3g5u h LEU 847 N 0.00 -1.00 -1.25 5.07 4.07 0.32 0.13 115.31 122.65 3g5u h LEU 847 Ca -0.01 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3g5u h LEU 847 Cb 1.38 0.26 0.00 0.00 1.08 0.00 0.00 40.66 43.38 3g5u h LEU 847 CO 0.10 -0.66 0.23 -0.29 -1.08 0.00 0.00 178.44 176.74 3g5u h ILE 848 N -1.29 0.00 -3.89 1.22 6.09 -1.39 -3.38 117.51 114.86 3g5u h ILE 848 Ca -0.12 0.00 -0.51 0.00 -1.37 0.00 0.00 64.86 62.86 3g5u h ILE 848 Cb 0.90 0.42 0.05 0.00 0.47 0.00 0.00 36.82 38.66 3g5u h ILE 848 CO 0.20 0.00 0.54 -0.31 -3.07 0.00 0.00 178.15 175.51 3g5u s TYR 849 N -3.53 3.17 -1.12 2.19 4.12 0.44 -4.92 117.35 117.71 3g5u s TYR 849 Ca -0.02 1.54 -0.04 0.00 0.02 0.00 0.00 57.07 58.58 3g5u s TYR 849 Cb 0.05 -3.46 0.27 0.00 -1.52 0.00 0.00 41.96 37.30 3g5u s TYR 849 CO 0.17 -1.32 1.81 0.41 0.02 0.00 0.00 175.55 176.64 3g5u n GLY 850 N 0.81 5.53 2.00 0.71 0.00 -1.26 -4.72 105.19 108.26 3g5u n GLY 850 Ca 0.02 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.57 3g5u n GLY 850 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3g5u n TRP 851 N 1.12 0.00 -0.06 1.61 2.14 -1.26 -3.55 117.44 117.43 3g5u n TRP 851 Ca 0.42 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.84 3g5u n TRP 851 Cb 0.29 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.73 3g5u n TRP 851 CO 0.00 0.00 0.00 0.37 2.07 0.00 0.00 177.69 180.13 3g5u h GLN 852 N 0.00 0.73 0.00 -2.67 4.15 -1.96 0.11 115.11 115.47 3g5u h GLN 852 Ca 0.00 -0.49 -0.02 0.00 0.77 0.00 0.00 58.65 58.91 3g5u h GLN 852 Cb 0.00 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 3g5u h GLN 852 CO 0.00 1.11 -0.91 1.28 -1.93 0.00 0.00 178.83 178.38 3g5u n LEU 853 N -4.13 1.90 -0.05 -2.39 7.99 -1.23 -3.52 117.00 115.57 3g5u n LEU 853 Ca -0.06 0.43 -0.01 0.00 -0.01 0.00 0.00 56.01 56.36 3g5u n LEU 853 Cb 0.59 -0.79 -0.01 0.00 -0.11 0.00 0.00 43.42 43.10 3g5u n LEU 853 CO 0.48 -0.29 0.25 0.41 -1.51 0.00 0.00 177.39 176.73 3g5u n THR 854 N -4.50 -0.08 0.31 -5.08 -1.04 -1.25 -0.20 114.28 102.43 3g5u n THR 854 Ca -0.14 0.85 -0.18 0.00 -2.04 0.00 0.00 64.05 62.55 3g5u n THR 854 Cb 0.46 -1.11 -0.09 0.00 -1.82 0.00 0.00 70.33 67.77 3g5u n THR 854 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3g5u h LEU 855 N 0.00 -1.19 -0.11 -4.42 5.85 -1.01 -0.98 115.31 113.44 3g5u h LEU 855 Ca 0.02 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3g5u h LEU 855 Cb 0.05 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3g5u h LEU 855 CO -0.11 -0.63 -0.10 0.25 -0.34 0.00 0.00 178.44 177.52 3g5u h LEU 856 N -0.96 -0.34 -0.43 2.25 5.85 -0.58 0.16 115.31 121.26 3g5u h LEU 856 Ca -0.06 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3g5u h LEU 856 Cb 0.82 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 3g5u h LEU 856 CO -0.02 -0.05 -0.32 0.25 -0.34 0.00 0.00 178.44 177.96 3g5u h LEU 857 N -0.04 -1.14 -1.54 2.25 6.46 -0.57 0.48 115.31 121.22 3g5u h LEU 857 Ca 0.02 0.16 0.33 0.00 -0.12 0.00 0.00 57.88 58.28 3g5u h LEU 857 Cb 0.09 0.49 -0.09 0.00 -0.73 0.00 0.00 40.66 40.42 3g5u h LEU 857 CO -0.13 -0.16 0.78 0.17 -0.62 0.00 0.00 178.44 178.47 3g5u h LEU 858 N -0.09 0.28 0.62 2.25 8.10 -0.50 0.74 115.31 126.71 3g5u h LEU 858 Ca 0.07 0.07 -0.03 0.00 0.11 0.00 0.00 57.88 58.10 3g5u h LEU 858 Cb 0.27 0.03 0.01 0.00 -0.44 0.00 0.00 40.66 40.53 3g5u h LEU 858 CO -0.45 0.00 -0.30 0.00 -4.11 0.00 0.00 178.44 173.59 3g5u h ALA 859 N 1.55 -0.83 0.09 0.17 0.00 0.28 -2.56 119.26 117.96 3g5u h ALA 859 Ca 0.65 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3g5u h ALA 859 Cb 1.99 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 20.06 3g5u h ALA 859 CO -0.25 -0.84 -0.49 0.82 0.00 0.00 0.00 179.25 178.49 3g5u h ILE 860 N -1.08 0.00 -0.32 0.00 1.08 0.22 -2.11 117.51 115.29 3g5u h ILE 860 Ca -0.08 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.42 3g5u h ILE 860 Cb 0.68 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 3g5u h ILE 860 CO 0.14 0.00 -0.46 0.58 -0.69 0.00 0.00 178.15 177.72 3g5u h VAL 861 N -0.68 0.00 -0.74 1.67 2.07 -0.31 0.86 116.25 119.11 3g5u h VAL 861 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 3g5u h VAL 861 Cb 0.70 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.33 3g5u h VAL 861 CO -0.28 0.00 -0.08 -0.65 0.02 0.00 0.00 177.57 176.58 3g5u h PRO 862 N -0.34 0.05 0.14 1.57 0.11 -1.13 0.37 132.00 132.77 3g5u h PRO 862 Ca 0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3g5u h PRO 862 Cb 0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3g5u h PRO 862 CO -0.48 0.03 -0.14 0.82 -0.21 0.00 0.00 178.00 178.02 3g5u h ILE 863 N 0.05 0.69 -0.50 4.15 5.03 -0.26 0.37 117.51 127.05 3g5u h ILE 863 Ca 0.39 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 65.06 3g5u h ILE 863 Cb 0.64 0.69 -0.02 0.00 -3.03 0.00 0.00 36.82 35.11 3g5u h ILE 863 CO -0.71 0.00 0.05 0.16 -0.68 0.00 0.00 178.15 176.97 3g5u h ILE 864 N -0.30 1.23 0.19 -0.67 3.07 -0.37 0.07 117.51 120.74 3g5u h ILE 864 Ca 0.00 -0.93 -0.01 0.00 1.55 0.00 0.00 64.86 65.48 3g5u h ILE 864 Cb 0.29 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 3g5u h ILE 864 CO -0.03 0.33 -0.09 0.00 -1.05 0.00 0.00 178.15 177.31 3g5u h ALA 865 N 1.30 -0.26 -1.13 0.16 0.00 -0.05 -1.50 119.26 117.78 3g5u h ALA 865 Ca 0.16 -0.11 0.31 0.00 0.00 0.00 0.00 54.91 55.27 3g5u h ALA 865 Cb 0.39 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 3g5u h ALA 865 CO 0.01 -0.58 0.75 0.82 0.00 0.00 0.00 179.25 180.25 3g5u h ILE 866 N -0.39 0.43 0.57 0.00 2.04 0.43 0.32 117.51 120.90 3g5u h ILE 866 Ca -0.03 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3g5u h ILE 866 Cb 0.30 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3g5u h ILE 866 CO 0.04 0.04 -0.27 0.00 0.00 0.00 0.00 178.15 177.96 3g5u h ALA 867 N 1.56 -0.94 -0.49 1.87 0.00 -0.21 0.01 119.26 121.06 3g5u h ALA 867 Ca 0.62 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.43 3g5u h ALA 867 Cb 1.88 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.90 3g5u h ALA 867 CO -0.24 -0.88 -0.22 0.41 0.00 0.00 0.00 179.25 178.32 3g5u n GLY 868 N -0.62 -1.09 0.00 0.00 0.00 0.10 -0.57 105.19 103.02 3g5u n GLY 868 Ca -0.10 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3g5u n GLY 868 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g5u n VAL 869 N -4.69 0.00 -0.31 1.61 0.31 -0.81 -2.27 118.33 112.18 3g5u n VAL 869 Ca 0.04 1.38 0.15 0.00 -0.01 0.00 0.00 64.34 65.89 3g5u n VAL 869 Cb 0.17 -2.37 0.31 0.00 -0.91 0.00 0.00 33.84 31.04 3g5u n VAL 869 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3g5u h VAL 870 N 0.00 0.23 0.64 2.52 3.04 0.29 -1.25 116.25 121.73 3g5u h VAL 870 Ca 0.00 -0.05 -0.03 0.00 -1.01 0.00 0.00 66.70 65.61 3g5u h VAL 870 Cb 0.00 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.34 3g5u h VAL 870 CO 0.00 0.03 -0.43 -0.08 -1.01 0.00 0.00 177.57 176.08 3g5u h GLU 871 N 0.15 -0.97 -0.98 4.17 4.81 -0.88 -2.16 114.58 118.71 3g5u h GLU 871 Ca 0.58 0.07 0.19 0.00 -0.13 0.00 0.00 59.36 60.07 3g5u h GLU 871 Cb 1.22 0.22 -0.11 0.00 0.63 0.00 0.00 28.75 30.72 3g5u h GLU 871 CO -0.72 -0.65 0.58 1.98 -0.73 0.00 0.00 179.01 179.47 3g5u h MET 872 N -1.01 0.70 0.30 1.92 4.05 -0.89 -1.69 114.93 118.30 3g5u h MET 872 Ca -0.09 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 3g5u h MET 872 Cb 0.82 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3g5u h MET 872 CO 0.06 0.46 -0.34 -0.22 0.23 0.00 0.00 176.91 177.10 3g5u h LYS 873 N 0.72 -0.63 -0.97 0.39 1.63 -0.98 -1.24 116.57 115.49 3g5u h LYS 873 Ca 0.57 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.50 3g5u h LYS 873 Cb 0.91 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 32.60 3g5u h LYS 873 CO -0.40 -0.42 0.62 1.98 -3.45 0.00 0.00 179.45 177.78 3g5u h MET 874 N -0.65 1.03 -0.84 1.90 4.05 -1.15 -0.24 114.93 119.03 3g5u h MET 874 Ca -0.04 -0.06 0.13 0.00 -0.28 0.00 0.00 59.70 59.45 3g5u h MET 874 Cb 0.58 -0.23 -0.09 0.00 -0.80 0.00 0.00 31.60 31.05 3g5u h MET 874 CO -0.07 0.68 0.44 1.25 0.23 0.00 0.00 176.91 179.45 3g5u h LEU 875 N 1.06 0.57 0.18 3.39 6.46 -1.05 -1.53 115.31 124.38 3g5u h LEU 875 Ca 0.45 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.28 3g5u h LEU 875 Cb 0.29 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 3g5u h LEU 875 CO -0.21 0.26 -0.08 0.28 -0.62 0.00 0.00 178.44 178.07 3g5u h SER 876 N 0.67 -0.20 -0.66 1.25 0.02 0.15 -2.12 113.55 112.66 3g5u h SER 876 Ca 0.44 -0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.30 3g5u h SER 876 Cb 0.58 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 63.05 3g5u h SER 876 CO -0.33 0.11 -0.35 1.23 -1.14 0.00 0.00 176.83 176.34 3g5u h GLY 877 N -0.52 -0.11 1.01 -3.77 0.00 -0.38 0.47 103.07 99.77 3g5u h GLY 877 Ca -0.02 0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 3g5u h GLY 877 CO 0.04 -0.20 0.30 1.46 0.00 0.00 0.00 176.54 178.14 3g5u h GLN 878 N -0.14 1.01 0.38 4.80 1.08 -1.34 -1.43 115.11 119.47 3g5u h GLN 878 Ca 0.25 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3g5u h GLN 878 Cb 0.56 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3g5u h GLN 878 CO -0.73 0.82 -0.34 0.00 -0.95 0.00 0.00 178.83 177.63 3g5u h ALA 879 N 1.14 -0.75 0.37 3.87 0.00 -0.30 -2.14 119.26 121.45 3g5u h ALA 879 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3g5u h ALA 879 Cb 0.16 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3g5u h ALA 879 CO -0.02 -0.95 -0.18 1.25 0.00 0.00 0.00 179.25 179.35 3g5u h LEU 880 N -0.73 -0.42 -0.70 0.00 5.85 -0.91 -2.00 115.31 116.40 3g5u h LEU 880 Ca -0.03 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.83 3g5u h LEU 880 Cb 0.64 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.67 3g5u h LEU 880 CO -0.04 -0.27 0.09 0.07 -0.34 0.00 0.00 178.44 177.95 3g5u h LYS 881 N -0.54 0.18 -0.41 1.25 2.10 -1.28 0.34 116.57 118.21 3g5u h LYS 881 Ca -0.05 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.61 3g5u h LYS 881 Cb 0.41 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.67 3g5u h LYS 881 CO 0.08 0.12 0.24 0.22 -2.00 0.00 0.00 179.45 178.11 3g5u h ASP 882 N 0.18 0.38 -1.02 7.07 3.58 -1.26 0.73 116.42 126.08 3g5u h ASP 882 Ca 0.38 0.00 0.30 0.00 0.42 0.00 0.00 57.03 58.13 3g5u h ASP 882 Cb 0.65 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 3g5u h ASP 882 CO -0.55 0.27 0.82 0.11 -2.88 0.00 0.00 179.24 177.02 3g5u h LYS 883 N 0.48 0.00 0.23 0.28 1.79 0.39 -0.60 116.57 119.14 3g5u h LYS 883 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 3g5u h LYS 883 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3g5u h LYS 883 CO -0.08 0.00 -0.11 0.87 -1.08 0.00 0.00 179.45 179.05 3g5u h LYS 884 N 0.00 -0.29 -0.36 3.15 1.79 0.18 -1.85 116.57 119.19 3g5u h LYS 884 Ca 0.48 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 59.03 3g5u h LYS 884 Cb 2.12 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 32.75 3g5u h LYS 884 CO -0.01 -0.20 -0.48 0.93 -1.08 0.00 0.00 179.45 178.61 3g5u h GLU 885 N -1.01 -0.38 -0.94 3.15 5.08 -0.23 0.53 114.58 120.79 3g5u h GLU 885 Ca -0.03 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 3g5u h GLU 885 Cb 0.23 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3g5u h GLU 885 CO 0.05 -0.25 0.62 1.37 -1.00 0.00 0.00 179.01 179.80 3g5u h LEU 886 N -0.39 0.44 -0.88 1.33 8.10 -1.30 0.29 115.31 122.90 3g5u h LEU 886 Ca 0.10 0.05 0.01 0.00 0.11 0.00 0.00 57.88 58.15 3g5u h LEU 886 Cb 0.60 -0.03 -0.04 0.00 -0.44 0.00 0.00 40.66 40.75 3g5u h LEU 886 CO -0.56 0.16 0.58 1.05 -4.11 0.00 0.00 178.44 175.56 3g5u h GLU 887 N 0.43 1.15 0.23 0.17 4.11 0.92 0.68 114.58 122.27 3g5u h GLU 887 Ca 0.50 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.87 3g5u h GLU 887 Cb 1.23 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3g5u h GLU 887 CO -0.21 0.76 -0.39 0.78 0.07 0.00 0.00 179.01 180.02 3g5u h GLY 888 N 1.19 -0.85 0.00 1.06 0.00 0.48 0.16 103.07 105.10 3g5u h GLY 888 Ca 0.32 0.46 0.00 0.00 0.00 0.00 0.00 47.33 48.12 3g5u h GLY 888 CO -0.07 -0.29 0.00 1.44 0.00 0.00 0.00 176.54 177.62 3g5u n SER 889 N -5.47 0.00 -0.32 0.19 7.64 -0.71 -2.39 113.62 112.56 3g5u n SER 889 Ca -0.08 0.82 0.24 0.00 1.01 0.00 0.00 58.87 60.85 3g5u n SER 889 Cb 0.38 -0.32 0.46 0.00 -1.01 0.00 0.00 64.21 63.72 3g5u n SER 889 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3g5u h GLY 890 N 0.00 1.92 0.33 0.23 0.00 0.33 0.75 103.07 106.63 3g5u h GLY 890 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3g5u h GLY 890 CO 0.00 -0.58 -0.35 0.50 0.00 0.00 0.00 176.54 176.11 3g5u h LYS 891 N 0.16 -0.54 0.00 4.80 1.57 -0.60 -1.11 116.57 120.86 3g5u h LYS 891 Ca 0.73 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.49 3g5u h LYS 891 Cb 1.71 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 3g5u h LYS 891 CO -0.71 -0.36 -0.23 -0.84 -0.57 0.00 0.00 179.45 176.74 3g5u h ILE 892 N -0.56 0.96 0.00 1.86 3.07 -0.52 -1.54 117.51 120.78 3g5u h ILE 892 Ca 0.04 -0.85 -0.04 0.00 1.55 0.00 0.00 64.86 65.56 3g5u h ILE 892 Cb 0.61 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 3g5u h ILE 892 CO -0.24 0.23 -0.20 0.00 -1.05 0.00 0.00 178.15 176.89 3g5u h ALA 893 N 1.77 1.20 0.11 0.16 0.00 -0.48 -0.10 119.26 121.91 3g5u h ALA 893 Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 3g5u h ALA 893 Cb 0.47 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.25 3g5u h ALA 893 CO 0.03 0.25 -1.11 1.15 0.00 0.00 0.00 179.25 179.57 3g5u h THR 894 N 0.00 1.33 -0.75 0.00 2.02 -0.28 -2.30 112.91 112.93 3g5u h THR 894 Ca -0.00 -2.42 0.14 0.00 0.77 0.00 0.00 66.41 64.90 3g5u h THR 894 Cb 0.53 2.75 -0.14 0.00 -1.74 0.00 0.00 68.15 69.55 3g5u h THR 894 CO 0.03 0.73 -0.26 -0.08 0.37 0.00 0.00 175.52 176.30 3g5u h GLU 895 N 0.14 -0.05 0.42 6.66 4.81 -0.23 0.55 114.58 126.89 3g5u h GLU 895 Ca -0.17 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3g5u h GLU 895 Cb 1.81 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.20 3g5u h GLU 895 CO 0.21 -0.03 -0.20 0.00 -0.73 0.00 0.00 179.01 178.26 3g5u h ALA 896 N 1.48 -0.61 -0.99 2.92 0.00 -1.44 -2.35 119.26 118.26 3g5u h ALA 896 Ca 0.33 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.24 3g5u h ALA 896 Cb 0.57 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 3g5u h ALA 896 CO -0.79 -0.57 0.62 -0.84 0.00 0.00 0.00 179.25 177.67 3g5u h ILE 897 N -1.05 0.90 0.00 0.00 -0.00 -1.26 0.54 117.51 116.64 3g5u h ILE 897 Ca -0.06 -0.33 0.00 0.00 -0.00 0.00 0.00 64.86 64.47 3g5u h ILE 897 Cb 0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 36.82 37.11 3g5u h ILE 897 CO 0.09 0.18 0.00 -0.08 -0.00 0.00 0.00 178.15 178.34 3g5u h GLU 898 N 0.96 0.00 -0.29 0.16 4.81 0.03 -3.17 114.58 117.09 3g5u h GLU 898 Ca 0.50 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.59 3g5u h GLU 898 Cb 0.51 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.81 3g5u h GLU 898 CO -0.27 0.00 -0.14 0.09 -0.73 0.00 0.00 179.01 177.95 3g5u n ASN 899 N -2.94 2.41 0.00 1.04 3.02 0.18 -4.92 115.26 114.05 3g5u n ASN 899 Ca -0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 3g5u n ASN 899 Cb 0.22 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3g5u n ASN 899 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 3g5u n PHE 900 N -1.10 0.00 0.00 3.10 1.16 -1.00 -2.79 117.46 116.83 3g5u n PHE 900 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.88 3g5u n PHE 900 Cb 0.97 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.84 3g5u n PHE 900 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3g5u n ARG 901 N -1.00 0.00 0.00 3.97 3.00 -1.26 0.81 116.66 122.18 3g5u n ARG 901 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3g5u n ARG 901 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.16 3g5u n ARG 901 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3g5u n THR 902 N 0.97 0.00 0.07 0.55 5.66 -1.12 -4.53 114.28 115.87 3g5u n THR 902 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 3g5u n THR 902 Cb 0.00 -1.26 0.18 0.00 -1.55 0.00 0.00 70.33 67.69 3g5u n THR 902 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3g5u n VAL 903 N -2.88 1.21 -0.24 1.08 3.14 0.24 0.10 118.33 120.99 3g5u n VAL 903 Ca 0.00 0.60 0.01 0.00 -2.96 0.00 0.00 64.34 61.98 3g5u n VAL 903 Cb 0.49 -1.60 0.13 0.00 -1.06 0.00 0.00 33.84 31.80 3g5u n VAL 903 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 3g5u h VAL 904 N 0.00 0.85 0.00 1.55 3.04 -1.80 -3.16 116.25 116.73 3g5u h VAL 904 Ca 0.00 -0.20 -0.22 0.00 -1.01 0.00 0.00 66.70 65.27 3g5u h VAL 904 Cb 0.30 0.22 -0.04 0.00 -2.01 0.00 0.00 31.29 29.75 3g5u h VAL 904 CO 0.00 0.11 -1.84 -1.20 -1.01 0.00 0.00 177.57 173.62 3g5u n SER 905 N -4.87 2.44 0.00 3.17 7.64 0.29 -4.80 113.62 117.49 3g5u n SER 905 Ca 0.10 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3g5u n SER 905 Cb 0.26 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3g5u n SER 905 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3g5u n LEU 906 N -2.69 0.86 -3.48 -3.43 0.00 0.21 -4.62 117.00 103.85 3g5u n LEU 906 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.38 3g5u n LEU 906 Cb 0.84 -1.91 -0.01 0.00 0.00 0.00 0.00 43.42 42.34 3g5u n LEU 906 CO 0.20 -0.72 2.84 0.35 0.00 0.00 0.00 177.39 180.07 3g5u n THR 907 N -2.10 4.50 0.00 1.96 -2.24 -1.26 -3.19 114.28 111.95 3g5u n THR 907 Ca 0.00 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 3g5u n THR 907 Cb 0.29 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.10 3g5u n THR 907 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3g5u n ARG 908 N 3.38 0.00 0.00 -0.78 0.00 -1.26 -4.70 116.66 113.30 3g5u n ARG 908 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 3g5u n ARG 908 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.73 3g5u n ARG 908 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3g5u n GLU 909 N -1.12 0.00 0.24 2.89 4.71 -1.19 0.30 120.64 126.46 3g5u n GLU 909 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.98 3g5u n GLU 909 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 3g5u n GLU 909 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 3g5u h GLN 910 N 0.00 -0.87 -0.31 3.49 5.75 -1.98 0.28 115.11 121.47 3g5u h GLN 910 Ca 0.00 0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.66 3g5u h GLN 910 Cb 0.00 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 3g5u h GLN 910 CO 0.00 -0.58 0.07 1.17 -2.65 0.00 0.00 178.83 176.85 3g5u n LYS 911 N -5.36 -0.02 0.00 1.69 0.00 0.41 0.20 118.16 115.08 3g5u n LYS 911 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 58.31 58.65 3g5u n LYS 911 Cb 0.43 -0.75 0.00 0.00 0.00 0.00 0.00 35.03 34.71 3g5u n LYS 911 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3g5u n PHE 912 N -4.01 0.00 0.16 5.64 -0.00 0.88 -1.30 117.46 118.83 3g5u n PHE 912 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.64 3g5u n PHE 912 Cb 0.31 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 40.00 3g5u n PHE 912 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3g5u h GLU 913 N 0.00 0.00 0.43 -4.13 4.39 -0.08 1.93 114.58 117.12 3g5u h GLU 913 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3g5u h GLU 913 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3g5u h GLU 913 CO 0.00 0.00 -0.21 1.15 -1.16 0.00 0.00 179.01 178.79 3g5u h THR 914 N 0.00 0.54 -1.03 1.13 2.02 0.23 0.14 112.91 115.94 3g5u h THR 914 Ca 0.15 -0.37 0.26 0.00 0.77 0.00 0.00 66.41 67.22 3g5u h THR 914 Cb 2.15 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 69.18 3g5u h THR 914 CO -0.00 0.06 0.67 0.24 0.37 0.00 0.00 175.52 176.86 3g5u h MET 915 N -0.81 0.35 0.00 6.66 2.86 0.44 2.47 114.93 126.91 3g5u h MET 915 Ca -0.06 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3g5u h MET 915 Cb 0.55 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3g5u h MET 915 CO 0.10 0.23 -0.02 1.88 1.06 0.00 0.00 176.91 180.16 3g5u h TYR 916 N 0.36 0.00 -0.30 -0.22 0.05 -0.88 -1.90 116.97 114.08 3g5u h TYR 916 Ca 0.57 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.28 3g5u h TYR 916 Cb 1.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.24 3g5u h TYR 916 CO -0.00 0.02 -0.12 0.00 -1.05 0.00 0.00 178.16 177.00 3g5u h ALA 917 N 1.98 1.22 0.45 3.88 0.00 0.70 -1.42 119.26 126.08 3g5u h ALA 917 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3g5u h ALA 917 Cb 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3g5u h ALA 917 CO 0.00 0.50 -0.22 1.96 0.00 0.00 0.00 179.25 181.50 3g5u h GLN 918 N 0.48 -0.59 -0.98 0.00 1.08 -0.50 -1.33 115.11 113.27 3g5u h GLN 918 Ca 0.09 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.42 3g5u h GLN 918 Cb 0.50 0.13 -0.12 0.00 -0.05 0.00 0.00 27.48 27.95 3g5u h GLN 918 CO 0.03 -0.39 -0.57 -1.13 -0.95 0.00 0.00 178.83 175.82 3g5u n SER 919 N -4.27 -1.02 -0.04 1.46 3.41 -0.95 0.14 113.62 112.34 3g5u n SER 919 Ca -0.08 1.75 -0.01 0.00 -0.26 0.00 0.00 58.87 60.27 3g5u n SER 919 Cb 0.24 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 3g5u n SER 919 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3g5u h LEU 920 N 0.00 -0.22 -0.06 1.04 -0.00 -1.29 -0.59 115.31 114.18 3g5u h LEU 920 Ca 0.16 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 58.09 3g5u h LEU 920 Cb 0.41 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3g5u h LEU 920 CO -0.93 -0.03 -0.03 1.67 -0.00 0.00 0.00 178.44 179.13 3g5u n GLN 921 N -3.22 -0.02 0.33 1.13 7.27 0.12 0.69 117.38 123.68 3g5u n GLN 921 Ca 0.00 0.10 -0.13 0.00 0.07 0.00 0.00 57.00 57.04 3g5u n GLN 921 Cb 0.03 -0.14 -0.06 0.00 2.41 0.00 0.00 30.24 32.47 3g5u n GLN 921 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3g5u h ILE 922 N 0.00 0.00 0.00 1.69 1.08 -0.67 -2.16 117.51 117.45 3g5u h ILE 922 Ca 0.02 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3g5u h ILE 922 Cb 0.03 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.78 3g5u h ILE 922 CO -0.06 0.00 0.22 -2.65 -0.69 0.00 0.00 178.15 174.97 3g5u n PRO 923 N -4.67 0.04 -0.03 2.37 -0.02 0.22 -1.42 135.00 131.49 3g5u n PRO 923 Ca -0.11 0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 61.74 3g5u n PRO 923 Cb 0.34 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 3g5u n PRO 923 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3g5u h TYR 924 N 0.00 -0.05 -0.29 6.00 -0.00 -0.49 -1.67 116.97 120.46 3g5u h TYR 924 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.79 3g5u h TYR 924 Cb 0.45 0.02 -0.05 0.00 -0.00 0.00 0.00 36.73 37.14 3g5u h TYR 924 CO 0.00 0.37 -0.05 0.00 -0.00 0.00 0.00 178.16 178.48 3g5u h ARG 925 N -0.99 0.03 -0.95 1.82 3.08 -0.66 0.36 114.38 117.07 3g5u h ARG 925 Ca -0.01 -0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.27 3g5u h ARG 925 Cb 0.44 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 3g5u h ARG 925 CO 0.01 0.02 0.63 -0.97 -1.07 0.00 0.00 179.97 178.59 3g5u h ASN 926 N 0.03 0.39 -0.25 7.04 -0.73 -1.49 -0.23 115.58 120.34 3g5u h ASN 926 Ca 0.14 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 3g5u h ASN 926 Cb 0.21 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 3g5u h ASN 926 CO -0.28 0.13 0.11 0.00 -0.37 0.00 0.00 177.43 177.02 3g5u h ALA 927 N 1.60 0.32 -0.56 1.57 0.00 0.70 -2.30 119.26 120.59 3g5u h ALA 927 Ca 0.51 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.39 3g5u h ALA 927 Cb 1.32 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 3g5u h ALA 927 CO -0.20 -0.11 0.26 0.52 0.00 0.00 0.00 179.25 179.72 3g5u h MET 928 N 0.26 0.48 0.07 0.00 2.86 -0.30 -1.54 114.93 116.76 3g5u h MET 928 Ca 0.08 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3g5u h MET 928 Cb 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3g5u h MET 928 CO -0.01 0.32 -0.07 -0.22 1.06 0.00 0.00 176.91 177.98 3g5u h LYS 929 N 0.50 -0.14 -0.60 1.72 3.64 -1.23 -1.98 116.57 118.48 3g5u h LYS 929 Ca 0.26 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.83 3g5u h LYS 929 Cb 0.22 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3g5u h LYS 929 CO -0.21 -0.09 0.93 1.57 -2.27 0.00 0.00 179.45 179.37 3g5u h LYS 930 N -0.15 0.00 0.00 1.90 2.10 -1.26 0.76 116.57 119.93 3g5u h LYS 930 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3g5u h LYS 930 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3g5u h LYS 930 CO -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.44 3g5u n ALA 931 N -2.08 -0.37 -0.30 0.07 0.00 -0.60 -0.61 120.51 116.62 3g5u n ALA 931 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 3g5u n ALA 931 Cb 1.12 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.61 3g5u n ALA 931 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3g5u n HIS 932 N -1.64 0.03 -0.17 0.00 -0.00 0.25 0.15 115.22 113.84 3g5u n HIS 932 Ca 0.00 0.96 -0.12 0.00 -0.00 0.00 0.00 57.72 58.56 3g5u n HIS 932 Cb 0.00 -0.80 -0.08 0.00 -0.00 0.00 0.00 29.99 29.11 3g5u n HIS 932 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3g5u h VAL 933 N 0.00 0.03 -1.02 3.57 2.07 -0.86 0.82 116.25 120.86 3g5u h VAL 933 Ca 0.27 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.04 3g5u h VAL 933 Cb 0.47 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.16 3g5u h VAL 933 CO -0.77 0.00 0.63 -0.26 0.02 0.00 0.00 177.57 177.19 3g5u h PHE 934 N -0.33 0.87 0.00 1.57 -1.00 0.21 -1.72 116.94 116.55 3g5u h PHE 934 Ca 0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3g5u h PHE 934 Cb 0.58 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.88 3g5u h PHE 934 CO -0.74 0.08 0.00 0.41 -1.61 0.00 0.00 178.31 176.45 3g5u n GLY 935 N -1.38 -2.96 0.35 -1.45 0.00 0.28 -1.82 105.19 98.20 3g5u n GLY 935 Ca 0.26 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 3g5u n GLY 935 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g5u n ILE 936 N -0.80 -0.49 0.00 -0.61 3.06 -0.68 -1.56 119.36 118.28 3g5u n ILE 936 Ca 0.00 2.09 0.00 0.00 -2.50 0.00 0.00 62.75 62.34 3g5u n ILE 936 Cb 0.00 -2.73 0.00 0.00 0.54 0.00 0.00 39.64 37.45 3g5u n ILE 936 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3g5u n THR 937 N -5.27 0.00 -0.30 9.51 -2.24 -0.66 -1.27 114.28 114.05 3g5u n THR 937 Ca 0.08 1.38 -0.04 0.00 -2.27 0.00 0.00 64.05 63.20 3g5u n THR 937 Cb 0.33 -2.07 -0.01 0.00 -2.10 0.00 0.00 70.33 66.48 3g5u n THR 937 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3g5u n PHE 938 N -2.20 -0.13 0.00 4.78 -0.00 -0.60 -1.29 117.46 118.02 3g5u n PHE 938 Ca 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 57.45 58.39 3g5u n PHE 938 Cb 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 39.48 38.79 3g5u n PHE 938 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3g5u n SER 939 N -5.04 0.00 -0.36 -2.13 3.41 -0.66 -1.19 113.62 107.65 3g5u n SER 939 Ca 0.05 0.92 0.29 0.00 -0.26 0.00 0.00 58.87 59.88 3g5u n SER 939 Cb 0.26 -0.42 0.48 0.00 -0.26 0.00 0.00 64.21 64.26 3g5u n SER 939 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3g5u n PHE 940 N -2.24 0.37 -0.07 7.33 -0.00 -0.40 0.27 117.46 122.72 3g5u n PHE 940 Ca 0.00 0.37 -0.13 0.00 -0.00 0.00 0.00 57.45 57.70 3g5u n PHE 940 Cb 0.00 -0.75 -0.06 0.00 -0.00 0.00 0.00 39.48 38.67 3g5u n PHE 940 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3g5u h THR 941 N 0.00 1.32 -0.24 -2.13 2.02 -0.58 -2.22 112.91 111.08 3g5u h THR 941 Ca 0.60 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 3g5u h THR 941 Cb 2.06 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 3g5u h THR 941 CO -0.25 0.38 -0.26 1.56 0.37 0.00 0.00 175.52 177.32 3g5u h GLN 942 N 0.11 0.47 -0.76 6.66 1.08 0.43 -1.59 115.11 121.51 3g5u h GLN 942 Ca 0.04 -0.18 0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3g5u h GLN 942 Cb 0.65 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 3g5u h GLN 942 CO 0.04 0.69 0.46 0.00 -0.95 0.00 0.00 178.83 179.07 3g5u h ALA 943 N 1.31 1.02 -0.82 3.87 0.00 -1.17 0.99 119.26 124.46 3g5u h ALA 943 Ca 0.06 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3g5u h ALA 943 Cb 0.68 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3g5u h ALA 943 CO 0.05 0.20 0.54 0.52 0.00 0.00 0.00 179.25 180.57 3g5u h MET 944 N 0.87 0.44 -0.01 0.00 2.86 -0.66 -0.32 114.93 118.10 3g5u h MET 944 Ca 0.33 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3g5u h MET 944 Cb 0.12 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3g5u h MET 944 CO -0.15 0.29 -0.21 1.98 1.06 0.00 0.00 176.91 179.87 3g5u h MET 945 N 0.45 -0.25 0.89 1.72 -1.53 0.16 -0.20 114.93 116.17 3g5u h MET 945 Ca 0.41 0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.65 3g5u h MET 945 Cb 0.93 0.06 0.01 0.00 -0.55 0.00 0.00 31.60 32.04 3g5u h MET 945 CO -0.15 -0.17 -0.44 0.10 0.14 0.00 0.00 176.91 176.39 3g5u h TYR 946 N -0.26 -1.15 -0.83 1.39 -0.00 -0.83 -2.11 116.97 113.18 3g5u h TYR 946 Ca 0.01 -0.02 0.08 0.00 -0.00 0.00 0.00 58.73 58.79 3g5u h TYR 946 Cb 0.28 0.39 -0.10 0.00 -0.00 0.00 0.00 36.73 37.30 3g5u h TYR 946 CO -0.43 -0.71 -0.47 1.19 -0.00 0.00 0.00 178.16 177.74 3g5u n PHE 947 N -5.62 -0.32 0.00 0.10 3.01 -0.25 -1.15 117.46 113.23 3g5u n PHE 947 Ca -0.16 1.03 0.00 0.00 1.01 0.00 0.00 57.45 59.33 3g5u n PHE 947 Cb 0.49 -0.59 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 3g5u n PHE 947 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3g5u n SER 948 N -5.05 0.00 0.00 4.37 7.64 -0.09 -1.59 113.62 118.90 3g5u n SER 948 Ca 0.02 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.57 3g5u n SER 948 Cb 0.23 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3g5u n SER 948 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3g5u n TYR 949 N -1.42 0.00 -0.03 1.43 4.02 -0.59 -1.22 117.16 119.34 3g5u n TYR 949 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 3g5u n TYR 949 Cb 0.00 -0.12 -0.01 0.00 -0.02 0.00 0.00 39.34 39.20 3g5u n TYR 949 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g5u n ALA 950 N -1.46 -0.05 -0.37 -0.72 0.00 -0.30 0.76 120.51 118.36 3g5u n ALA 950 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3g5u n ALA 950 Cb 0.00 0.35 0.08 0.00 0.00 0.00 0.00 19.45 19.88 3g5u n ALA 950 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 951 N -2.86 0.03 -0.47 0.00 0.00 -0.62 -0.30 120.51 116.29 3g5u n ALA 951 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.48 3g5u n ALA 951 Cb 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3g5u n ALA 951 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 952 N -3.54 -0.15 -0.27 0.00 0.00 0.23 -0.41 120.51 116.37 3g5u n ALA 952 Ca 0.13 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.79 3g5u n ALA 952 Cb 0.44 0.16 0.55 0.00 0.00 0.00 0.00 19.45 20.61 3g5u n ALA 952 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3g5u h PHE 953 N 0.00 0.48 0.45 0.00 0.04 -0.67 -1.17 116.94 116.07 3g5u h PHE 953 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3g5u h PHE 953 Cb 0.00 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3g5u h PHE 953 CO -0.14 0.09 -0.22 -0.09 -0.60 0.00 0.00 178.31 177.35 3g5u h ARG 954 N 0.32 -0.59 -0.43 1.51 1.12 -0.36 -1.96 114.38 114.00 3g5u h ARG 954 Ca 0.51 0.04 0.09 0.00 -1.11 0.00 0.00 59.98 59.51 3g5u h ARG 954 Cb 1.43 0.13 -0.09 0.00 -0.01 0.00 0.00 29.97 31.43 3g5u h ARG 954 CO -0.18 -0.39 -0.25 0.35 -3.11 0.00 0.00 179.97 176.39 3g5u h PHE 955 N -0.75 -0.66 0.00 2.20 -0.00 -0.32 -1.81 116.94 115.61 3g5u h PHE 955 Ca -0.06 0.05 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 3g5u h PHE 955 Cb 0.47 0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.77 3g5u h PHE 955 CO 0.07 -0.33 0.00 0.41 -0.00 0.00 0.00 178.31 178.47 3g5u n GLY 956 N -1.40 -2.83 0.21 2.40 0.00 -0.48 -1.09 105.19 102.00 3g5u n GLY 956 Ca 0.02 0.33 0.13 0.00 0.00 0.00 0.00 46.02 46.50 3g5u n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n ALA 957 N -2.54 0.44 0.00 4.61 0.00 -0.74 -4.59 120.51 117.69 3g5u n ALA 957 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3g5u n ALA 957 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3g5u n ALA 957 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3g5u n TYR 958 N -4.65 0.00 -3.18 0.00 9.36 -0.25 -4.28 117.16 114.15 3g5u n TYR 958 Ca 0.18 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.23 3g5u n TYR 958 Cb 0.60 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.33 3g5u n TYR 958 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3g5u n LEU 959 N 0.00 -5.52 0.00 2.98 0.00 -1.26 -4.12 117.00 109.08 3g5u n LEU 959 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 56.01 56.07 3g5u n LEU 959 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 43.42 40.74 3g5u n LEU 959 CO 0.00 -1.17 0.18 1.33 0.00 0.00 0.00 177.39 177.73 3g5u n VAL 960 N -0.79 0.09 -0.31 1.96 0.24 -1.26 -0.34 118.33 117.91 3g5u n VAL 960 Ca -0.01 -0.31 0.14 0.00 -2.04 0.00 0.00 64.34 62.11 3g5u n VAL 960 Cb 0.56 1.34 0.32 0.00 -1.47 0.00 0.00 33.84 34.59 3g5u n VAL 960 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3g5u h THR 961 N 0.63 0.51 0.00 3.34 2.02 -1.90 -2.82 112.91 114.69 3g5u h THR 961 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3g5u h THR 961 Cb 0.32 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3g5u h THR 961 CO 0.00 0.08 0.00 1.67 0.37 0.00 0.00 175.52 177.64 3g5u n GLN 962 N -5.00 0.71 -1.18 6.66 7.27 -1.26 -3.35 117.38 121.23 3g5u n GLN 962 Ca 0.23 -0.69 0.00 0.00 0.07 0.00 0.00 57.00 56.61 3g5u n GLN 962 Cb 0.66 -0.72 0.00 0.00 2.41 0.00 0.00 30.24 32.59 3g5u n GLN 962 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3g5u n GLN 963 N -0.14 0.00 -4.36 3.69 6.02 -1.06 -5.01 117.38 116.52 3g5u n GLN 963 Ca 0.00 0.39 -0.28 0.00 -0.01 0.00 0.00 57.00 57.10 3g5u n GLN 963 Cb 0.30 -0.91 -0.07 0.00 1.02 0.00 0.00 30.24 30.58 3g5u n GLN 963 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3g5u s LEU 964 N -0.26 2.76 0.00 1.08 1.98 0.53 -4.95 118.68 119.82 3g5u s LEU 964 Ca 0.00 -1.33 0.00 0.00 -2.89 0.00 0.00 54.13 49.91 3g5u s LEU 964 Cb 0.00 -1.09 0.00 0.00 0.66 0.00 0.00 46.19 45.76 3g5u s LEU 964 CO 0.00 -0.72 0.00 0.23 -1.89 0.00 0.00 176.35 173.97 3g5u n MET 965 N -1.29 0.00 -3.79 1.98 2.81 -1.26 -4.20 117.12 111.36 3g5u n MET 965 Ca -0.07 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.45 3g5u n MET 965 Cb 0.66 -1.10 -0.13 0.00 -0.71 0.00 0.00 33.22 31.94 3g5u n MET 965 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3g5u s THR 966 N -0.52 3.59 0.00 2.03 -4.23 -1.26 -4.98 115.64 110.27 3g5u s THR 966 Ca 0.00 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3g5u s THR 966 Cb 0.00 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3g5u s THR 966 CO 0.00 -0.14 0.00 2.22 -0.54 0.00 0.00 174.62 176.16 3g5u n PHE 967 N 4.77 0.00 -0.24 3.99 1.16 -1.26 -4.63 117.46 121.25 3g5u n PHE 967 Ca -0.13 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.47 3g5u n PHE 967 Cb 0.45 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.41 3g5u n PHE 967 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3g5u h GLU 968 N 0.00 0.03 -0.78 3.97 4.22 -1.97 -3.12 114.58 116.92 3g5u h GLU 968 Ca 0.00 -0.00 0.23 0.00 0.08 0.00 0.00 59.36 59.67 3g5u h GLU 968 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3g5u h GLU 968 CO 0.00 0.02 0.55 0.27 -2.18 0.00 0.00 179.01 177.67 3g5u n ASN 969 N -5.43 0.02 -0.06 1.04 2.04 -1.26 0.91 115.26 112.52 3g5u n ASN 969 Ca 0.10 0.44 0.25 0.00 -0.44 0.00 0.00 54.58 54.93 3g5u n ASN 969 Cb 0.39 -0.22 0.65 0.00 -2.53 0.00 0.00 39.78 38.07 3g5u n ASN 969 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 3g5u h VAL 970 N 0.00 0.24 -0.03 3.53 -1.51 -1.96 2.20 116.25 118.72 3g5u h VAL 970 Ca 0.39 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.75 3g5u h VAL 970 Cb 1.51 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 3g5u h VAL 970 CO -0.04 0.00 -0.49 -0.07 -1.23 0.00 0.00 177.57 175.75 3g5u h LEU 971 N 0.00 0.09 -0.84 4.19 -0.00 0.23 0.15 115.31 119.13 3g5u h LEU 971 Ca 0.34 -0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 58.10 3g5u h LEU 971 Cb 1.83 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.45 3g5u h LEU 971 CO -0.00 0.56 -0.34 -0.07 -0.00 0.00 0.00 178.44 178.58 3g5u h LEU 972 N 0.07 0.00 -0.73 1.67 4.07 0.34 -2.17 115.31 118.56 3g5u h LEU 972 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3g5u h LEU 972 Cb 0.88 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 3g5u h LEU 972 CO 0.07 0.34 0.44 0.58 -1.08 0.00 0.00 178.44 178.79 3g5u h VAL 973 N 0.00 1.21 -0.30 1.22 2.07 0.11 0.35 116.25 120.91 3g5u h VAL 973 Ca -0.00 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3g5u h VAL 973 Cb 0.93 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3g5u h VAL 973 CO 0.04 0.22 0.20 0.15 0.02 0.00 0.00 177.57 178.20 3g5u h PHE 974 N 1.00 0.30 -0.46 1.57 3.04 -0.80 -1.79 116.94 119.80 3g5u h PHE 974 Ca 0.26 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.25 3g5u h PHE 974 Cb -0.03 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 3g5u h PHE 974 CO -0.01 0.18 0.25 0.77 -2.02 0.00 0.00 178.31 177.48 3g5u h SER 975 N 0.32 0.38 1.13 0.41 0.02 0.30 0.21 113.55 116.31 3g5u h SER 975 Ca 0.12 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3g5u h SER 975 Cb 0.10 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3g5u h SER 975 CO -0.03 0.27 -0.63 0.00 -1.14 0.00 0.00 176.83 175.30 3g5u h ALA 976 N 1.23 0.68 0.01 3.77 0.00 -0.63 -1.01 119.26 123.31 3g5u h ALA 976 Ca 0.20 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3g5u h ALA 976 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g5u h ALA 976 CO -0.12 0.79 -0.01 0.82 0.00 0.00 0.00 179.25 180.73 3g5u h ILE 977 N 0.00 1.36 0.00 0.00 2.04 -1.24 -1.78 117.51 117.88 3g5u h ILE 977 Ca -0.01 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3g5u h ILE 977 Cb 1.36 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3g5u h ILE 977 CO 0.08 0.29 0.00 0.55 0.00 0.00 0.00 178.15 179.08 3g5u n VAL 978 N -4.86 0.94 0.15 1.67 3.14 0.72 -1.98 118.33 118.11 3g5u n VAL 978 Ca -0.08 0.45 -0.07 0.00 -2.96 0.00 0.00 64.34 61.68 3g5u n VAL 978 Cb 0.25 -1.41 -0.03 0.00 -1.06 0.00 0.00 33.84 31.59 3g5u n VAL 978 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 3g5u h PHE 979 N 0.00 -0.42 -0.78 1.45 0.04 -0.42 -1.65 116.94 115.17 3g5u h PHE 979 Ca 0.00 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 60.94 3g5u h PHE 979 Cb 0.20 0.14 -0.13 0.00 2.20 0.00 0.00 35.95 38.36 3g5u h PHE 979 CO 0.00 -0.26 0.02 0.78 -0.60 0.00 0.00 178.31 178.25 3g5u h GLY 980 N -0.89 0.90 1.80 -1.45 0.00 -1.03 1.09 103.07 103.50 3g5u h GLY 980 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3g5u h GLY 980 CO 0.08 -0.30 0.07 0.00 0.00 0.00 0.00 176.54 176.38 3g5u h ALA 981 N 1.73 1.98 0.22 3.60 0.00 -1.41 -1.39 119.26 123.98 3g5u h ALA 981 Ca 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3g5u h ALA 981 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3g5u h ALA 981 CO -0.68 -0.12 -0.10 0.00 0.00 0.00 0.00 179.25 178.35 3g5u h MET 982 N 0.00 -0.28 -0.00 0.00 3.00 0.22 -1.92 114.93 115.94 3g5u h MET 982 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.76 3g5u h MET 982 Cb 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 31.60 31.85 3g5u h MET 982 CO -0.00 0.04 0.00 0.00 0.00 0.00 0.00 176.91 176.95 3g5u h ALA 983 N 0.06 1.62 0.03 -3.00 0.00 -0.77 0.13 119.26 117.33 3g5u h ALA 983 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g5u h ALA 983 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3g5u h ALA 983 CO 0.05 -0.00 -0.04 0.28 0.00 0.00 0.00 179.25 179.54 3g5u h VAL 984 N 0.00 0.91 -0.82 0.00 2.07 -0.58 -1.37 116.25 116.46 3g5u h VAL 984 Ca 0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.72 3g5u h VAL 984 Cb 0.01 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 30.56 3g5u h VAL 984 CO -0.00 0.00 0.25 1.23 0.02 0.00 0.00 177.57 179.07 3g5u h GLY 985 N -0.08 1.25 0.95 2.17 0.00 -0.01 -1.49 103.07 105.86 3g5u h GLY 985 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3g5u h GLY 985 CO -0.02 -0.26 -0.07 1.46 0.00 0.00 0.00 176.54 177.66 3g5u h GLN 986 N 0.30 -0.18 -0.27 4.80 7.50 -0.95 -3.02 115.11 123.29 3g5u h GLN 986 Ca 0.49 0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.69 3g5u h GLN 986 Cb 0.90 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.44 3g5u h GLN 986 CO -0.55 -0.08 0.06 -0.24 -1.50 0.00 0.00 178.83 176.52 3g5u h VAL 987 N -0.24 0.88 -0.33 -0.54 3.04 -0.57 -2.35 116.25 116.14 3g5u h VAL 987 Ca -0.02 -0.06 -0.22 0.00 -1.01 0.00 0.00 66.70 65.40 3g5u h VAL 987 Cb 0.19 0.71 -0.09 0.00 -2.01 0.00 0.00 31.29 30.08 3g5u h VAL 987 CO 0.03 0.03 0.24 -1.20 -1.01 0.00 0.00 177.57 175.66 3g5u n SER 988 N -5.08 6.04 -0.68 3.17 7.64 -0.63 -4.85 113.62 119.23 3g5u n SER 988 Ca -0.01 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.05 3g5u n SER 988 Cb 0.11 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3g5u n SER 988 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3g5u n SER 989 N 0.87 0.00 0.00 6.43 7.64 -0.89 -4.96 113.62 122.72 3g5u n SER 989 Ca 0.22 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.42 3g5u n SER 989 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 3g5u n SER 989 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3g5u n PHE 990 N 0.00 -0.40 -0.30 1.43 3.01 -1.26 -4.79 117.46 115.15 3g5u n PHE 990 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 3g5u n PHE 990 Cb 0.00 0.10 0.20 0.00 -0.01 0.00 0.00 39.48 39.77 3g5u n PHE 990 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g5u n ALA 991 N 3.08 -3.38 -1.75 4.37 0.00 -1.26 -4.92 120.51 116.64 3g5u n ALA 991 Ca 0.00 -1.08 -0.39 0.00 0.00 0.00 0.00 53.44 51.98 3g5u n ALA 991 Cb 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.39 3g5u n ALA 991 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g5u s PRO 992 N -4.49 3.27 0.00 0.00 0.04 -1.26 -4.70 135.00 127.86 3g5u s PRO 992 Ca 0.47 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.81 3g5u s PRO 992 Cb -0.07 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3g5u s PRO 992 CO 0.39 -1.11 0.16 -0.25 0.04 0.00 0.00 177.00 176.23 3g5u n ASP 993 N -0.82 0.00 0.00 6.66 8.00 -1.26 -4.35 116.55 124.78 3g5u n ASP 993 Ca 0.09 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.90 3g5u n ASP 993 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3g5u n ASP 993 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g5u n TYR 994 N 1.99 0.00 0.00 1.24 4.19 -1.26 -4.61 117.16 118.71 3g5u n TYR 994 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3g5u n TYR 994 Cb 0.00 -0.87 0.00 0.00 0.49 0.00 0.00 39.34 38.96 3g5u n TYR 994 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3g5u n ALA 995 N 0.80 0.00 -0.11 2.98 0.00 -1.26 -2.93 120.51 119.99 3g5u n ALA 995 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 3g5u n ALA 995 Cb 0.05 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.95 3g5u n ALA 995 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3g5u h LYS 996 N 0.00 0.00 0.04 0.00 -0.00 -1.92 1.30 116.57 115.99 3g5u h LYS 996 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3g5u h LYS 996 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 3g5u h LYS 996 CO 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 179.45 179.43 3g5u h ALA 997 N 0.65 -0.05 -0.49 0.07 0.00 -1.87 -0.28 119.26 117.29 3g5u h ALA 997 Ca 0.39 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3g5u h ALA 997 Cb 2.52 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.29 3g5u h ALA 997 CO -0.00 -0.14 0.24 1.15 0.00 0.00 0.00 179.25 180.50 3g5u h THR 998 N -0.83 0.95 0.39 0.00 2.02 0.17 0.69 112.91 116.29 3g5u h THR 998 Ca -0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3g5u h THR 998 Cb 0.69 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3g5u h THR 998 CO 0.01 0.09 -0.49 0.58 0.37 0.00 0.00 175.52 176.08 3g5u h VAL 999 N 0.47 0.00 -0.88 3.16 2.07 -0.92 0.26 116.25 120.41 3g5u h VAL 999 Ca 0.22 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.90 3g5u h VAL 999 Cb 0.13 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 3g5u h VAL 999 CO -0.16 0.00 0.47 0.28 0.02 0.00 0.00 177.57 178.18 3g5u h SER 1000N -0.90 0.56 0.60 0.57 0.02 -0.37 -0.96 113.55 113.08 3g5u h SER 1000Ca -0.05 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3g5u h SER 1000Cb 0.80 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3g5u h SER 1000CO -0.11 0.21 -0.34 0.00 -1.14 0.00 0.00 176.83 175.45 3g5u h ALA 1001N 1.59 -0.89 -0.71 3.77 0.00 0.15 -1.34 119.26 121.83 3g5u h ALA 1001Ca 0.49 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.37 3g5u h ALA 1001Cb 0.74 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 3g5u h ALA 1001CO -0.38 -1.01 -0.09 0.77 0.00 0.00 0.00 179.25 178.54 3g5u h SER 1002N -0.88 -0.49 0.00 0.00 0.02 0.12 0.58 113.55 112.89 3g5u h SER 1002Ca -0.08 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3g5u h SER 1002Cb 0.70 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3g5u h SER 1002CO 0.10 -0.20 0.00 1.41 -1.14 0.00 0.00 176.83 177.00 3g5u n HIS 1003N -5.40 0.00 0.30 3.45 -0.00 -0.42 -0.43 115.22 112.72 3g5u n HIS 1003Ca 0.11 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.98 3g5u n HIS 1003Cb 0.40 -0.48 0.83 0.00 -0.00 0.00 0.00 29.99 30.75 3g5u n HIS 1003CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3g5u h ILE 1004N 0.00 0.00 0.11 1.59 -0.00 -1.00 0.31 117.51 118.52 3g5u h ILE 1004Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 64.86 64.70 3g5u h ILE 1004Cb 0.00 0.68 0.02 0.00 -0.00 0.00 0.00 36.82 37.51 3g5u h ILE 1004CO 0.00 0.00 -0.71 0.40 -0.00 0.00 0.00 178.15 177.84 3g5u h ILE 1005N 0.00 1.53 -0.89 2.19 2.04 0.15 -1.11 117.51 121.41 3g5u h ILE 1005Ca 0.00 -2.49 0.06 0.00 1.00 0.00 0.00 64.86 63.43 3g5u h ILE 1005Cb 0.48 3.20 -0.06 0.00 -0.74 0.00 0.00 36.82 39.70 3g5u h ILE 1005CO 0.00 0.69 0.58 -0.09 0.00 0.00 0.00 178.15 179.34 3g5u h ARG 1006N -0.49 1.00 -0.08 2.37 2.43 0.13 -1.06 114.38 118.68 3g5u h ARG 1006Ca -0.13 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.84 3g5u h ARG 1006Cb 1.53 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3g5u h ARG 1006CO 0.12 0.66 -0.58 0.82 -1.51 0.00 0.00 179.97 179.47 3g5u h ILE 1007N 1.03 1.38 0.00 1.20 5.03 -1.27 -2.96 117.51 121.91 3g5u h ILE 1007Ca 0.38 -1.93 0.00 0.00 -0.12 0.00 0.00 64.86 63.19 3g5u h ILE 1007Cb 0.17 1.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.92 3g5u h ILE 1007CO -0.14 0.57 0.00 -0.29 -0.68 0.00 0.00 178.15 177.61 3g5u h ILE 1008N 0.19 0.00 -3.58 -0.67 2.10 -0.69 -3.37 117.51 111.50 3g5u h ILE 1008Ca -0.00 -0.80 -0.63 0.00 1.08 0.00 0.00 64.86 64.51 3g5u h ILE 1008Cb 1.08 1.79 -0.13 0.00 -1.09 0.00 0.00 36.82 38.47 3g5u h ILE 1008CO 0.09 0.00 0.26 -1.61 -1.08 0.00 0.00 178.15 175.81 3g5u s GLU 1009N -3.21 3.55 0.00 2.19 2.02 -0.45 -4.89 118.70 117.91 3g5u s GLU 1009Ca 0.08 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.06 3g5u s GLU 1009Cb 0.07 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.43 3g5u s GLU 1009CO 0.63 -0.92 0.00 1.63 0.02 0.00 0.00 175.26 176.62 3g5u n LYS 1010N 6.37 0.00 0.00 1.61 4.01 -1.26 -4.79 118.16 124.10 3g5u n LYS 1010Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 3g5u n LYS 1010Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 3g5u n LYS 1010CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3g5u n THR 1011N 0.00 0.00 0.00 -0.18 -2.24 -1.26 -5.04 114.28 105.56 3g5u n THR 1011Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3g5u n THR 1011Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3g5u n THR 1011CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3g5u n PRO 1012N 0.00 -0.13 0.00 -0.78 -0.04 -1.26 -5.10 135.00 127.69 3g5u n PRO 1012Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3g5u n PRO 1012Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3g5u n PRO 1012CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3g5u n GLU 1013N -1.06 0.30 -2.73 0.54 -0.58 -1.26 -4.99 120.64 110.85 3g5u n GLU 1013Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3g5u n GLU 1013Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3g5u n GLU 1013CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 3g5u n ILE 1014N -1.49 -1.60 0.00 -3.67 3.06 -1.26 -4.87 119.36 109.52 3g5u n ILE 1014Ca 0.00 0.38 0.00 0.00 -2.50 0.00 0.00 62.75 60.63 3g5u n ILE 1014Cb 0.00 -2.47 0.00 0.00 0.54 0.00 0.00 39.64 37.71 3g5u n ILE 1014CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 3g5u n ASP 1015N 1.40 0.00 -3.08 9.51 -0.08 -1.26 -5.01 116.55 118.03 3g5u n ASP 1015Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3g5u n ASP 1015Cb 0.38 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.84 3g5u n ASP 1015CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3g5u n SER 1016N 0.00 -7.15 0.00 1.67 2.88 -1.26 -4.99 113.62 104.76 3g5u n SER 1016Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 3g5u n SER 1016Cb 0.00 -1.74 0.00 0.00 -0.75 0.00 0.00 64.21 61.72 3g5u n SER 1016CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3g5u n TYR 1017N 2.26 0.00 -3.69 0.66 4.02 -1.26 -5.17 117.16 113.99 3g5u n TYR 1017Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3g5u n TYR 1017Cb 0.12 0.29 -0.01 0.00 -0.02 0.00 0.00 39.34 39.73 3g5u n TYR 1017CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3g5u s SER 1018N -2.53 -0.09 -0.79 7.72 0.15 -1.26 -5.09 113.70 111.81 3g5u s SER 1018Ca 0.00 -0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 3g5u s SER 1018Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3g5u s SER 1018CO 0.00 -0.52 0.70 0.41 1.20 0.00 0.00 173.24 175.03 3g5u n THR 1019N -0.51 -7.96 0.00 6.45 -1.04 -1.26 -1.35 114.28 108.61 3g5u n THR 1019Ca -0.07 -0.86 0.00 0.00 -2.04 0.00 0.00 64.05 61.08 3g5u n THR 1019Cb 0.62 -6.02 0.00 0.00 -1.82 0.00 0.00 70.33 63.11 3g5u n THR 1019CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g5u n GLN 1020N -2.56 0.00 -0.22 -2.82 0.00 -1.26 -1.70 117.38 108.83 3g5u n GLN 1020Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 56.90 3g5u n GLN 1020Cb 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 30.24 30.52 3g5u n GLN 1020CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g5u n GLY 1021N 2.28 -0.54 1.32 2.61 0.00 -1.26 -4.85 105.19 104.74 3g5u n GLY 1021Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3g5u n GLY 1021CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g5u n LEU 1022N 0.78 4.10 0.00 0.99 0.00 -1.26 -4.92 117.00 116.70 3g5u n LEU 1022Ca -0.00 -2.20 0.00 0.00 0.00 0.00 0.00 56.01 53.81 3g5u n LEU 1022Cb 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 43.42 43.05 3g5u n LEU 1022CO 0.07 0.88 0.00 1.17 0.00 0.00 0.00 177.39 179.51 3g5u n LYS 1023N 1.22 0.00 0.00 1.96 4.81 -1.26 -4.32 118.16 120.58 3g5u n LYS 1023Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 3g5u n LYS 1023Cb 0.70 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.75 3g5u n LYS 1023CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3g5u n PRO 1024N 0.00 0.00 -0.12 1.64 -0.02 -1.26 0.50 135.00 135.75 3g5u n PRO 1024Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 3g5u n PRO 1024Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 3g5u n PRO 1024CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3g5u n ASN 1025N -2.50 1.23 0.00 2.55 6.94 -1.26 -4.46 115.26 117.75 3g5u n ASN 1025Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 3g5u n ASN 1025Cb 0.00 0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3g5u n ASN 1025CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 3g5u n MET 1026N -3.07 0.00 0.00 -3.83 0.00 0.18 -3.54 117.12 106.86 3g5u n MET 1026Ca -0.41 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.52 3g5u n MET 1026Cb 1.06 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.69 3g5u n MET 1026CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 3g5u n LEU 1027N -1.17 0.00 0.00 3.17 -0.00 -1.23 -4.84 117.00 112.93 3g5u n LEU 1027Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 3g5u n LEU 1027Cb 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 3g5u n LEU 1027CO 0.00 -0.19 0.00 -0.62 -0.00 0.00 0.00 177.39 176.58 3g5u n GLU 1028N -1.29 0.00 -2.05 1.47 1.02 -1.23 -4.83 120.64 113.72 3g5u n GLU 1028Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 3g5u n GLU 1028Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3g5u n GLU 1028CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g5u n GLY 1029N 0.18 5.36 3.71 0.62 0.00 -1.26 -4.70 105.19 109.10 3g5u n GLY 1029Ca 0.00 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 3g5u n GLY 1029CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g5u s ASN 1030N -0.43 7.27 -0.04 1.61 0.01 -1.14 -4.74 114.94 117.47 3g5u s ASN 1030Ca 0.50 1.75 -0.13 0.00 -0.71 0.00 0.00 52.86 54.27 3g5u s ASN 1030Cb 0.28 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 3g5u s ASN 1030CO -0.20 -0.35 0.33 -0.69 -1.51 0.00 0.00 177.10 174.68 3g5u s VAL 1031N 1.19 5.17 -0.16 1.60 1.01 -0.44 -1.80 120.40 126.95 3g5u s VAL 1031Ca 0.54 0.67 0.01 0.00 0.00 0.00 0.00 61.98 63.19 3g5u s VAL 1031Cb -0.23 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3g5u s VAL 1031CO 0.27 0.58 -0.20 -1.10 0.00 0.00 0.00 175.10 174.65 3g5u s GLN 1032N -1.00 2.92 -0.25 2.72 -1.52 -0.29 -1.63 119.66 120.61 3g5u s GLN 1032Ca 0.21 -0.81 0.02 0.00 -1.95 0.00 0.00 55.36 52.83 3g5u s GLN 1032Cb -0.15 -2.47 0.06 0.00 -0.22 0.00 0.00 33.01 30.23 3g5u s GLN 1032CO 0.11 -0.15 -0.06 -0.06 -0.25 0.00 0.00 175.29 174.88 3g5u s PHE 1033N 1.15 2.73 -0.05 0.91 0.08 -0.54 -1.48 117.98 120.79 3g5u s PHE 1033Ca 0.01 -2.01 0.05 0.00 0.12 0.00 0.00 56.93 55.10 3g5u s PHE 1033Cb -0.14 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3g5u s PHE 1033CO -0.09 -0.82 -0.18 0.45 -0.10 0.00 0.00 175.22 174.47 3g5u s SER 1034N 1.28 2.32 0.00 1.36 0.15 -0.56 -1.08 113.70 117.17 3g5u s SER 1034Ca -0.05 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3g5u s SER 1034Cb -0.19 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 3g5u s SER 1034CO -0.06 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3g5u n GLY 1035N 3.13 1.05 0.14 9.45 0.00 -0.64 -0.38 105.19 117.93 3g5u n GLY 1035Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3g5u n GLY 1035CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g5u n VAL 1036N 0.00 0.00 -4.66 1.61 0.31 -0.70 -1.11 118.33 113.78 3g5u n VAL 1036Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3g5u n VAL 1036Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 3g5u n VAL 1036CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3g5u s VAL 1037N 0.00 1.23 -0.25 2.52 -7.23 -0.27 -0.35 120.40 116.04 3g5u s VAL 1037Ca 0.00 -0.55 -0.31 0.00 -1.81 0.00 0.00 61.98 59.31 3g5u s VAL 1037Cb 0.00 -1.10 0.17 0.00 0.56 0.00 0.00 36.38 36.02 3g5u s VAL 1037CO 0.00 0.37 1.28 0.12 -0.31 0.00 0.00 175.10 176.56 3g5u s PHE 1038N 0.46 -0.10 -0.12 2.82 5.36 0.31 0.97 117.98 127.68 3g5u s PHE 1038Ca -0.11 0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.96 3g5u s PHE 1038Cb -0.14 0.49 0.06 0.00 -0.34 0.00 0.00 43.02 43.09 3g5u s PHE 1038CO 0.03 -0.10 0.25 1.21 -1.46 0.00 0.00 175.22 175.15 3g5u s ASN 1039N -1.24 0.21 -0.25 6.13 3.84 -1.26 -1.61 114.94 120.76 3g5u s ASN 1039Ca 0.07 0.56 -0.36 0.00 0.21 0.00 0.00 52.86 53.34 3g5u s ASN 1039Cb -0.01 0.59 -0.12 0.00 -0.55 0.00 0.00 41.25 41.16 3g5u s ASN 1039CO -0.06 -0.22 2.00 0.00 -2.79 0.00 0.00 177.10 176.04 3g5u n TYR 1040N 5.04 1.95 0.00 0.43 4.11 -1.26 -4.39 117.16 123.04 3g5u n TYR 1040Ca -0.11 0.22 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 3g5u n TYR 1040Cb 0.51 -2.57 0.00 0.00 -0.00 0.00 0.00 39.34 37.28 3g5u n TYR 1040CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 3g5u n PRO 1041N 7.16 0.00 0.00 -3.48 -0.02 -1.26 -3.77 135.00 133.63 3g5u n PRO 1041Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3g5u n PRO 1041Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 3g5u n PRO 1041CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3g5u n THR 1042N 0.00 0.00 -0.18 3.45 5.66 -1.26 -4.88 114.28 117.07 3g5u n THR 1042Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 3g5u n THR 1042Cb 0.00 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.05 3g5u n THR 1042CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3g5u n ARG 1043N 0.00 -0.02 -0.43 1.09 0.63 -1.25 -1.01 116.66 115.68 3g5u n ARG 1043Ca 0.00 0.54 0.35 0.00 -0.92 0.00 0.00 57.85 57.82 3g5u n ARG 1043Cb 0.00 -1.04 0.63 0.00 0.45 0.00 0.00 32.46 32.50 3g5u n ARG 1043CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3g5u h PRO 1044N 0.00 0.13 -1.96 -0.14 0.13 -1.95 1.26 132.00 129.47 3g5u h PRO 1044Ca 0.37 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.44 3g5u h PRO 1044Cb 1.12 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3g5u h PRO 1044CO -0.23 0.09 0.01 -1.13 -0.23 0.00 0.00 178.00 176.50 3g5u n SER 1045N -4.64 5.45 0.00 1.44 3.41 -0.18 -4.93 113.62 114.16 3g5u n SER 1045Ca 0.35 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3g5u n SER 1045Cb 1.35 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3g5u n SER 1045CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3g5u n ILE 1046N 1.47 0.00 -3.64 -1.33 2.08 0.43 -4.76 119.36 113.61 3g5u n ILE 1046Ca 0.06 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.10 3g5u n ILE 1046Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.40 3g5u n ILE 1046CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3g5u s PRO 1047N -0.36 3.53 0.00 0.38 0.02 -1.26 -4.76 135.00 132.56 3g5u s PRO 1047Ca 0.00 -0.31 0.26 0.00 0.02 0.00 0.00 61.00 60.97 3g5u s PRO 1047Cb 0.00 -2.81 0.65 0.00 0.02 0.00 0.00 34.50 32.37 3g5u s PRO 1047CO 0.00 0.36 1.52 1.33 -0.33 0.00 0.00 177.00 179.88 3g5u n VAL 1048N -0.77 0.01 -3.83 3.83 0.24 -0.63 -4.64 118.33 112.53 3g5u n VAL 1048Ca -0.04 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.34 61.59 3g5u n VAL 1048Cb 0.54 0.95 -0.15 0.00 -1.47 0.00 0.00 33.84 33.71 3g5u n VAL 1048CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g5u s LEU 1049N -1.99 2.94 -0.65 1.34 2.01 -0.81 -0.51 118.68 121.02 3g5u s LEU 1049Ca 0.33 -1.70 0.05 0.00 0.01 0.00 0.00 54.13 52.82 3g5u s LEU 1049Cb 0.21 -1.10 0.16 0.00 0.01 0.00 0.00 46.19 45.46 3g5u s LEU 1049CO 0.32 -0.38 0.43 0.00 1.01 0.00 0.00 176.35 177.73 3g5u s GLN 1050N 1.40 2.27 0.00 1.70 -2.07 -0.75 0.11 119.66 122.33 3g5u s GLN 1050Ca 0.08 -3.12 0.00 0.00 -1.82 0.00 0.00 55.36 50.50 3g5u s GLN 1050Cb -0.18 -3.29 0.00 0.00 -1.09 0.00 0.00 33.01 28.45 3g5u s GLN 1050CO -0.18 -1.25 0.00 0.41 -1.32 0.00 0.00 175.29 172.95 3g5u n GLY 1051N 2.27 0.50 3.89 2.60 0.00 -1.09 -4.63 105.19 108.73 3g5u n GLY 1051Ca 0.17 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3g5u n GLY 1051CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g5u s LEU 1052N -1.69 4.32 -0.30 0.99 2.96 0.52 -4.79 118.68 120.70 3g5u s LEU 1052Ca 0.00 0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 54.40 3g5u s LEU 1052Cb 0.00 -3.02 0.14 0.00 0.50 0.00 0.00 46.19 43.81 3g5u s LEU 1052CO 0.00 0.15 0.64 -0.44 -1.32 0.00 0.00 176.35 175.38 3g5u s SER 1053N -2.11 -1.18 0.00 3.68 0.01 -1.26 -1.62 113.70 111.22 3g5u s SER 1053Ca 0.35 1.46 0.00 0.00 1.31 0.00 0.00 55.95 59.07 3g5u s SER 1053Cb -0.13 2.28 0.00 0.00 0.21 0.00 0.00 66.02 68.38 3g5u s SER 1053CO 0.21 -0.23 0.00 0.18 0.41 0.00 0.00 173.24 173.82 3g5u n LEU 1054N 5.44 0.00 -3.62 2.44 7.99 -0.24 -4.97 117.00 124.05 3g5u n LEU 1054Ca -0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.88 3g5u n LEU 1054Cb 0.49 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.79 3g5u n LEU 1054CO -0.03 0.00 1.00 -0.70 -1.51 0.00 0.00 177.39 176.15 3g5u s GLU 1055N -1.61 0.44 -0.10 3.23 -6.30 -1.26 -1.46 118.70 111.64 3g5u s GLU 1055Ca 0.00 -0.22 -0.05 0.00 -2.50 0.00 0.00 54.97 52.21 3g5u s GLU 1055Cb 0.00 0.17 0.05 0.00 0.00 0.00 0.00 34.13 34.35 3g5u s GLU 1055CO 0.00 -0.20 0.23 0.54 0.02 0.00 0.00 175.26 175.85 3g5u s VAL 1056N -2.52 -0.11 0.00 3.70 0.11 -0.64 -4.97 120.40 115.96 3g5u s VAL 1056Ca 0.12 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3g5u s VAL 1056Cb 0.02 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3g5u s VAL 1056CO -0.04 0.08 0.00 0.29 -3.33 0.00 0.00 175.10 172.10 3g5u n LYS 1057N 4.47 1.43 -4.02 1.54 4.01 -1.26 -1.33 118.16 123.00 3g5u n LYS 1057Ca -0.21 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.36 3g5u n LYS 1057Cb 0.52 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.99 3g5u n LYS 1057CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 3g5u s LYS 1058N 0.00 2.48 0.00 1.97 -2.85 -1.26 -4.06 119.74 116.02 3g5u s LYS 1058Ca 0.00 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.50 3g5u s LYS 1058Cb 0.00 -2.27 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 3g5u s LYS 1058CO 0.00 0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.97 3g5u n GLY 1059N -1.21 -0.40 0.00 0.59 0.00 -1.26 -4.72 105.19 98.19 3g5u n GLY 1059Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3g5u n GLY 1059CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLN 1060N -2.12 1.77 -3.42 1.61 -0.00 -1.24 -4.25 117.38 109.73 3g5u n GLN 1060Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.83 3g5u n GLN 1060Cb 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 30.24 30.54 3g5u n GLN 1060CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3g5u s THR 1061N 3.22 -0.40 -0.40 -0.39 2.01 -1.26 -2.05 115.64 116.37 3g5u s THR 1061Ca 0.00 -0.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 3g5u s THR 1061Cb 0.00 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.65 3g5u s THR 1061CO 0.00 -0.35 1.00 -0.22 -0.69 0.00 0.00 174.62 174.36 3g5u s LEU 1062N 2.37 3.90 0.00 4.42 1.98 -0.42 -1.95 118.68 128.98 3g5u s LEU 1062Ca 0.09 0.58 -0.23 0.00 -2.89 0.00 0.00 54.13 51.68 3g5u s LEU 1062Cb -0.15 -3.37 -0.05 0.00 0.66 0.00 0.00 46.19 43.29 3g5u s LEU 1062CO -0.25 -0.98 0.68 0.00 -1.89 0.00 0.00 176.35 173.91 3g5u s ALA 1063N 3.77 3.41 -0.13 5.97 0.00 0.01 -1.77 121.76 133.03 3g5u s ALA 1063Ca 0.41 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.53 3g5u s ALA 1063Cb -0.11 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3g5u s ALA 1063CO 0.22 0.08 -0.17 -1.17 0.00 0.00 0.00 175.76 174.71 3g5u s LEU 1064N 0.06 1.84 -0.23 0.00 1.98 -0.72 -1.95 118.68 119.66 3g5u s LEU 1064Ca 0.35 -0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 51.08 3g5u s LEU 1064Cb -0.19 -1.22 0.07 0.00 0.66 0.00 0.00 46.19 45.51 3g5u s LEU 1064CO 0.19 0.03 0.04 0.54 -1.89 0.00 0.00 176.35 175.26 3g5u s VAL 1065N 1.01 0.72 0.00 1.68 0.11 -0.77 -1.99 120.40 121.16 3g5u s VAL 1065Ca -0.05 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 3g5u s VAL 1065Cb -0.15 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 3g5u s VAL 1065CO -0.03 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 3g5u n GLY 1066N 4.96 5.78 0.00 6.54 0.00 -1.26 -1.65 105.19 119.56 3g5u n GLY 1066Ca -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3g5u n GLY 1066CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g5u n SER 1067N 0.00 0.00 -3.64 1.61 3.41 -1.23 -4.90 113.62 108.88 3g5u n SER 1067Ca 0.00 0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 59.13 3g5u n SER 1067Cb 0.00 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 3g5u n SER 1067CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3g5u s SER 1068N -2.70 -0.06 1.35 4.04 0.15 -1.26 -5.12 113.70 110.10 3g5u s SER 1068Ca 0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 3g5u s SER 1068Cb 0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3g5u s SER 1068CO 0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3g5u n GLY 1069N 0.36 2.79 3.16 9.45 0.00 -1.26 -4.74 105.19 114.94 3g5u n GLY 1069Ca 0.01 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3g5u n GLY 1069CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n GLY 1071N 2.68 2.00 0.12 0.00 0.00 -1.26 -4.55 105.19 104.17 3g5u n GLY 1071Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 3g5u n GLY 1071CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g5u h LYS 1072N 0.00 0.29 0.92 1.61 1.57 -1.92 -0.60 116.57 118.45 3g5u h LYS 1072Ca 0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3g5u h LYS 1072Cb 0.00 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3g5u h LYS 1072CO 0.00 0.27 -0.44 0.66 -0.57 0.00 0.00 179.45 179.37 3g5u h SER 1073N 0.24 -1.05 -0.92 0.86 4.64 -1.80 -2.35 113.55 113.17 3g5u h SER 1073Ca 0.07 0.04 0.24 0.00 -0.47 0.00 0.00 61.79 61.67 3g5u h SER 1073Cb 0.06 0.27 -0.13 0.00 -0.31 0.00 0.00 62.40 62.29 3g5u h SER 1073CO -0.01 -0.75 0.41 0.71 -0.87 0.00 0.00 176.83 176.32 3g5u h THR 1074N -1.25 0.43 0.03 2.95 1.35 -1.88 -0.21 112.91 114.33 3g5u h THR 1074Ca -0.13 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3g5u h THR 1074Cb 0.95 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3g5u h THR 1074CO 0.21 0.07 -0.03 0.58 -0.25 0.00 0.00 175.52 176.09 3g5u h VAL 1075N 0.38 0.00 -0.46 6.82 2.07 -0.97 0.68 116.25 124.76 3g5u h VAL 1075Ca 0.59 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.15 3g5u h VAL 1075Cb 1.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3g5u h VAL 1075CO -0.55 0.00 -0.27 0.52 0.02 0.00 0.00 177.57 177.28 3g5u n VAL 1076N -2.51 -0.31 -0.25 2.57 0.31 -0.26 -0.35 118.33 117.53 3g5u n VAL 1076Ca -0.01 1.70 -0.06 0.00 -0.01 0.00 0.00 64.34 65.96 3g5u n VAL 1076Cb 0.03 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 30.74 3g5u n VAL 1076CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5u n GLN 1077N -4.05 -0.26 -0.34 5.55 6.02 -0.25 -0.45 117.38 123.59 3g5u n GLN 1077Ca 0.01 1.26 0.09 0.00 -0.01 0.00 0.00 57.00 58.35 3g5u n GLN 1077Cb 0.12 -1.86 0.19 0.00 1.02 0.00 0.00 30.24 29.71 3g5u n GLN 1077CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3g5u h LEU 1078N 0.00 -0.74 -0.56 1.08 3.38 0.18 2.57 115.31 121.22 3g5u h LEU 1078Ca 0.09 0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.38 3g5u h LEU 1078Cb 0.24 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3g5u h LEU 1078CO -0.55 -0.33 0.33 0.25 0.09 0.00 0.00 178.44 178.23 3g5u h LEU 1079N 0.01 0.53 0.00 1.67 5.85 -0.05 1.27 115.31 124.58 3g5u h LEU 1079Ca 0.51 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3g5u h LEU 1079Cb 0.90 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3g5u h LEU 1079CO -0.96 0.37 0.00 -0.62 -0.34 0.00 0.00 178.44 176.88 3g5u n GLU 1080N -4.78 0.37 -4.05 1.25 -0.58 0.81 -4.82 120.64 108.84 3g5u n GLU 1080Ca 0.05 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.42 3g5u n GLU 1080Cb 0.10 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 3g5u n GLU 1080CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3g5u n ARG 1081N -0.87 -0.49 -0.07 3.49 0.63 0.44 -4.84 116.66 114.94 3g5u n ARG 1081Ca 0.06 -0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.80 3g5u n ARG 1081Cb 0.03 -2.24 -0.12 0.00 0.45 0.00 0.00 32.46 30.57 3g5u n ARG 1081CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3g5u h PHE 1082N -1.70 0.07 -4.40 -0.14 0.04 -1.71 -3.45 116.94 105.66 3g5u h PHE 1082Ca -0.60 -0.05 -0.70 0.00 2.80 0.00 0.00 57.97 59.42 3g5u h PHE 1082Cb 1.20 -0.00 -0.30 0.00 2.20 0.00 0.00 35.95 39.05 3g5u h PHE 1082CO 0.35 1.30 -0.88 0.71 -0.60 0.00 0.00 178.31 179.20 3g5u s TYR 1083N -2.32 2.40 -0.15 -0.55 1.51 -1.26 -4.88 117.35 112.09 3g5u s TYR 1083Ca -0.23 -0.49 -0.17 0.00 -1.01 0.00 0.00 57.07 55.17 3g5u s TYR 1083Cb 0.02 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 3g5u s TYR 1083CO 0.66 -0.06 0.42 -0.51 -1.11 0.00 0.00 175.55 174.95 3g5u s ASP 1084N -0.50 6.56 0.17 2.29 1.01 -1.26 -4.54 116.67 120.40 3g5u s ASP 1084Ca 0.07 0.66 -0.31 0.00 0.71 0.00 0.00 52.55 53.68 3g5u s ASP 1084Cb -0.11 -2.25 -0.17 0.00 1.01 0.00 0.00 42.92 41.40 3g5u s ASP 1084CO 0.00 -0.01 0.75 -0.81 0.21 0.00 0.00 175.17 175.31 3g5u n PRO 1085N 3.93 0.29 0.22 8.23 -0.04 -1.26 -4.83 135.00 141.54 3g5u n PRO 1085Ca -0.08 0.10 0.15 0.00 -0.04 0.00 0.00 63.50 63.63 3g5u n PRO 1085Cb 0.51 -1.29 0.61 0.00 -0.04 0.00 0.00 33.50 33.29 3g5u n PRO 1085CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3g5u h MET 1086N 1.75 0.00 -1.66 0.54 2.86 0.23 -3.44 114.93 115.20 3g5u h MET 1086Ca -0.35 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.33 3g5u h MET 1086Cb 1.42 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.82 3g5u h MET 1086CO 0.60 0.00 0.40 0.00 1.06 0.00 0.00 176.91 178.98 3g5u s ALA 1087N -3.52 -1.94 0.00 6.32 0.00 -0.72 -4.96 121.76 116.94 3g5u s ALA 1087Ca 0.02 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.87 3g5u s ALA 1087Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3g5u s ALA 1087CO 0.49 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3g5u n GLY 1088N 2.23 -1.38 0.90 0.00 0.00 -1.26 -1.11 105.19 104.57 3g5u n GLY 1088Ca -0.13 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 3g5u n GLY 1088CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3g5u n SER 1089N 0.00 -0.53 -3.83 1.61 2.88 0.48 -4.80 113.62 109.43 3g5u n SER 1089Ca 0.00 -1.40 -0.10 0.00 -1.33 0.00 0.00 58.87 56.05 3g5u n SER 1089Cb 0.00 0.90 -0.05 0.00 -0.75 0.00 0.00 64.21 64.30 3g5u n SER 1089CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3g5u s VAL 1090N -2.75 0.05 -0.26 2.46 0.11 -1.04 -1.50 120.40 117.47 3g5u s VAL 1090Ca 0.04 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 3g5u s VAL 1090Cb -0.01 -1.64 0.14 0.00 -1.53 0.00 0.00 36.38 33.34 3g5u s VAL 1090CO 0.03 -0.24 0.34 -0.36 -3.33 0.00 0.00 175.10 171.54 3g5u s PHE 1091N -3.91 -0.68 -1.73 1.54 0.08 -0.55 0.21 117.98 112.94 3g5u s PHE 1091Ca 0.12 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.52 3g5u s PHE 1091Cb 0.01 -0.23 0.27 0.00 -0.57 0.00 0.00 43.02 42.51 3g5u s PHE 1091CO -0.03 -0.84 0.87 1.47 -0.10 0.00 0.00 175.22 176.60 3g5u n LEU 1092N 5.34 0.00 0.15 -0.37 -0.00 -1.26 -1.14 117.00 119.73 3g5u n LEU 1092Ca -0.02 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 3g5u n LEU 1092Cb 0.49 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 3g5u n LEU 1092CO 0.03 -0.11 0.00 -0.67 -0.00 0.00 0.00 177.39 176.63 3g5u n ASP 1093N -1.14 -2.77 0.21 1.45 2.03 -0.75 -2.89 116.55 112.70 3g5u n ASP 1093Ca 0.03 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.04 3g5u n ASP 1093Cb 0.03 2.73 0.00 0.00 -0.72 0.00 0.00 41.12 43.15 3g5u n ASP 1093CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g5u n GLY 1094N -1.37 -1.66 3.58 0.27 0.00 -1.26 -4.82 105.19 99.92 3g5u n GLY 1094Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 3g5u n GLY 1094CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5u s LYS 1095N -2.00 -0.39 -0.40 1.61 3.01 -1.26 -4.74 119.74 115.56 3g5u s LYS 1095Ca 0.00 0.61 -0.28 0.00 -1.01 0.00 0.00 55.97 55.29 3g5u s LYS 1095Cb 0.00 -1.63 -0.01 0.00 -1.01 0.00 0.00 37.83 35.18 3g5u s LYS 1095CO 0.00 -3.31 1.69 -1.21 0.51 0.00 0.00 175.35 173.03 3g5u s GLU 1096N -4.73 3.29 -0.51 1.68 2.02 -1.26 -4.29 118.70 114.90 3g5u s GLU 1096Ca 0.67 1.14 -0.29 0.00 0.02 0.00 0.00 54.97 56.52 3g5u s GLU 1096Cb -0.22 -4.18 0.02 0.00 0.10 0.00 0.00 34.13 29.86 3g5u s GLU 1096CO 0.61 -1.92 1.27 0.42 0.02 0.00 0.00 175.26 175.66 3g5u s ILE 1097N 6.81 4.01 0.00 -1.63 -1.09 0.55 0.35 121.20 130.19 3g5u s ILE 1097Ca 0.72 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 3g5u s ILE 1097Cb -0.18 -4.52 0.00 0.00 -1.58 0.00 0.00 42.46 36.18 3g5u s ILE 1097CO 0.31 -1.07 0.00 1.17 -1.23 0.00 0.00 174.94 174.12 3g5u n LYS 1098N 8.21 0.00 0.00 2.79 4.81 -1.26 -2.49 118.16 130.22 3g5u n LYS 1098Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3g5u n LYS 1098Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 3g5u n LYS 1098CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3g5u n GLN 1099N 0.00 0.26 -3.35 1.64 7.27 1.06 -5.08 117.38 119.19 3g5u n GLN 1099Ca 0.00 -0.51 -0.31 0.00 0.07 0.00 0.00 57.00 56.25 3g5u n GLN 1099Cb 0.00 -0.56 -0.05 0.00 2.41 0.00 0.00 30.24 32.04 3g5u n GLN 1099CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3g5u s LEU 1100N -0.10 4.11 -0.46 1.69 2.96 -0.37 -4.44 118.68 122.08 3g5u s LEU 1100Ca 0.00 0.90 -0.27 0.00 -0.22 0.00 0.00 54.13 54.54 3g5u s LEU 1100Cb 0.00 -3.68 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3g5u s LEU 1100CO 0.00 -0.13 2.14 0.21 -1.32 0.00 0.00 176.35 177.25 3g5u s ASN 1101N -2.61 5.03 0.07 3.68 3.84 -0.46 -4.83 114.94 119.66 3g5u s ASN 1101Ca 0.47 1.02 -0.14 0.00 0.21 0.00 0.00 52.86 54.43 3g5u s ASN 1101Cb -0.11 -2.51 -0.03 0.00 -0.55 0.00 0.00 41.25 38.05 3g5u s ASN 1101CO 0.24 -2.43 0.82 0.55 -2.79 0.00 0.00 177.10 173.48 3g5u n VAL 1102N 7.66 -0.30 -0.34 -5.21 3.14 -1.26 -0.01 118.33 122.00 3g5u n VAL 1102Ca 0.29 1.27 0.22 0.00 -2.96 0.00 0.00 64.34 63.17 3g5u n VAL 1102Cb 0.51 -1.59 0.46 0.00 -1.06 0.00 0.00 33.84 32.16 3g5u n VAL 1102CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3g5u h GLN 1103N 0.00 0.40 0.02 1.45 5.75 -1.95 0.93 115.11 121.72 3g5u h GLN 1103Ca 0.07 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3g5u h GLN 1103Cb 0.18 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3g5u h GLN 1103CO -0.41 0.26 -0.01 2.35 -2.65 0.00 0.00 178.83 178.37 3g5u h TRP 1104N 0.41 -0.03 -0.95 3.99 7.01 -0.82 -1.47 115.95 124.09 3g5u h TRP 1104Ca 0.69 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.83 3g5u h TRP 1104Cb 1.55 0.01 -0.15 0.00 -2.10 0.00 0.00 29.16 28.47 3g5u h TRP 1104CO -0.01 0.67 -0.37 -0.11 -2.79 0.00 0.00 178.44 175.84 3g5u n LEU 1105N -4.71 -0.61 0.00 0.65 7.94 0.71 0.54 117.00 121.52 3g5u n LEU 1105Ca -0.08 1.66 0.13 0.00 -1.11 0.00 0.00 56.01 56.61 3g5u n LEU 1105Cb 0.35 -0.38 0.76 0.00 0.53 0.00 0.00 43.42 44.68 3g5u n LEU 1105CO 0.27 -1.49 0.95 0.54 -1.11 0.00 0.00 177.39 176.56 3g5u n ARG 1106N -5.40 0.76 -0.23 1.96 1.74 0.29 -1.95 116.66 113.83 3g5u n ARG 1106Ca 0.10 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.11 3g5u n ARG 1106Cb 0.38 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 3g5u n ARG 1106CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5u h ALA 1107N 3.59 0.86 -2.70 7.54 0.00 1.46 -3.37 119.26 126.63 3g5u h ALA 1107Ca 0.00 -0.22 -0.71 0.00 0.00 0.00 0.00 54.91 53.98 3g5u h ALA 1107Cb 0.03 -0.25 -0.23 0.00 0.00 0.00 0.00 17.79 17.35 3g5u h ALA 1107CO 0.00 0.55 -0.49 -0.65 0.00 0.00 0.00 179.25 178.66 3g5u s GLN 1108N -5.36 2.99 -0.34 0.00 1.11 -0.82 -4.87 119.66 112.36 3g5u s GLN 1108Ca -0.12 -0.98 -0.07 0.00 0.01 0.00 0.00 55.36 54.19 3g5u s GLN 1108Cb 0.14 -3.81 0.19 0.00 -1.01 0.00 0.00 33.01 28.52 3g5u s GLN 1108CO 0.83 -0.66 1.02 -0.48 0.01 0.00 0.00 175.29 176.00 3g5u s LEU 1109N 1.62 -0.44 -1.33 2.90 2.34 -1.26 -4.86 118.68 117.66 3g5u s LEU 1109Ca 0.04 -0.28 -0.16 0.00 0.06 0.00 0.00 54.13 53.78 3g5u s LEU 1109Cb -0.19 0.56 0.02 0.00 -0.56 0.00 0.00 46.19 46.03 3g5u s LEU 1109CO 0.08 -0.04 2.04 0.61 -1.06 0.00 0.00 176.35 177.98 3g5u n GLY 1110N 3.51 3.53 3.80 -3.48 0.00 -0.35 -4.86 105.19 107.34 3g5u n GLY 1110Ca 0.07 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3g5u n GLY 1110CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g5u s ILE 1111N 4.07 4.99 -0.29 -0.61 1.10 -1.26 0.74 121.20 129.95 3g5u s ILE 1111Ca 0.51 0.96 -0.12 0.00 -0.51 0.00 0.00 60.65 61.48 3g5u s ILE 1111Cb 0.10 -3.78 0.11 0.00 0.15 0.00 0.00 42.46 39.04 3g5u s ILE 1111CO -0.01 0.52 0.66 -0.69 -2.11 0.00 0.00 174.94 173.31 3g5u s VAL 1112N -0.69 -0.55 0.46 4.00 1.01 -0.67 -4.84 120.40 119.11 3g5u s VAL 1112Ca 0.25 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3g5u s VAL 1112Cb -0.17 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3g5u s VAL 1112CO 0.14 0.00 0.07 -0.55 0.00 0.00 0.00 175.10 174.77 3g5u s SER 1113N 2.33 3.40 0.00 3.32 0.15 -1.26 -1.73 113.70 119.92 3g5u s SER 1113Ca -0.08 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.90 3g5u s SER 1113Cb -0.09 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3g5u s SER 1113CO -0.19 -0.90 0.09 0.00 1.20 0.00 0.00 173.24 173.44 3g5u n GLN 1114N -1.07 0.00 -2.65 5.44 1.13 -1.09 -3.43 117.38 115.71 3g5u n GLN 1114Ca -0.12 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.61 3g5u n GLN 1114Cb 0.66 -0.31 -0.03 0.00 0.11 0.00 0.00 30.24 30.66 3g5u n GLN 1114CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3g5u s GLU 1115N -0.40 3.37 0.00 -1.09 2.56 -1.26 -4.88 118.70 116.99 3g5u s GLU 1115Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.97 54.92 3g5u s GLU 1115Cb 0.00 -4.08 0.00 0.00 2.00 0.00 0.00 34.13 32.05 3g5u s GLU 1115CO 0.00 -1.77 0.00 -0.35 -0.56 0.00 0.00 175.26 172.58 3g5u n PRO 1116N 8.43 3.53 0.00 4.30 -0.04 -1.22 -5.09 135.00 144.90 3g5u n PRO 1116Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3g5u n PRO 1116Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 3g5u n PRO 1116CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3g5u n ILE 1117N 0.00 0.00 -3.65 0.52 0.13 -1.26 -5.05 119.36 110.05 3g5u n ILE 1117Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 3g5u n ILE 1117Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 38.72 3g5u n ILE 1117CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3g5u s LEU 1118N 0.00 -0.66 0.31 9.51 1.02 -1.26 -4.96 118.68 122.65 3g5u s LEU 1118Ca 0.00 1.37 -0.23 0.00 0.02 0.00 0.00 54.13 55.29 3g5u s LEU 1118Cb 0.00 2.24 -0.10 0.00 0.02 0.00 0.00 46.19 48.36 3g5u s LEU 1118CO 0.00 -0.23 0.88 0.12 0.02 0.00 0.00 176.35 177.14 3g5u s PHE 1119N 0.93 3.62 0.00 0.29 5.36 -1.26 -4.71 117.98 122.21 3g5u s PHE 1119Ca -0.05 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 3g5u s PHE 1119Cb -0.05 -2.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 3g5u s PHE 1119CO -0.08 0.19 0.24 -0.40 -1.46 0.00 0.00 175.22 173.71 3g5u n ASP 1120N 0.39 0.00 -4.98 6.13 5.68 -1.26 -4.83 116.55 117.69 3g5u n ASP 1120Ca 0.02 -0.74 -0.21 0.00 -0.50 0.00 0.00 54.79 53.36 3g5u n ASP 1120Cb 0.51 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.51 3g5u n ASP 1120CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g5u s SER 1122N -4.36 3.83 0.50 0.00 1.04 -1.26 -1.82 113.70 111.62 3g5u s SER 1122Ca 0.54 2.30 0.16 0.00 0.48 0.00 0.00 55.95 59.43 3g5u s SER 1122Cb -0.10 -2.58 1.21 0.00 0.10 0.00 0.00 66.02 64.64 3g5u s SER 1122CO 0.37 -2.51 2.09 0.16 0.98 0.00 0.00 173.24 174.33 3g5u h ILE 1123N -0.78 0.95 -0.97 -1.02 -0.00 -1.38 0.28 117.51 114.58 3g5u h ILE 1123Ca -0.46 -0.04 0.13 0.00 -0.00 0.00 0.00 64.86 64.48 3g5u h ILE 1123Cb 1.29 0.81 -0.09 0.00 -0.00 0.00 0.00 36.82 38.83 3g5u h ILE 1123CO 0.47 0.02 0.60 0.00 -0.00 0.00 0.00 178.15 179.24 3g5u h ALA 1124N 1.88 1.48 0.03 0.16 0.00 -1.65 1.31 119.26 122.47 3g5u h ALA 1124Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3g5u h ALA 1124Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g5u h ALA 1124CO -0.01 0.15 -0.01 0.93 0.00 0.00 0.00 179.25 180.30 3g5u h GLU 1125N 0.91 -0.04 -0.12 0.00 4.39 -1.46 -1.65 114.58 116.62 3g5u h GLU 1125Ca 0.50 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.21 3g5u h GLU 1125Cb 0.54 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3g5u h GLU 1125CO -0.29 0.64 -0.19 -0.91 -1.16 0.00 0.00 179.01 177.11 3g5u h ASN 1126N -0.78 -0.61 -0.75 1.42 -0.26 -0.00 0.74 115.58 115.33 3g5u h ASN 1126Ca -0.00 0.08 0.14 0.00 -0.56 0.00 0.00 56.30 55.95 3g5u h ASN 1126Cb 0.69 0.25 -0.13 0.00 -1.06 0.00 0.00 38.32 38.07 3g5u h ASN 1126CO 0.01 -0.14 -0.23 -0.38 -1.06 0.00 0.00 177.43 175.63 3g5u n ILE 1127N -3.58 -0.35 0.52 2.81 5.41 0.44 0.47 119.36 125.08 3g5u n ILE 1127Ca -0.01 1.73 0.00 0.00 1.00 0.00 0.00 62.75 65.46 3g5u n ILE 1127Cb 0.12 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 36.70 3g5u n ILE 1127CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g5u n ALA 1128N -3.67 1.75 -0.49 -1.39 0.00 0.24 -4.05 120.51 112.90 3g5u n ALA 1128Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 3g5u n ALA 1128Cb 0.34 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 3g5u n ALA 1128CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g5u n TYR 1129N 0.21 0.23 -0.02 0.00 4.01 1.70 -4.42 117.16 118.87 3g5u n TYR 1129Ca 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 3g5u n TYR 1129Cb 0.11 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 3g5u n TYR 1129CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g5u n GLY 1130N 2.26 0.63 0.53 2.72 0.00 -1.26 -4.54 105.19 105.53 3g5u n GLY 1130Ca 0.21 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.65 3g5u n GLY 1130CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g5u n ASP 1131N 2.56 0.09 0.00 1.61 5.68 -1.26 -4.75 116.55 120.47 3g5u n ASP 1131Ca 0.00 1.05 0.00 0.00 -0.50 0.00 0.00 54.79 55.34 3g5u n ASP 1131Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 3g5u n ASP 1131CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3g5u n ASN 1132N -4.07 0.00 -0.45 -1.12 0.23 -1.26 -4.60 115.26 103.98 3g5u n ASN 1132Ca 0.38 0.00 0.41 0.00 -0.53 0.00 0.00 54.58 54.84 3g5u n ASN 1132Cb 1.60 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 40.01 3g5u n ASN 1132CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3g5u h SER 1133N 0.00 0.00 0.00 0.53 4.64 -2.00 -3.40 113.55 113.32 3g5u h SER 1133Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3g5u h SER 1133Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3g5u h SER 1133CO 0.00 0.00 1.05 0.54 -0.87 0.00 0.00 176.83 177.55 3g5u n ARG 1134N -3.80 0.00 -1.67 4.77 5.12 -1.26 -4.84 116.66 114.98 3g5u n ARG 1134Ca 0.33 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.94 3g5u n ARG 1134Cb 1.65 -1.15 0.04 0.00 -1.16 0.00 0.00 32.46 31.84 3g5u n ARG 1134CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g5u s VAL 1135N 4.87 4.11 -0.49 1.55 0.11 -1.26 -4.75 120.40 124.54 3g5u s VAL 1135Ca 0.93 0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 60.65 3g5u s VAL 1135Cb -1.13 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 30.21 3g5u s VAL 1135CO 0.49 -0.86 1.61 0.52 -3.33 0.00 0.00 175.10 173.52 3g5u n VAL 1136N -2.95 1.28 -1.54 2.04 0.31 -1.26 -4.85 118.33 111.37 3g5u n VAL 1136Ca 0.07 -0.79 -0.36 0.00 -0.01 0.00 0.00 64.34 63.25 3g5u n VAL 1136Cb 0.54 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 3g5u n VAL 1136CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3g5u n SER 1137N 4.88 1.87 0.00 4.52 2.88 -1.26 -4.87 113.62 121.63 3g5u n SER 1137Ca 0.26 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3g5u n SER 1137Cb 0.10 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 3g5u n SER 1137CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g5u n TYR 1138N 14.91 0.00 -0.35 0.66 4.19 -1.26 0.76 117.16 136.07 3g5u n TYR 1138Ca 0.43 0.00 0.36 0.00 3.31 0.00 0.00 57.90 62.00 3g5u n TYR 1138Cb 0.44 0.00 0.61 0.00 0.49 0.00 0.00 39.34 40.88 3g5u n TYR 1138CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 3g5u h GLU 1139N 0.00 0.00 0.47 2.98 9.09 -1.97 1.52 114.58 126.67 3g5u h GLU 1139Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3g5u h GLU 1139Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3g5u h GLU 1139CO 0.00 0.00 -0.22 1.49 0.05 0.00 0.00 179.01 180.33 3g5u h GLU 1140N 0.00 -0.61 -0.46 1.06 4.22 -1.13 0.68 114.58 118.35 3g5u h GLU 1140Ca 0.61 0.04 0.13 0.00 0.08 0.00 0.00 59.36 60.23 3g5u h GLU 1140Cb 3.00 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 32.36 3g5u h GLU 1140CO -0.01 -0.40 0.68 -0.84 -2.18 0.00 0.00 179.01 176.26 3g5u h ILE 1141N -0.85 0.17 0.15 2.32 3.07 0.82 1.90 117.51 125.09 3g5u h ILE 1141Ca -0.06 0.00 -0.26 0.00 1.55 0.00 0.00 64.86 66.08 3g5u h ILE 1141Cb 0.48 0.42 0.03 0.00 -0.27 0.00 0.00 36.82 37.48 3g5u h ILE 1141CO 0.11 0.00 -1.12 0.58 -1.05 0.00 0.00 178.15 176.66 3g5u h VAL 1142N 0.00 1.37 -0.69 0.16 2.07 -0.14 -1.64 116.25 117.38 3g5u h VAL 1142Ca 0.22 -2.51 0.10 0.00 0.82 0.00 0.00 66.70 65.32 3g5u h VAL 1142Cb 1.57 2.94 -0.07 0.00 -1.52 0.00 0.00 31.29 34.21 3g5u h VAL 1142CO -0.00 0.74 0.33 -0.09 0.02 0.00 0.00 177.57 178.57 3g5u h ARG 1143N 0.01 0.54 0.00 1.57 9.65 0.91 0.31 114.38 127.37 3g5u h ARG 1143Ca -0.18 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 3g5u h ARG 1143Cb 1.85 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.31 3g5u h ARG 1143CO 0.21 0.36 0.00 0.00 2.80 0.00 0.00 179.97 183.34 3g5u n ALA 1144N -2.42 -0.41 -0.52 2.80 0.00 -0.45 -1.68 120.51 117.83 3g5u n ALA 1144Ca 0.11 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.96 3g5u n ALA 1144Cb 0.28 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.41 3g5u n ALA 1144CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 1145N -1.75 1.45 -1.00 0.00 0.00 -0.62 0.15 120.51 118.73 3g5u n ALA 1145Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.16 3g5u n ALA 1145Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3g5u n ALA 1145CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g5u n LYS 1146N -4.24 0.00 0.15 0.00 4.76 0.11 -1.13 118.16 117.80 3g5u n LYS 1146Ca 0.39 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.92 3g5u n LYS 1146Cb 1.60 -0.73 0.51 0.00 -1.84 0.00 0.00 35.03 34.57 3g5u n LYS 1146CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3g5u n GLU 1147N -0.30 0.12 0.04 1.97 4.07 -0.67 0.37 120.64 126.24 3g5u n GLU 1147Ca 0.00 0.62 -0.08 0.00 -0.06 0.00 0.00 57.16 57.64 3g5u n GLU 1147Cb 0.00 -1.92 0.07 0.00 -0.06 0.00 0.00 31.44 29.53 3g5u n GLU 1147CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3g5u h ALA 1148N 1.93 0.73 -0.34 4.31 0.00 0.13 -3.44 119.26 122.59 3g5u h ALA 1148Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 3g5u h ALA 1148Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3g5u h ALA 1148CO 0.00 0.71 -0.12 0.09 0.00 0.00 0.00 179.25 179.93 3g5u n ASN 1149N -3.91 -3.70 -0.04 0.00 5.03 0.16 -4.66 115.26 108.14 3g5u n ASN 1149Ca -0.03 0.15 0.11 0.00 0.87 0.00 0.00 54.58 55.68 3g5u n ASN 1149Cb 0.63 -1.84 0.10 0.00 -1.02 0.00 0.00 39.78 37.65 3g5u n ASN 1149CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g5u n ILE 1150N -2.88 0.00 0.17 2.41 0.13 -1.09 -3.88 119.36 114.21 3g5u n ILE 1150Ca -0.06 -0.02 0.17 0.00 -1.10 0.00 0.00 62.75 61.73 3g5u n ILE 1150Cb 0.23 0.59 0.78 0.00 -0.84 0.00 0.00 39.64 40.40 3g5u n ILE 1150CO 0.00 0.00 0.00 -0.74 2.80 0.00 0.00 176.55 178.61 3g5u h HIS 1151N 0.19 0.00 -0.38 9.51 2.76 -1.72 0.21 115.15 125.73 3g5u h HIS 1151Ca 0.00 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 3g5u h HIS 1151Cb 0.51 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 3g5u h HIS 1151CO 0.00 0.00 0.34 1.96 -1.30 0.00 0.00 177.93 178.93 3g5u h GLN 1152N 0.00 0.00 0.01 5.26 4.20 -1.86 1.07 115.11 123.79 3g5u h GLN 1152Ca 0.11 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.49 3g5u h GLN 1152Cb 0.55 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 3g5u h GLN 1152CO -0.00 0.00 -2.07 1.19 -0.67 0.00 0.00 178.83 177.28 3g5u n PHE 1153N -4.04 0.52 -0.22 2.96 3.01 0.67 -4.30 117.46 116.06 3g5u n PHE 1153Ca 0.06 0.18 -0.08 0.00 1.01 0.00 0.00 57.45 58.62 3g5u n PHE 1153Cb 0.51 -1.09 0.03 0.00 -0.01 0.00 0.00 39.48 38.92 3g5u n PHE 1153CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g5u h ILE 1154N 0.00 1.25 -0.31 4.37 5.03 0.72 -3.00 117.51 125.58 3g5u h ILE 1154Ca -0.43 -0.93 0.07 0.00 -0.12 0.00 0.00 64.86 63.46 3g5u h ILE 1154Cb 2.11 0.65 -0.08 0.00 -3.03 0.00 0.00 36.82 36.47 3g5u h ILE 1154CO 0.05 0.35 -0.34 0.44 -0.68 0.00 0.00 178.15 177.97 3g5u h ASP 1155N 0.92 -1.10 0.00 1.72 3.32 0.72 -3.40 116.42 118.60 3g5u h ASP 1155Ca 0.20 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3g5u h ASP 1155Cb 0.36 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3g5u h ASP 1155CO 0.00 -0.34 0.00 -1.54 -1.72 0.00 0.00 179.24 175.64 3g5u n SER 1156N -5.41 0.00 0.00 6.45 3.41 -1.23 -4.97 113.62 111.86 3g5u n SER 1156Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3g5u n SER 1156Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3g5u n SER 1156CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g5u n LEU 1157N -0.80 0.00 0.00 1.04 7.99 -1.13 -3.79 117.00 120.31 3g5u n LEU 1157Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3g5u n LEU 1157Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3g5u n LEU 1157CO 0.00 0.00 0.00 -2.65 -1.51 0.00 0.00 177.39 173.23 3g5u n PRO 1158N 0.41 0.00 -0.55 3.23 -0.02 -1.26 -0.44 135.00 136.37 3g5u n PRO 1158Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3g5u n PRO 1158Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3g5u n PRO 1158CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g5u n ASP 1159N 0.00 -1.26 0.00 2.55 10.43 -1.26 -4.52 116.55 122.49 3g5u n ASP 1159Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3g5u n ASP 1159Cb 0.00 -2.44 0.00 0.00 1.84 0.00 0.00 41.12 40.52 3g5u n ASP 1159CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3g5u n LYS 1160N -1.05 0.00 -0.51 -1.24 5.02 0.41 -0.62 118.16 120.17 3g5u n LYS 1160Ca 0.00 0.00 0.42 0.00 -2.02 0.00 0.00 58.31 56.71 3g5u n LYS 1160Cb 0.10 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 35.82 3g5u n LYS 1160CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3g5u h TYR 1161N 0.00 0.40 0.00 2.13 0.99 -1.86 0.38 116.97 119.01 3g5u h TYR 1161Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3g5u h TYR 1161Cb 0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 36.73 37.63 3g5u h TYR 1161CO 0.00 -0.20 -0.05 -0.91 -0.00 0.00 0.00 178.16 177.00 3g5u h ASN 1162N 0.03 0.00 -1.63 3.88 2.35 -1.21 -2.10 115.58 116.91 3g5u h ASN 1162Ca 0.87 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.99 3g5u h ASN 1162Cb 2.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 41.31 3g5u h ASN 1162CO -0.35 0.05 1.40 0.41 -1.65 0.00 0.00 177.43 177.29 3g5u n THR 1163N -3.73 0.32 -1.39 2.81 -1.04 0.13 -4.64 114.28 106.74 3g5u n THR 1163Ca -0.02 -0.32 -0.34 0.00 -2.04 0.00 0.00 64.05 61.33 3g5u n THR 1163Cb 0.15 -2.07 0.10 0.00 -1.82 0.00 0.00 70.33 66.69 3g5u n THR 1163CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3g5u s ARG 1164N 5.91 2.06 0.33 -2.82 3.52 -1.26 -1.85 118.95 124.84 3g5u s ARG 1164Ca 1.03 1.79 0.12 0.00 -0.13 0.00 0.00 55.73 58.54 3g5u s ARG 1164Cb -0.61 -1.82 0.67 0.00 -1.56 0.00 0.00 34.95 31.63 3g5u s ARG 1164CO 0.44 -1.90 1.26 -0.39 -0.81 0.00 0.00 175.30 173.90 3g5u h VAL 1165N -0.36 0.00 -5.20 7.11 -1.51 -1.61 -3.44 116.25 111.25 3g5u h VAL 1165Ca -0.48 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.00 3g5u h VAL 1165Cb 1.30 0.27 -0.11 0.00 -2.13 0.00 0.00 31.29 30.62 3g5u h VAL 1165CO 0.49 0.00 -1.35 0.61 -1.23 0.00 0.00 177.57 176.09 3g5u n GLY 1166N -1.27 -4.44 2.12 5.19 0.00 -1.26 -3.20 105.19 102.33 3g5u n GLY 1166Ca -0.01 1.49 -0.07 0.00 0.00 0.00 0.00 46.02 47.44 3g5u n GLY 1166CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g5u n ASP 1167N 1.78 -2.69 0.00 1.61 2.03 -1.26 -3.35 116.55 114.67 3g5u n ASP 1167Ca -0.34 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 54.93 3g5u n ASP 1167Cb 0.54 -1.86 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 3g5u n ASP 1167CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3g5u n LYS 1168N -1.67 -0.06 0.00 -0.67 4.01 -1.26 -4.35 118.16 114.17 3g5u n LYS 1168Ca -0.06 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 3g5u n LYS 1168Cb 0.55 -2.98 0.00 0.00 -0.51 0.00 0.00 35.03 32.09 3g5u n LYS 1168CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g5u n GLY 1169N -2.02 1.15 2.19 0.72 0.00 -1.19 -4.61 105.19 101.43 3g5u n GLY 1169Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 3g5u n GLY 1169CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g5u n THR 1170N 0.00 0.00 0.00 2.61 -1.04 -1.26 -3.74 114.28 110.85 3g5u n THR 1170Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3g5u n THR 1170Cb 0.00 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 3g5u n THR 1170CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g5u n GLN 1171N 4.21 0.00 -3.64 -2.82 10.64 -1.26 -4.87 117.38 119.63 3g5u n GLN 1171Ca 0.42 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.51 3g5u n GLN 1171Cb 0.06 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.37 3g5u n GLN 1171CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3g5u s LEU 1172N 0.00 -0.92 0.69 2.61 1.43 -1.25 -5.13 118.68 116.11 3g5u s LEU 1172Ca 0.00 1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 54.44 3g5u s LEU 1172Cb 0.00 2.39 0.00 0.00 0.03 0.00 0.00 46.19 48.61 3g5u s LEU 1172CO 0.00 -0.24 1.08 -0.24 0.23 0.00 0.00 176.35 177.18 3g5u n SER 1173N 4.16 1.03 0.29 2.29 2.88 -1.26 -4.75 113.62 118.26 3g5u n SER 1173Ca -0.19 0.73 0.14 0.00 -1.33 0.00 0.00 58.87 58.21 3g5u n SER 1173Cb 0.59 -1.46 0.87 0.00 -0.75 0.00 0.00 64.21 63.46 3g5u n SER 1173CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3g5u h GLY 1174N 0.01 0.00 0.79 0.46 0.00 -1.98 -1.68 103.07 100.67 3g5u h GLY 1174Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3g5u h GLY 1174CO 0.49 0.00 -0.36 -1.33 0.00 0.00 0.00 176.54 175.34 3g5u h GLY 1175N 0.00 -0.93 0.69 4.60 0.00 -1.89 0.50 103.07 106.04 3g5u h GLY 1175Ca 0.01 0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.80 3g5u h GLY 1175CO -0.00 -0.33 0.40 1.46 0.00 0.00 0.00 176.54 178.06 3g5u h GLN 1176N -0.85 0.71 -0.16 4.80 7.50 -1.71 -1.42 115.11 123.98 3g5u h GLN 1176Ca -0.06 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.10 3g5u h GLN 1176Cb 0.71 -0.16 -0.06 0.00 0.05 0.00 0.00 27.48 28.02 3g5u h GLN 1176CO 0.04 0.47 -0.25 0.87 -1.50 0.00 0.00 178.83 178.46 3g5u h LYS 1177N 0.73 -0.29 -0.88 1.46 1.57 -0.60 0.37 116.57 118.94 3g5u h LYS 1177Ca 0.31 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.23 3g5u h LYS 1177Cb 0.18 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 3g5u h LYS 1177CO -0.18 -0.19 0.57 1.96 -0.57 0.00 0.00 179.45 181.03 3g5u h GLN 1178N -0.30 0.72 -0.81 3.15 1.08 0.58 0.38 115.11 119.91 3g5u h GLN 1178Ca 0.11 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 3g5u h GLN 1178Cb 0.47 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 3g5u h GLN 1178CO -0.33 0.48 0.49 0.00 -0.95 0.00 0.00 178.83 178.52 3g5u h ARG 1179N 0.75 0.86 0.32 1.46 3.08 0.10 0.07 114.38 121.01 3g5u h ARG 1179Ca 0.43 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 3g5u h ARG 1179Cb 0.60 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3g5u h ARG 1179CO -0.19 0.57 -0.15 0.82 -1.07 0.00 0.00 179.97 179.94 3g5u h ILE 1180N 0.88 0.64 -0.73 2.04 2.04 0.69 -1.47 117.51 121.60 3g5u h ILE 1180Ca 0.36 -0.65 0.11 0.00 1.00 0.00 0.00 64.86 65.68 3g5u h ILE 1180Cb 0.19 0.94 -0.13 0.00 -0.74 0.00 0.00 36.82 37.08 3g5u h ILE 1180CO -0.18 0.12 -0.41 0.00 0.00 0.00 0.00 178.15 177.68 3g5u h ALA 1181N -0.34 -0.12 -0.68 1.87 0.00 -0.22 0.85 119.26 120.61 3g5u h ALA 1181Ca -0.04 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3g5u h ALA 1181Cb 0.52 0.96 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3g5u h ALA 1181CO 0.07 -0.74 0.25 0.82 0.00 0.00 0.00 179.25 179.66 3g5u h ILE 1182N -0.13 0.71 0.00 0.00 5.03 -0.98 -0.81 117.51 121.34 3g5u h ILE 1182Ca 0.24 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.84 3g5u h ILE 1182Cb 0.56 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 3g5u h ILE 1182CO -0.79 0.08 0.00 0.00 -0.68 0.00 0.00 178.15 176.75 3g5u n ALA 1183N -2.50 0.00 0.00 1.87 0.00 0.26 -0.10 120.51 120.04 3g5u n ALA 1183Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3g5u n ALA 1183Cb 0.34 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3g5u n ALA 1183CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3g5u n ARG 1184N -0.63 0.00 0.00 0.00 0.63 0.54 -0.10 116.66 117.11 3g5u n ARG 1184Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3g5u n ARG 1184Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3g5u n ARG 1184CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g5u n ALA 1185N -2.49 -0.25 0.00 5.13 0.00 -0.36 -1.59 120.51 120.95 3g5u n ALA 1185Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 1185Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3g5u n ALA 1185CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3g5u n LEU 1186N -1.45 0.00 0.07 0.00 -0.00 0.86 0.33 117.00 116.82 3g5u n LEU 1186Ca 0.00 0.11 -0.18 0.00 -0.00 0.00 0.00 56.01 55.95 3g5u n LEU 1186Cb 0.00 -0.11 -0.14 0.00 -0.00 0.00 0.00 43.42 43.16 3g5u n LEU 1186CO 0.00 -0.11 -0.34 0.58 -0.00 0.00 0.00 177.39 177.51 3g5u h VAL 1187N 0.00 1.14 0.00 1.47 2.07 0.11 -3.10 116.25 117.94 3g5u h VAL 1187Ca 0.00 -2.77 -0.01 0.00 0.82 0.00 0.00 66.70 64.75 3g5u h VAL 1187Cb 0.06 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3g5u h VAL 1187CO 0.00 0.82 -0.03 -0.09 0.02 0.00 0.00 177.57 178.30 3g5u h ARG 1188N 0.08 0.00 -5.76 1.57 2.43 0.65 -3.47 114.38 109.87 3g5u h ARG 1188Ca -0.25 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.59 3g5u h ARG 1188Cb 2.03 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 31.73 3g5u h ARG 1188CO 0.17 0.03 -0.86 1.04 -1.51 0.00 0.00 179.97 178.84 3g5u n GLN 1189N -3.14 -3.21 0.00 0.20 1.13 -0.81 -5.00 117.38 106.55 3g5u n GLN 1189Ca 0.00 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 3g5u n GLN 1189Cb 0.29 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 25.27 3g5u n GLN 1189CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3g5u n PRO 1190N -3.76 2.51 0.00 -1.09 -0.02 -1.26 -5.01 135.00 126.36 3g5u n PRO 1190Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3g5u n PRO 1190Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 3g5u n PRO 1190CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g5u n HIS 1191N 0.00 0.00 -4.43 6.00 8.25 -1.26 -5.03 115.22 118.75 3g5u n HIS 1191Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 3g5u n HIS 1191Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 3g5u n HIS 1191CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3g5u s ILE 1192N -0.96 2.31 -0.02 1.59 -1.16 -1.21 -0.40 121.20 121.35 3g5u s ILE 1192Ca 0.00 -2.20 -0.01 0.00 -0.51 0.00 0.00 60.65 57.92 3g5u s ILE 1192Cb 0.00 -2.17 0.01 0.00 0.61 0.00 0.00 42.46 40.91 3g5u s ILE 1192CO 0.00 -0.30 0.05 -0.76 -2.81 0.00 0.00 174.94 171.12 3g5u s LEU 1193N -3.09 1.61 -0.55 8.50 1.43 -0.42 -1.22 118.68 124.95 3g5u s LEU 1193Ca 0.24 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3g5u s LEU 1193Cb -0.06 0.13 0.14 0.00 0.03 0.00 0.00 46.19 46.43 3g5u s LEU 1193CO 0.12 -0.05 0.36 -0.76 0.23 0.00 0.00 176.35 176.25 3g5u s LEU 1194N 0.30 5.29 -1.06 1.79 1.43 0.23 0.11 118.68 126.77 3g5u s LEU 1194Ca -0.02 -2.52 -0.13 0.00 -1.03 0.00 0.00 54.13 50.43 3g5u s LEU 1194Cb -0.03 -1.86 0.21 0.00 0.03 0.00 0.00 46.19 44.54 3g5u s LEU 1194CO -0.01 -0.45 1.15 -0.76 0.23 0.00 0.00 176.35 176.51 3g5u s LEU 1195N 0.43 5.81 -1.04 1.79 1.02 -0.71 -1.67 118.68 124.32 3g5u s LEU 1195Ca 0.13 -2.98 -0.23 0.00 0.02 0.00 0.00 54.13 51.08 3g5u s LEU 1195Cb -0.21 -2.30 0.03 0.00 0.02 0.00 0.00 46.19 43.73 3g5u s LEU 1195CO -0.04 -0.61 1.59 -0.62 0.02 0.00 0.00 176.35 176.69 3g5u s ASP 1196N 2.33 6.24 -0.16 2.29 -1.08 -0.70 -1.61 116.67 123.97 3g5u s ASP 1196Ca 0.32 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 3g5u s ASP 1196Cb -0.07 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 3g5u s ASP 1196CO -0.06 -1.75 0.00 -0.62 0.52 0.00 0.00 175.17 173.26 3g5u n GLU 1197N 8.80 -1.88 0.00 4.34 1.02 -0.26 -2.67 120.64 129.99 3g5u n GLU 1197Ca 0.37 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3g5u n GLU 1197Cb 0.49 -4.34 0.00 0.00 -0.02 0.00 0.00 31.44 27.57 3g5u n GLU 1197CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g5u n ALA 1198N -1.56 0.00 -2.27 0.62 0.00 -1.26 -2.46 120.51 113.58 3g5u n ALA 1198Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 3g5u n ALA 1198Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3g5u n ALA 1198CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3g5u s THR 1199N 0.00 3.54 -0.02 0.00 -4.23 -1.26 -4.07 115.64 109.60 3g5u s THR 1199Ca 0.00 0.17 0.13 0.00 -1.18 0.00 0.00 61.69 60.81 3g5u s THR 1199Cb 0.00 -4.39 0.22 0.00 1.34 0.00 0.00 72.50 69.67 3g5u s THR 1199CO 0.00 -1.34 1.09 -0.24 -0.54 0.00 0.00 174.62 173.59 3g5u n SER 1200N 11.34 0.63 -2.78 3.99 2.88 -1.03 -4.89 113.62 123.76 3g5u n SER 1200Ca 0.16 -2.14 0.02 0.00 -1.33 0.00 0.00 58.87 55.58 3g5u n SER 1200Cb 0.50 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.70 3g5u n SER 1200CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g5u s ALA 1201N -0.28 -4.39 0.00 -1.46 0.00 -1.26 -5.14 121.76 109.23 3g5u s ALA 1201Ca 0.18 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3g5u s ALA 1201Cb 0.20 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3g5u s ALA 1201CO -0.08 -2.49 0.00 -0.11 0.00 0.00 0.00 175.76 173.08 3g5u n LEU 1202N 3.68 0.00 0.00 0.00 7.94 -1.26 -4.88 117.00 122.48 3g5u n LEU 1202Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 3g5u n LEU 1202Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 3g5u n LEU 1202CO -0.11 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.27 3g5u n ASP 1203N 0.00 0.00 0.00 1.96 3.85 -1.26 -4.99 116.55 116.11 3g5u n ASP 1203Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3g5u n ASP 1203Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3g5u n ASP 1203CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3g5u n THR 1204N -0.61 0.00 -0.10 2.12 -1.04 -1.26 -1.49 114.28 111.90 3g5u n THR 1204Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3g5u n THR 1204Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3g5u n THR 1204CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3g5u h GLU 1205N 0.00 0.16 -0.56 -2.82 5.08 -2.01 -1.88 114.58 112.56 3g5u h GLU 1205Ca 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3g5u h GLU 1205Cb 0.00 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 3g5u h GLU 1205CO 0.00 0.11 -0.32 0.43 -1.00 0.00 0.00 179.01 178.23 3g5u n SER 1206N -5.11 -0.57 0.50 1.42 7.64 -0.96 0.37 113.62 116.91 3g5u n SER 1206Ca 0.01 1.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.70 3g5u n SER 1206Cb 0.16 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.13 3g5u n SER 1206CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3g5u h GLU 1207N 0.00 -1.22 0.00 1.43 5.08 -0.87 -2.00 114.58 117.00 3g5u h GLU 1207Ca 0.10 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3g5u h GLU 1207Cb 0.24 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3g5u h GLU 1207CO -0.53 -0.82 0.00 1.17 -1.00 0.00 0.00 179.01 177.83 3g5u n LYS 1208N -5.47 0.00 -0.26 2.33 0.00 1.17 -2.46 118.16 113.47 3g5u n LYS 1208Ca -0.16 0.63 0.20 0.00 0.00 0.00 0.00 58.31 58.99 3g5u n LYS 1208Cb 0.50 -1.37 0.38 0.00 0.00 0.00 0.00 35.03 34.54 3g5u n LYS 1208CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3g5u n VAL 1209N -2.07 -0.33 -0.01 3.15 3.14 0.24 0.14 118.33 122.59 3g5u n VAL 1209Ca 0.00 1.67 -0.03 0.00 -2.96 0.00 0.00 64.34 63.02 3g5u n VAL 1209Cb 0.00 -2.60 0.21 0.00 -1.06 0.00 0.00 33.84 30.38 3g5u n VAL 1209CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3g5u h VAL 1210N 0.00 1.25 0.00 1.55 2.07 -1.06 0.12 116.25 120.18 3g5u h VAL 1210Ca 0.60 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3g5u h VAL 1210Cb 1.49 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3g5u h VAL 1210CO -0.66 0.37 -0.20 1.56 0.02 0.00 0.00 177.57 178.66 3g5u h GLN 1211N 0.50 0.00 -0.05 1.57 1.08 0.16 0.67 115.11 119.05 3g5u h GLN 1211Ca 0.08 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.06 3g5u h GLN 1211Cb 0.58 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 3g5u h GLN 1211CO 0.04 0.20 -0.89 1.49 -0.95 0.00 0.00 178.83 178.71 3g5u h GLU 1212N 0.00 0.57 0.00 1.46 4.22 -0.34 0.16 114.58 120.65 3g5u h GLU 1212Ca -0.00 -0.55 0.00 0.00 0.08 0.00 0.00 59.36 58.89 3g5u h GLU 1212Cb 0.47 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3g5u h GLU 1212CO 0.03 1.17 0.00 0.00 -2.18 0.00 0.00 179.01 178.03 3g5u n ALA 1213N -2.58 -0.19 -0.61 2.92 0.00 0.21 -1.42 120.51 118.85 3g5u n ALA 1213Ca -0.07 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.83 3g5u n ALA 1213Cb 0.80 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.99 3g5u n ALA 1213CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3g5u n LEU 1214N -1.31 0.04 0.00 0.00 0.00 0.22 0.13 117.00 116.09 3g5u n LEU 1214Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 56.01 57.02 3g5u n LEU 1214Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 43.42 42.92 3g5u n LEU 1214CO 0.00 -1.03 0.15 -0.67 0.00 0.00 0.00 177.39 175.84 3g5u n ASP 1215N -3.96 0.00 0.10 1.96 2.03 0.56 -1.53 116.55 115.71 3g5u n ASP 1215Ca 0.41 0.30 0.05 0.00 0.52 0.00 0.00 54.79 56.07 3g5u n ASP 1215Cb 1.78 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 42.47 3g5u n ASP 1215CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3g5u n LYS 1216N -0.33 0.07 0.16 -0.67 4.76 -0.34 0.19 118.16 121.99 3g5u n LYS 1216Ca 0.00 0.52 0.02 0.00 -2.87 0.00 0.00 58.31 55.98 3g5u n LYS 1216Cb 0.00 -1.87 0.21 0.00 -1.84 0.00 0.00 35.03 31.54 3g5u n LYS 1216CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g5u h ALA 1217N 1.57 0.90 -3.00 7.82 0.00 0.12 -3.45 119.26 123.23 3g5u h ALA 1217Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3g5u h ALA 1217Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g5u h ALA 1217CO 0.00 0.65 0.00 2.89 0.00 0.00 0.00 179.25 182.79 3g5u n ARG 1218N -3.58 3.27 0.00 0.00 0.00 0.52 -4.55 116.66 112.31 3g5u n ARG 1218Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3g5u n ARG 1218Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.06 3g5u n ARG 1218CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3g5u n GLU 1219N 0.00 0.00 0.01 2.89 4.07 -1.26 -4.06 120.64 122.29 3g5u n GLU 1219Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 3g5u n GLU 1219Cb 0.00 -3.48 -0.06 0.00 -0.06 0.00 0.00 31.44 27.84 3g5u n GLU 1219CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3g5u n GLY 1220N -1.31 -1.10 3.40 8.31 0.00 -1.26 -4.71 105.19 108.52 3g5u n GLY 1220Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3g5u n GLY 1220CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3g5u s ARG 1221N -3.19 1.22 0.35 1.61 3.03 -1.26 -4.80 118.95 115.91 3g5u s ARG 1221Ca 0.03 -0.51 -0.27 0.00 2.03 0.00 0.00 55.73 57.01 3g5u s ARG 1221Cb 0.15 0.56 -0.09 0.00 -1.03 0.00 0.00 34.95 34.53 3g5u s ARG 1221CO 0.84 -0.51 1.23 0.99 -1.13 0.00 0.00 175.30 176.71 3g5u s THR 1222N -3.67 2.97 -0.21 4.99 2.01 0.46 -3.61 115.64 118.58 3g5u s THR 1222Ca 0.01 0.92 -0.15 0.00 0.31 0.00 0.00 61.69 62.78 3g5u s THR 1222Cb -0.00 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 69.01 3g5u s THR 1222CO -0.12 0.17 0.54 0.00 -0.69 0.00 0.00 174.62 174.52 3g5u s ILE 1224N 1.02 5.00 -0.34 0.00 1.01 0.31 -1.30 121.20 126.90 3g5u s ILE 1224Ca -0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3g5u s ILE 1224Cb -0.06 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 3g5u s ILE 1224CO -0.09 -0.81 0.45 0.54 0.00 0.00 0.00 174.94 175.03 3g5u s VAL 1225N 2.27 5.08 0.04 2.92 0.11 -0.73 -1.74 120.40 128.35 3g5u s VAL 1225Ca 0.10 0.28 0.08 0.00 -2.93 0.00 0.00 61.98 59.51 3g5u s VAL 1225Cb -0.23 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 3g5u s VAL 1225CO 0.08 -0.13 -0.21 0.27 -3.33 0.00 0.00 175.10 171.78 3g5u s ILE 1226N 2.24 2.54 0.16 7.04 -5.25 -0.63 -1.75 121.20 125.53 3g5u s ILE 1226Ca 0.16 -1.25 -0.24 0.00 -0.99 0.00 0.00 60.65 58.33 3g5u s ILE 1226Cb -0.16 -2.04 0.07 0.00 2.95 0.00 0.00 42.46 43.29 3g5u s ILE 1226CO 0.12 0.36 1.03 0.00 -1.79 0.00 0.00 174.94 174.66 3g5u s ALA 1227N -0.87 -1.66 -0.68 2.27 0.00 -0.84 -1.10 121.76 118.87 3g5u s ALA 1227Ca 0.13 -0.07 0.14 0.00 0.00 0.00 0.00 51.96 52.16 3g5u s ALA 1227Cb -0.10 0.68 0.45 0.00 0.00 0.00 0.00 23.12 24.15 3g5u s ALA 1227CO 0.04 -1.06 1.37 1.58 0.00 0.00 0.00 175.76 177.69 3g5u n HIS 1228N -0.59 0.79 -1.86 0.00 -0.00 -1.26 -4.65 115.22 107.64 3g5u n HIS 1228Ca -0.05 -0.66 -0.40 0.00 0.46 0.00 0.00 57.72 57.08 3g5u n HIS 1228Cb 0.60 -0.16 -0.01 0.00 -0.12 0.00 0.00 29.99 30.30 3g5u n HIS 1228CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3g5u n ARG 1229N 0.23 4.41 0.04 1.57 5.12 -1.26 -4.74 116.66 122.03 3g5u n ARG 1229Ca 0.17 -3.22 0.16 0.00 -1.93 0.00 0.00 57.85 53.03 3g5u n ARG 1229Cb 0.67 -2.65 0.26 0.00 -1.16 0.00 0.00 32.46 29.57 3g5u n ARG 1229CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3g5u h LEU 1230N 5.80 0.00 0.00 0.55 -0.00 -1.98 -1.74 115.31 117.94 3g5u h LEU 1230Ca 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.61 3g5u h LEU 1230Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 3g5u h LEU 1230CO 1.52 0.00 0.00 -1.54 -0.00 0.00 0.00 178.44 178.42 3g5u n SER 1231N -2.93 0.00 0.00 0.17 3.41 -1.26 -4.21 113.62 108.80 3g5u n SER 1231Ca 0.12 0.45 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 3g5u n SER 1231Cb 1.26 -0.46 0.20 0.00 -0.26 0.00 0.00 64.21 64.95 3g5u n SER 1231CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3g5u n THR 1232N -1.89 0.00 0.48 6.66 -2.24 -0.81 -2.84 114.28 113.64 3g5u n THR 1232Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3g5u n THR 1232Cb 0.00 -0.43 0.41 0.00 -2.10 0.00 0.00 70.33 68.21 3g5u n THR 1232CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3g5u h ILE 1233N 0.00 0.00 -1.29 2.28 6.09 -1.51 -3.36 117.51 119.72 3g5u h ILE 1233Ca 0.00 -0.51 0.41 0.00 -1.37 0.00 0.00 64.86 63.39 3g5u h ILE 1233Cb 0.00 1.45 -0.12 0.00 0.47 0.00 0.00 36.82 38.62 3g5u h ILE 1233CO 0.00 0.00 0.83 1.56 -3.07 0.00 0.00 178.15 177.47 3g5u h GLN 1234N 0.00 0.12 -2.04 2.19 4.20 -1.78 -2.77 115.11 115.04 3g5u h GLN 1234Ca 0.00 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3g5u h GLN 1234Cb 0.67 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3g5u h GLN 1234CO 0.00 0.08 -0.22 0.27 -0.67 0.00 0.00 178.83 178.29 3g5u n ASN 1235N -4.66 4.93 -4.68 1.46 6.94 -1.26 -4.84 115.26 113.15 3g5u n ASN 1235Ca 0.35 -2.38 -0.30 0.00 -0.02 0.00 0.00 54.58 52.23 3g5u n ASN 1235Cb 1.35 -1.24 -0.08 0.00 -2.36 0.00 0.00 39.78 37.46 3g5u n ASN 1235CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5u s ALA 1236N 0.80 3.28 -0.03 -2.53 0.00 -1.05 -5.03 121.76 117.21 3g5u s ALA 1236Ca 0.42 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3g5u s ALA 1236Cb 0.20 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 3g5u s ALA 1236CO 0.00 0.67 0.08 -0.44 0.00 0.00 0.00 175.76 176.06 3g5u h ASP 1237N 3.31 -0.02 -3.61 0.00 3.45 -1.73 -3.44 116.42 114.37 3g5u h ASP 1237Ca -0.48 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.34 3g5u h ASP 1237Cb 1.17 0.01 -0.37 0.00 -0.56 0.00 0.00 39.33 39.58 3g5u h ASP 1237CO 0.59 0.13 -0.81 -0.22 -1.57 0.00 0.00 179.24 177.36 3g5u s LEU 1238N -5.42 2.79 -0.36 1.55 2.96 -1.17 -4.67 118.68 114.37 3g5u s LEU 1238Ca -0.00 -1.13 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 3g5u s LEU 1238Cb 0.00 -1.37 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 3g5u s LEU 1238CO 0.01 -0.17 0.46 -0.63 -1.32 0.00 0.00 176.35 174.70 3g5u s ILE 1239N 1.27 5.07 -0.15 6.68 1.09 -0.59 -0.81 121.20 133.77 3g5u s ILE 1239Ca -0.05 0.17 -0.04 0.00 -1.10 0.00 0.00 60.65 59.64 3g5u s ILE 1239Cb -0.18 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.26 3g5u s ILE 1239CO -0.07 -0.20 -0.02 -0.69 -0.10 0.00 0.00 174.94 173.86 3g5u s VAL 1240N 2.25 4.09 -0.41 2.92 1.01 -0.82 -1.58 120.40 127.86 3g5u s VAL 1240Ca 0.16 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3g5u s VAL 1240Cb -0.16 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.48 3g5u s VAL 1240CO 0.13 0.51 0.28 -0.69 0.00 0.00 0.00 175.10 175.32 3g5u s VAL 1241N 0.16 4.74 -0.12 2.92 1.01 -0.65 -1.84 120.40 126.61 3g5u s VAL 1241Ca -0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 3g5u s VAL 1241Cb -0.13 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3g5u s VAL 1241CO 0.02 -0.40 0.11 -0.51 0.00 0.00 0.00 175.10 174.32 3g5u s ILE 1242N 1.56 5.23 -0.68 2.22 1.10 -0.66 -1.94 121.20 128.04 3g5u s ILE 1242Ca 0.03 0.11 -0.05 0.00 -0.51 0.00 0.00 60.65 60.23 3g5u s ILE 1242Cb -0.21 -3.28 0.18 0.00 0.15 0.00 0.00 42.46 39.30 3g5u s ILE 1242CO 0.06 0.60 0.52 -1.58 -2.11 0.00 0.00 174.94 172.43 3g5u s GLN 1243N -0.88 2.80 0.00 3.50 2.00 0.12 -3.47 119.66 123.74 3g5u s GLN 1243Ca 0.14 -2.56 0.00 0.00 -2.00 0.00 0.00 55.36 50.94 3g5u s GLN 1243Cb -0.12 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 29.81 3g5u s GLN 1243CO 0.03 -1.20 0.00 0.09 -0.50 0.00 0.00 175.29 173.71 3g5u n ASN 1244N 3.52 0.00 0.00 6.67 3.02 -1.26 -1.59 115.26 125.62 3g5u n ASN 1244Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3g5u n ASN 1244Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3g5u n ASN 1244CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5u n GLY 1245N 0.60 3.03 2.91 7.41 0.00 0.34 -4.89 105.19 114.59 3g5u n GLY 1245Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 3g5u n GLY 1245CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g5u s LYS 1246N 0.00 0.78 -0.19 1.61 0.00 -0.62 -1.80 119.74 119.51 3g5u s LYS 1246Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 55.97 55.57 3g5u s LYS 1246Cb 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 37.83 37.05 3g5u s LYS 1246CO 0.00 -0.03 0.89 0.54 0.00 0.00 0.00 175.35 176.75 3g5u s VAL 1247N 0.68 4.82 -0.11 1.79 0.11 -1.26 0.12 120.40 126.54 3g5u s VAL 1247Ca -0.09 1.73 0.06 0.00 -2.93 0.00 0.00 61.98 60.75 3g5u s VAL 1247Cb -0.12 -4.18 -0.11 0.00 -1.53 0.00 0.00 36.38 30.43 3g5u s VAL 1247CO 0.00 -0.04 -0.02 1.17 -3.33 0.00 0.00 175.10 172.88 3g5u n LYS 1248N 5.62 1.61 -4.47 1.54 4.81 -0.82 -4.92 118.16 121.53 3g5u n LYS 1248Ca 0.07 0.02 -0.23 0.00 -0.87 0.00 0.00 58.31 57.30 3g5u n LYS 1248Cb 0.48 -1.27 -0.10 0.00 0.02 0.00 0.00 35.03 34.16 3g5u n LYS 1248CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3g5u s GLU 1249N -2.26 1.73 0.00 1.64 2.02 -0.89 -5.02 118.70 115.93 3g5u s GLU 1249Ca -0.10 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 52.90 3g5u s GLU 1249Cb 0.04 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.48 3g5u s GLU 1249CO 0.39 -0.28 0.00 -2.39 0.02 0.00 0.00 175.26 173.00 3g5u n HIS 1250N -0.75 0.00 0.00 1.61 1.44 -1.26 -1.64 115.22 114.62 3g5u n HIS 1250Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3g5u n HIS 1250Cb 0.66 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.77 3g5u n HIS 1250CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3g5u n GLY 1251N -0.64 0.72 3.94 -1.39 0.00 -0.61 -4.85 105.19 102.35 3g5u n GLY 1251Ca 0.00 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 3g5u n GLY 1251CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g5u s THR 1252N -3.13 4.67 0.00 2.61 -1.32 -1.26 -1.54 115.64 115.67 3g5u s THR 1252Ca 0.00 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3g5u s THR 1252Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 3g5u s THR 1252CO 0.00 -0.55 0.77 1.57 -2.21 0.00 0.00 174.62 174.20 3g5u n HIS 1253N -2.01 0.00 0.13 9.09 -0.00 -1.26 0.12 115.22 121.28 3g5u n HIS 1253Ca -0.01 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.34 3g5u n HIS 1253Cb 0.56 -0.27 0.75 0.00 -0.12 0.00 0.00 29.99 30.91 3g5u n HIS 1253CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 3g5u h GLN 1254N 0.00 0.00 -0.40 1.57 -0.00 -1.97 0.54 115.11 114.84 3g5u h GLN 1254Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 3g5u h GLN 1254Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 3g5u h GLN 1254CO 0.00 0.00 -0.33 0.37 -0.00 0.00 0.00 178.83 178.87 3g5u h GLN 1255N 0.00 0.92 -0.48 0.06 4.15 -1.66 0.24 115.11 118.35 3g5u h GLN 1255Ca 0.15 -0.45 -0.08 0.00 0.77 0.00 0.00 58.65 59.04 3g5u h GLN 1255Cb 0.70 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 3g5u h GLN 1255CO -0.00 1.11 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.92 3g5u h LEU 1256N 0.77 0.84 -0.57 -2.39 3.38 0.60 -1.41 115.31 116.52 3g5u h LEU 1256Ca 0.08 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3g5u h LEU 1256Cb 0.91 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3g5u h LEU 1256CO 0.08 0.95 0.03 0.25 0.09 0.00 0.00 178.44 179.84 3g5u h LEU 1257N 0.70 0.96 -0.77 1.67 5.85 -0.95 -0.66 115.31 122.12 3g5u h LEU 1257Ca 0.13 -0.29 0.18 0.00 0.84 0.00 0.00 57.88 58.74 3g5u h LEU 1257Cb 0.53 -0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.18 3g5u h LEU 1257CO 0.03 1.02 0.12 0.00 -0.34 0.00 0.00 178.44 179.27 3g5u h ALA 1258N 0.98 0.95 0.00 1.25 0.00 -0.07 0.17 119.26 122.54 3g5u h ALA 1258Ca 0.16 0.21 -0.65 0.00 0.00 0.00 0.00 54.91 54.63 3g5u h ALA 1258Cb 0.51 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3g5u h ALA 1258CO 0.02 -0.40 3.39 1.04 0.00 0.00 0.00 179.25 183.30 3g5u n GLN 1259N -5.24 3.10 -1.65 0.00 3.00 -0.25 -4.92 117.38 111.41 3g5u n GLN 1259Ca 0.15 -2.22 -0.53 0.00 -0.01 0.00 0.00 57.00 54.40 3g5u n GLN 1259Cb 0.51 -2.92 -0.06 0.00 0.00 0.00 0.00 30.24 27.76 3g5u n GLN 1259CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3g5u n LYS 1260N 4.69 1.40 0.00 -1.09 4.01 0.58 -4.51 118.16 123.24 3g5u n LYS 1260Ca 0.64 0.51 0.00 0.00 -0.51 0.00 0.00 58.31 58.95 3g5u n LYS 1260Cb 0.28 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 3g5u n LYS 1260CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g5u n GLY 1261N 3.46 -0.72 0.00 0.72 0.00 -1.26 -4.97 105.19 102.41 3g5u n GLY 1261Ca 0.22 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3g5u n GLY 1261CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g5u n ILE 1262N 0.00 0.00 -0.33 -0.61 -0.00 -1.26 -0.47 119.36 116.69 3g5u n ILE 1262Ca 0.00 1.11 0.24 0.00 -0.00 0.00 0.00 62.75 64.10 3g5u n ILE 1262Cb 0.00 -2.05 0.47 0.00 -0.00 0.00 0.00 39.64 38.07 3g5u n ILE 1262CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.55 176.77 3g5u h TYR 1263N 0.00 0.84 0.14 1.39 3.20 -1.89 0.27 116.97 120.92 3g5u h TYR 1263Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3g5u h TYR 1263Cb 0.00 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3g5u h TYR 1263CO 0.02 -0.24 -0.20 0.35 -1.64 0.00 0.00 178.16 176.46 3g5u h PHE 1264N 0.25 -0.55 -1.31 -3.82 3.04 -1.79 -1.15 116.94 111.61 3g5u h PHE 1264Ca 0.73 0.01 0.40 0.00 3.98 0.00 0.00 57.97 63.09 3g5u h PHE 1264Cb 1.71 0.22 -0.11 0.00 2.56 0.00 0.00 35.95 40.33 3g5u h PHE 1264CO -0.04 -0.25 0.87 1.03 -2.02 0.00 0.00 178.31 177.90 3g5u h SER 1265N -0.35 0.24 -0.53 0.41 0.87 0.22 1.70 113.55 116.10 3g5u h SER 1265Ca -0.02 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3g5u h SER 1265Cb 0.32 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3g5u h SER 1265CO -0.06 -0.09 0.16 0.24 -0.53 0.00 0.00 176.83 176.56 3g5u h MET 1266N 0.13 0.83 0.05 2.24 2.86 -0.24 0.65 114.93 121.46 3g5u h MET 1266Ca 0.76 -0.18 -0.26 0.00 -2.06 0.00 0.00 59.70 57.96 3g5u h MET 1266Cb 2.43 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 33.98 3g5u h MET 1266CO -0.31 0.77 -1.08 0.28 1.06 0.00 0.00 176.91 177.64 3g5u h VAL 1267N 0.74 1.38 0.00 -2.22 2.07 0.33 -1.77 116.25 116.77 3g5u h VAL 1267Ca 0.17 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 3g5u h VAL 1267Cb 0.29 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3g5u h VAL 1267CO -0.00 0.76 -0.09 0.77 0.02 0.00 0.00 177.57 179.03 3g5u h SER 1268N 0.23 0.00 0.47 0.57 4.64 0.21 -1.80 113.55 117.87 3g5u h SER 1268Ca -0.12 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.90 3g5u h SER 1268Cb 1.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.80 3g5u h SER 1268CO 0.19 0.09 -1.61 1.62 -0.87 0.00 0.00 176.83 176.25 3g5u h VAL 1269N 0.00 1.03 -0.78 0.95 3.04 -0.83 -3.30 116.25 116.35 3g5u h VAL 1269Ca -0.00 -2.76 0.08 0.00 -1.01 0.00 0.00 66.70 63.01 3g5u h VAL 1269Cb 0.53 2.61 -0.05 0.00 -2.01 0.00 0.00 31.29 32.38 3g5u h VAL 1269CO 0.01 0.74 0.51 -0.61 -1.01 0.00 0.00 177.57 177.21 3g5u h GLN 1270N 0.04 0.74 -0.00 4.17 4.15 -0.53 -3.51 115.11 120.16 3g5u h GLN 1270Ca -0.26 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3g5u h GLN 1270Cb 1.99 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.52 3g5u h GLN 1270CO 0.12 0.49 0.00 0.00 -1.93 0.00 0.00 178.83 177.51