#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqk h LEU 12 N 0.00 0.00 -1.33 0.99 7.12 -1.96 -3.34 115.31 116.78 3hqk h LEU 12 Ca 0.00 -0.18 -0.05 0.00 0.13 0.00 0.00 57.88 57.77 3hqk h LEU 12 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 3hqk h LEU 12 CO 0.00 0.64 -0.11 -0.29 -0.13 0.00 0.00 178.44 178.54 3hqk h ILE 13 N -1.00 1.19 -0.00 4.05 6.09 -2.00 0.98 117.51 126.81 3hqk h ILE 13 Ca -0.01 -0.82 0.00 0.00 -1.37 0.00 0.00 64.86 62.66 3hqk h ILE 13 Cb 0.26 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.72 3hqk h ILE 13 CO -0.01 0.26 -0.01 -2.65 -3.07 0.00 0.00 178.15 172.67 3hqk n PRO 14 N -4.26 0.91 -0.06 2.19 -0.02 -1.26 -3.29 135.00 129.20 3hqk n PRO 14 Ca -0.00 -0.11 -0.05 0.00 -2.02 0.00 0.00 63.50 61.32 3hqk n PRO 14 Cb 0.27 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 3hqk n PRO 14 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hqk n VAL 15 N -0.95 0.78 0.02 -1.45 0.31 0.18 -3.53 118.33 113.69 3hqk n VAL 15 Ca 0.20 -0.52 0.02 0.00 -0.01 0.00 0.00 64.34 64.04 3hqk n VAL 15 Cb 0.18 -0.55 0.38 0.00 -0.91 0.00 0.00 33.84 32.94 3hqk n VAL 15 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3hqk h THR 16 N 0.00 1.15 -0.66 2.52 1.35 -1.21 -1.92 112.91 114.14 3hqk h THR 16 Ca -0.31 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 3hqk h THR 16 Cb 1.65 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.83 3hqk h THR 16 CO 0.02 0.18 0.18 -0.07 -0.25 0.00 0.00 175.52 175.58 3hqk h LEU 17 N 0.47 0.99 -0.49 3.87 3.38 -1.72 -3.12 115.31 118.70 3hqk h LEU 17 Ca 0.12 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hqk h LEU 17 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hqk h LEU 17 CO -0.01 0.95 0.16 -0.03 0.09 0.00 0.00 178.44 179.60 3hqk h MET 18 N 0.97 0.75 -0.56 1.13 4.05 -1.40 0.03 114.93 119.91 3hqk h MET 18 Ca 0.21 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3hqk h MET 18 Cb 0.34 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3hqk h MET 18 CO -0.00 0.70 0.24 0.28 0.23 0.00 0.00 176.91 178.36 3hqk h VAL 19 N 0.65 1.21 -0.68 -5.77 2.07 -1.56 -0.27 116.25 111.91 3hqk h VAL 19 Ca 0.16 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3hqk h VAL 19 Cb 0.25 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3hqk h VAL 19 CO -0.01 0.25 0.21 0.77 0.02 0.00 0.00 177.57 178.81 3hqk h SER 20 N 0.76 0.99 -0.60 0.57 4.64 -1.46 -2.44 113.55 116.00 3hqk h SER 20 Ca 0.19 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3hqk h SER 20 Cb 0.17 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 3hqk h SER 20 CO -0.02 0.94 0.24 1.23 -0.87 0.00 0.00 176.83 178.35 3hqk h GLY 21 N 0.99 1.00 1.24 -0.77 0.00 -0.55 -1.86 103.07 103.12 3hqk h GLY 21 Ca 0.22 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3hqk h GLY 21 CO -0.01 0.50 0.36 3.43 0.00 0.00 0.00 176.54 180.82 3hqk h ASN 22 N 0.92 0.90 -0.02 0.19 2.35 -0.58 -3.11 115.58 116.22 3hqk h ASN 22 Ca 0.21 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 3hqk h ASN 22 Cb 0.19 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.34 3hqk h ASN 22 CO -0.02 0.74 -0.42 0.40 -1.65 0.00 0.00 177.43 176.49 3hqk h ILE 23 N 1.00 1.46 -0.94 2.81 2.04 -1.05 -3.36 117.51 119.47 3hqk h ILE 23 Ca 0.25 -1.94 -0.56 0.00 1.00 0.00 0.00 64.86 63.61 3hqk h ILE 23 Cb 0.07 2.56 -0.14 0.00 -0.74 0.00 0.00 36.82 38.57 3hqk h ILE 23 CO -0.04 0.55 1.13 0.23 0.00 0.00 0.00 178.15 180.03 3hqk n MET 24 N -4.36 3.14 0.12 2.37 2.81 -1.00 -4.32 117.12 115.89 3hqk n MET 24 Ca -0.10 -2.57 0.13 0.00 -1.81 0.00 0.00 57.70 53.35 3hqk n MET 24 Cb 0.57 -2.32 0.32 0.00 -0.71 0.00 0.00 33.22 31.09 3hqk n MET 24 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3hqk h GLY 25 N 4.71 0.00 -3.48 3.03 0.00 -1.70 -3.23 103.07 102.39 3hqk h GLY 25 Ca 0.50 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.62 3hqk h GLY 25 CO 1.05 0.00 -0.95 -1.26 0.00 0.00 0.00 176.54 175.38 3hqk n SER 26 N -2.41 1.73 0.02 0.19 2.88 -1.26 -4.67 113.62 110.09 3hqk n SER 26 Ca 0.05 -2.51 0.08 0.00 -1.33 0.00 0.00 58.87 55.15 3hqk n SER 26 Cb 0.45 -0.40 0.49 0.00 -0.75 0.00 0.00 64.21 64.01 3hqk n SER 26 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3hqk h GLY 27 N 1.61 0.46 1.05 0.46 0.00 -1.84 -2.44 103.07 102.38 3hqk h GLY 27 Ca -0.10 -0.16 -0.34 0.00 0.00 0.00 0.00 47.33 46.73 3hqk h GLY 27 CO 0.18 0.14 -1.66 -0.39 0.00 0.00 0.00 176.54 174.81 3hqk h VAL 28 N 0.40 1.04 0.00 4.60 -1.51 -1.91 -3.29 116.25 115.58 3hqk h VAL 28 Ca 0.17 -2.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.03 3hqk h VAL 28 Cb 0.16 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 3hqk h VAL 28 CO -0.04 0.84 -0.01 0.33 -1.23 0.00 0.00 177.57 177.47 3hqk n PHE 29 N -3.58 0.31 0.04 5.19 7.35 -1.17 -4.21 117.46 121.39 3hqk n PHE 29 Ca -0.22 0.09 -0.04 0.00 -0.76 0.00 0.00 57.45 56.52 3hqk n PHE 29 Cb 1.07 -0.64 -0.02 0.00 0.35 0.00 0.00 39.48 40.24 3hqk n PHE 29 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3hqk h LEU 30 N 0.00 -0.35 -0.68 -2.13 5.85 -1.51 -3.20 115.31 113.28 3hqk h LEU 30 Ca 0.00 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.01 3hqk h LEU 30 Cb 0.58 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 3hqk h LEU 30 CO 0.00 -0.13 0.27 0.00 -0.34 0.00 0.00 178.44 178.24 3hqk n LEU 31 N -3.10 0.15 -0.12 2.25 -0.00 -1.26 0.08 117.00 115.00 3hqk n LEU 31 Ca -0.02 1.13 -0.13 0.00 -0.00 0.00 0.00 56.01 56.99 3hqk n LEU 31 Cb 0.10 -0.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.98 3hqk n LEU 31 CO 0.04 -1.24 0.59 -0.65 -0.00 0.00 0.00 177.39 176.13 3hqk h PRO 32 N 0.00 0.88 0.00 1.47 0.11 -1.78 -2.83 132.00 129.85 3hqk h PRO 32 Ca 0.53 -0.44 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3hqk h PRO 32 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 3hqk h PRO 32 CO -0.55 1.09 -0.05 0.00 -0.21 0.00 0.00 178.00 178.28 3hqk h ALA 33 N 0.78 1.16 0.02 -0.75 0.00 -0.46 -3.12 119.26 116.90 3hqk h ALA 33 Ca 0.07 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.55 3hqk h ALA 33 Cb 0.89 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3hqk h ALA 33 CO 0.08 0.06 -2.20 0.27 0.00 0.00 0.00 179.25 177.46 3hqk n ASN 34 N -3.38 1.98 0.17 0.00 0.23 -1.18 -4.10 115.26 108.98 3hqk n ASN 34 Ca -0.02 0.17 0.19 0.00 -0.53 0.00 0.00 54.58 54.39 3hqk n ASN 34 Cb 0.18 -0.72 0.79 0.00 -2.08 0.00 0.00 39.78 37.95 3hqk n ASN 34 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3hqk h LEU 35 N -0.47 0.00 0.00 -4.53 -0.00 -1.56 0.90 115.31 109.64 3hqk h LEU 35 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 3hqk h LEU 35 Cb 1.74 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.40 3hqk h LEU 35 CO -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.26 3hqk n ALA 36 N -2.26 1.70 -1.61 0.17 0.00 -1.18 -3.23 120.51 114.10 3hqk n ALA 36 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hqk n ALA 36 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3hqk n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk n ALA 37 N -0.64 1.18 -3.36 0.00 0.00 0.31 -4.89 120.51 113.11 3hqk n ALA 37 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 3hqk n ALA 37 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3hqk n ALA 37 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hqk s THR 38 N 0.00 -0.50 0.14 0.00 -1.32 -1.18 -2.70 115.64 110.08 3hqk s THR 38 Ca 0.00 -0.38 -0.15 0.00 -1.21 0.00 0.00 61.69 59.95 3hqk s THR 38 Cb 0.00 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3hqk s THR 38 CO 0.00 -0.37 1.70 1.23 -2.21 0.00 0.00 174.62 174.97 3hqk h GLY 39 N 8.22 0.71 0.98 6.08 0.00 -1.77 1.85 103.07 119.14 3hqk h GLY 39 Ca -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3hqk h GLY 39 CO 0.30 0.36 0.14 -1.33 0.00 0.00 0.00 176.54 176.01 3hqk h GLY 40 N 0.58 0.86 -0.39 4.60 0.00 -1.90 -3.11 103.07 103.71 3hqk h GLY 40 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3hqk h GLY 40 CO -0.01 0.48 -0.36 0.29 0.00 0.00 0.00 176.54 176.94 3hqk n ILE 41 N -4.48 0.00 -0.26 2.60 -5.35 -1.16 -4.15 119.36 106.57 3hqk n ILE 41 Ca 0.02 -0.20 -0.06 0.00 -0.27 0.00 0.00 62.75 62.24 3hqk n ILE 41 Cb 0.21 0.82 0.05 0.00 -1.74 0.00 0.00 39.64 38.98 3hqk n ILE 41 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hqk h ALA 42 N 3.80 0.93 -0.70 -1.28 0.00 0.30 -2.41 119.26 119.90 3hqk h ALA 42 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3hqk h ALA 42 Cb 0.63 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hqk h ALA 42 CO 0.00 0.51 0.24 0.82 0.00 0.00 0.00 179.25 180.82 3hqk h ILE 43 N 1.01 1.25 -0.92 0.00 5.03 -1.72 -2.84 117.51 119.33 3hqk h ILE 43 Ca 0.25 -0.84 0.26 0.00 -0.12 0.00 0.00 64.86 64.40 3hqk h ILE 43 Cb 0.15 0.48 -0.16 0.00 -3.03 0.00 0.00 36.82 34.26 3hqk h ILE 43 CO -0.03 0.33 0.15 0.22 -0.68 0.00 0.00 178.15 178.15 3hqk h TYR 44 N 1.02 0.19 -0.97 1.37 5.03 -1.63 -3.24 116.97 118.74 3hqk h TYR 44 Ca 0.23 0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.64 3hqk h TYR 44 Cb 0.27 0.07 -0.21 0.00 1.55 0.00 0.00 36.73 38.41 3hqk h TYR 44 CO 0.02 -0.33 -0.35 0.20 -1.32 0.00 0.00 178.16 176.37 3hqk s GLY 45 N -4.13 -1.23 0.00 1.82 0.00 -1.08 -2.64 107.32 100.07 3hqk s GLY 45 Ca -0.12 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3hqk s GLY 45 CO 0.77 3.68 0.00 0.79 0.00 0.00 0.00 173.10 178.34 3hqk n TRP 46 N 5.41 0.00 -0.21 1.90 5.03 -1.20 -4.59 117.44 123.78 3hqk n TRP 46 Ca 0.05 0.00 -0.08 0.00 3.03 0.00 0.00 57.50 60.49 3hqk n TRP 46 Cb 0.54 0.00 0.02 0.00 -1.03 0.00 0.00 31.31 30.84 3hqk n TRP 46 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 3hqk h LEU 47 N 0.00 0.89 -0.68 -0.99 3.38 -1.53 -2.12 115.31 114.26 3hqk h LEU 47 Ca 0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3hqk h LEU 47 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3hqk h LEU 47 CO 0.00 0.88 0.17 0.58 0.09 0.00 0.00 178.44 180.17 3hqk h VAL 48 N 0.85 1.26 0.00 1.22 2.07 -1.81 -2.68 116.25 117.16 3hqk h VAL 48 Ca 0.19 -0.94 -0.17 0.00 0.82 0.00 0.00 66.70 66.59 3hqk h VAL 48 Cb 0.34 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3hqk h VAL 48 CO 0.00 0.36 -0.82 0.74 0.02 0.00 0.00 177.57 177.88 3hqk h THR 49 N 1.02 1.51 0.04 2.57 2.02 -1.81 -3.06 112.91 115.19 3hqk h THR 49 Ca 0.21 -2.87 -0.27 0.00 0.77 0.00 0.00 66.41 64.26 3hqk h THR 49 Cb 0.36 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 3hqk h THR 49 CO 0.00 0.80 -1.45 -0.29 0.37 0.00 0.00 175.52 174.95 3hqk h ILE 50 N 0.00 1.20 0.78 3.11 2.10 -1.39 -2.67 117.51 120.64 3hqk h ILE 50 Ca -0.01 -2.94 -0.04 0.00 1.08 0.00 0.00 64.86 62.95 3hqk h ILE 50 Cb 1.51 2.65 0.01 0.00 -1.09 0.00 0.00 36.82 39.90 3hqk h ILE 50 CO 0.11 0.75 -0.38 0.16 -1.08 0.00 0.00 178.15 177.71 3hqk h ILE 51 N 0.02 0.04 -0.74 2.19 3.07 -1.60 -0.36 117.51 120.14 3hqk h ILE 51 Ca -0.19 -0.21 0.16 0.00 1.55 0.00 0.00 64.86 66.17 3hqk h ILE 51 Cb 1.94 0.06 -0.13 0.00 -0.27 0.00 0.00 36.82 38.41 3hqk h ILE 51 CO 0.12 0.00 -0.08 1.23 -1.05 0.00 0.00 178.15 178.37 3hqk h GLY 52 N -1.25 0.70 1.80 0.16 0.00 -1.66 0.57 103.07 103.38 3hqk h GLY 52 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3hqk h GLY 52 CO 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.43 3hqk n ALA 53 N -3.06 2.35 0.05 3.60 0.00 -1.01 -1.39 120.51 121.05 3hqk n ALA 53 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3hqk n ALA 53 Cb 0.43 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 3hqk n ALA 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hqk h LEU 54 N 0.00 0.00 -0.10 0.00 5.85 0.19 -3.06 115.31 118.19 3hqk h LEU 54 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hqk h LEU 54 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hqk h LEU 54 CO 0.00 0.94 0.03 0.00 -0.34 0.00 0.00 178.44 179.07 3hqk h ALA 55 N 1.06 0.13 -0.67 1.25 0.00 0.27 -2.59 119.26 118.71 3hqk h ALA 55 Ca -0.07 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3hqk h ALA 55 Cb 1.78 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 3hqk h ALA 55 CO 0.11 -0.25 0.30 -0.07 0.00 0.00 0.00 179.25 179.34 3hqk h LEU 56 N -0.04 0.36 -1.33 0.00 3.38 -1.48 -0.28 115.31 115.92 3hqk h LEU 56 Ca 0.03 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3hqk h LEU 56 Cb 0.23 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3hqk h LEU 56 CO -0.00 0.21 0.49 0.77 0.09 0.00 0.00 178.44 180.00 3hqk h SER 57 N 0.52 0.73 0.12 -0.43 4.64 -1.42 -1.41 113.55 116.29 3hqk h SER 57 Ca 0.33 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3hqk h SER 57 Cb 0.38 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hqk h SER 57 CO -0.29 0.48 -0.06 0.24 -0.87 0.00 0.00 176.83 176.34 3hqk h MET 58 N 0.83 -0.15 -0.66 4.77 2.86 -0.69 -0.13 114.93 121.76 3hqk h MET 58 Ca 0.32 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.03 3hqk h MET 58 Cb 0.19 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.80 3hqk h MET 58 CO -0.10 -0.10 -0.38 0.28 1.06 0.00 0.00 176.91 177.66 3hqk n VAL 59 N -2.52 -0.44 -0.31 -2.22 0.31 -0.60 0.24 118.33 112.79 3hqk n VAL 59 Ca -0.02 1.60 -0.03 0.00 -0.01 0.00 0.00 64.34 65.88 3hqk n VAL 59 Cb 0.06 -1.98 0.09 0.00 -0.91 0.00 0.00 33.84 31.11 3hqk n VAL 59 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3hqk h TYR 60 N 0.00 1.03 -0.43 3.52 0.05 -1.33 0.62 116.97 120.44 3hqk h TYR 60 Ca 0.11 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 3hqk h TYR 60 Cb 0.28 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3hqk h TYR 60 CO -0.67 0.61 0.22 0.00 -1.05 0.00 0.00 178.16 177.27 3hqk h ALA 61 N 1.33 0.55 -0.27 3.88 0.00 0.52 -1.27 119.26 124.00 3hqk h ALA 61 Ca 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hqk h ALA 61 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hqk h ALA 61 CO -0.09 0.10 0.07 -0.22 0.00 0.00 0.00 179.25 179.10 3hqk h LYS 62 N 0.55 0.43 -0.64 0.00 1.63 0.85 -1.15 116.57 118.24 3hqk h LYS 62 Ca 0.15 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 3hqk h LYS 62 Cb 0.09 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3hqk h LYS 62 CO -0.02 0.51 0.11 1.98 -3.45 0.00 0.00 179.45 178.58 3hqk h MET 63 N 0.27 1.04 -0.73 1.90 4.05 -0.85 -2.43 114.93 118.17 3hqk h MET 63 Ca 0.08 -0.26 -0.04 0.00 -0.28 0.00 0.00 59.70 59.20 3hqk h MET 63 Cb 0.27 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3hqk h MET 63 CO 0.00 0.95 0.28 0.66 0.23 0.00 0.00 176.91 179.03 3hqk h SER 64 N 0.98 1.00 -0.64 1.39 4.64 -1.10 -2.27 113.55 117.55 3hqk h SER 64 Ca 0.20 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3hqk h SER 64 Cb 0.41 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3hqk h SER 64 CO 0.01 0.90 0.28 0.28 -0.87 0.00 0.00 176.83 177.42 3hqk h SER 65 N 1.06 0.86 -0.39 4.97 0.02 -0.74 -2.74 113.55 116.60 3hqk h SER 65 Ca 0.24 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3hqk h SER 65 Cb 0.21 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3hqk h SER 65 CO -0.02 0.77 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.37 3hqk h LEU 66 N 0.88 0.75 -6.12 5.07 4.07 -1.31 -3.42 115.31 115.23 3hqk h LEU 66 Ca 0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 3hqk h LEU 66 Cb 0.16 -0.20 -0.23 0.00 1.08 0.00 0.00 40.66 41.47 3hqk h LEU 66 CO -0.02 0.82 -0.37 -0.62 -1.08 0.00 0.00 178.44 177.16 3hqk s ASP 67 N -6.65 -0.95 -0.96 -0.43 2.15 -0.87 -5.02 116.67 103.94 3hqk s ASP 67 Ca -0.09 0.41 -0.04 0.00 0.43 0.00 0.00 52.55 53.26 3hqk s ASP 67 Cb 0.15 1.82 0.12 0.00 -0.30 0.00 0.00 42.92 44.70 3hqk s ASP 67 CO 0.81 -0.29 2.49 -0.81 -0.17 0.00 0.00 175.17 177.20 3hqk n PRO 68 N 5.41 3.75 -2.32 4.34 -0.04 -1.05 -4.36 135.00 140.74 3hqk n PRO 68 Ca 0.00 -3.11 -0.37 0.00 -0.04 0.00 0.00 63.50 59.99 3hqk n PRO 68 Cb 0.51 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 3hqk n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hqk s SER 69 N 0.22 6.36 1.09 3.54 0.15 -1.26 -4.84 113.70 118.96 3hqk s SER 69 Ca 0.55 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.47 3hqk s SER 69 Cb 0.27 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3hqk s SER 69 CO -0.16 -0.78 0.00 -2.65 1.20 0.00 0.00 173.24 170.85 3hqk n PRO 70 N -0.28 0.00 -1.06 5.44 -0.02 -1.26 -4.32 135.00 133.50 3hqk n PRO 70 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3hqk n PRO 70 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3hqk n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqk n GLY 71 N 0.00 0.38 0.00 -1.23 0.00 -1.23 -4.04 105.19 99.07 3hqk n GLY 71 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3hqk n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqk n GLY 72 N 0.00 -1.90 5.00 -0.02 0.00 -1.26 -3.23 105.19 103.78 3hqk n GLY 72 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3hqk n GLY 72 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hqk n SER 73 N 0.00 0.00 -0.22 1.61 2.88 -1.26 -4.12 113.62 112.51 3hqk n SER 73 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hqk n SER 73 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 3hqk n SER 73 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hqk h TYR 74 N 0.00 0.58 0.71 0.66 3.20 -1.89 -2.66 116.97 117.56 3hqk h TYR 74 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3hqk h TYR 74 Cb 0.00 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.11 3hqk h TYR 74 CO 0.00 0.23 -0.34 0.00 -1.64 0.00 0.00 178.16 176.41 3hqk h ALA 75 N 1.39 -0.95 -0.86 1.82 0.00 -1.87 -2.34 119.26 116.45 3hqk h ALA 75 Ca 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hqk h ALA 75 Cb 0.30 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3hqk h ALA 75 CO -0.24 -1.02 0.51 1.88 0.00 0.00 0.00 179.25 180.38 3hqk h TYR 76 N -0.98 1.13 -0.47 0.00 0.99 -1.86 -2.65 116.97 113.15 3hqk h TYR 76 Ca -0.10 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 3hqk h TYR 76 Cb 0.74 -0.37 -0.02 0.00 1.00 0.00 0.00 36.73 38.07 3hqk h TYR 76 CO -0.02 0.76 0.17 0.00 -0.00 0.00 0.00 178.16 179.07 3hqk h ALA 77 N 1.38 0.61 -0.43 3.88 0.00 -1.37 -0.31 119.26 123.02 3hqk h ALA 77 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hqk h ALA 77 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hqk h ALA 77 CO -0.06 0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.65 3hqk h ARG 78 N 0.62 0.61 -0.26 0.00 3.08 -1.08 1.66 114.38 119.01 3hqk h ARG 78 Ca 0.15 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3hqk h ARG 78 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3hqk h ARG 78 CO -0.01 0.51 0.05 0.00 -1.07 0.00 0.00 179.97 179.45 3hqk h ARG 79 N 0.55 0.42 -0.38 0.04 3.08 -1.45 1.52 114.38 118.16 3hqk h ARG 79 Ca 0.15 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3hqk h ARG 79 Cb 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3hqk h ARG 79 CO -0.02 0.53 -0.07 0.00 -1.07 0.00 0.00 179.97 179.34 3hqk n PHE 81 N -4.38 0.00 0.00 0.00 3.01 0.56 -4.97 117.46 111.68 3hqk n PHE 81 Ca -0.01 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.20 3hqk n PHE 81 Cb 0.34 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3hqk n PHE 81 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hqk n GLY 82 N -0.23 -0.53 0.32 1.37 0.00 0.52 -4.46 105.19 102.17 3hqk n GLY 82 Ca 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 3hqk n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqk h PRO 83 N 0.00 1.05 -0.85 1.61 0.13 -1.90 -2.05 132.00 129.99 3hqk h PRO 83 Ca 0.00 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 3hqk h PRO 83 Cb 0.00 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 30.95 3hqk h PRO 83 CO 0.00 0.93 0.50 0.35 -0.23 0.00 0.00 178.00 179.56 3hqk h PHE 84 N 0.99 1.12 -0.00 1.56 3.57 -1.95 0.11 116.94 122.34 3hqk h PHE 84 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hqk h PHE 84 Cb 0.37 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3hqk h PHE 84 CO 0.03 0.75 -0.36 1.28 -2.23 0.00 0.00 178.31 177.77 3hqk n LEU 85 N -4.36 0.68 0.08 0.59 4.77 -1.24 -2.95 117.00 114.56 3hqk n LEU 85 Ca 0.09 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3hqk n LEU 85 Cb 0.07 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 3hqk n LEU 85 CO 0.38 0.14 0.15 1.23 -1.33 0.00 0.00 177.39 177.96 3hqk h GLY 86 N 4.97 0.13 0.76 -0.72 0.00 -0.41 -3.27 103.07 104.52 3hqk h GLY 86 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3hqk h GLY 86 CO 0.00 0.26 -0.38 -1.82 0.00 0.00 0.00 176.54 174.60 3hqk h TYR 87 N 0.05 0.55 -0.30 5.60 5.03 -0.90 -3.20 116.97 123.80 3hqk h TYR 87 Ca -0.05 -0.24 -0.03 0.00 2.58 0.00 0.00 58.73 61.00 3hqk h TYR 87 Cb 1.71 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.89 3hqk h TYR 87 CO 0.02 0.99 0.09 0.37 -1.32 0.00 0.00 178.16 178.31 3hqk h GLN 88 N -0.05 0.47 -0.70 1.82 4.15 -1.67 -0.65 115.11 118.47 3hqk h GLN 88 Ca -0.02 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 3hqk h GLN 88 Cb 1.03 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3hqk h GLN 88 CO 0.08 0.53 0.29 1.79 -1.93 0.00 0.00 178.83 179.59 3hqk h THR 89 N 0.33 1.24 -0.54 2.39 1.35 -1.72 -0.92 112.91 115.04 3hqk h THR 89 Ca 0.10 -0.75 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 3hqk h THR 89 Cb 0.25 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 3hqk h THR 89 CO -0.00 0.30 0.28 -1.13 -0.25 0.00 0.00 175.52 174.73 3hqk h ASN 90 N 1.00 0.69 -0.57 5.36 -1.24 -1.49 -0.24 115.58 119.09 3hqk h ASN 90 Ca 0.24 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 3hqk h ASN 90 Cb 0.19 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 3hqk h ASN 90 CO -0.02 0.60 0.25 -0.37 -1.29 0.00 0.00 177.43 176.60 3hqk h VAL 91 N 0.73 1.22 -0.67 2.57 -1.51 -0.66 -0.15 116.25 117.77 3hqk h VAL 91 Ca 0.19 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3hqk h VAL 91 Cb 0.07 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 29.78 3hqk h VAL 91 CO -0.03 0.25 0.43 -0.07 -1.23 0.00 0.00 177.57 176.92 3hqk h LEU 92 N 0.77 0.80 -0.79 4.19 3.38 -0.76 -1.80 115.31 121.10 3hqk h LEU 92 Ca 0.19 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3hqk h LEU 92 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hqk h LEU 92 CO -0.02 0.60 -0.09 0.22 0.09 0.00 0.00 178.44 179.25 3hqk h TYR 93 N 0.92 0.90 -0.84 1.13 3.20 -0.63 0.44 116.97 122.08 3hqk h TYR 93 Ca 0.24 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3hqk h TYR 93 Cb -0.06 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 37.93 3hqk h TYR 93 CO -0.02 0.87 0.55 2.35 -1.64 0.00 0.00 178.16 180.27 3hqk h TRP 94 N 0.74 1.07 0.23 -3.82 7.01 -0.66 -0.07 115.95 120.45 3hqk h TRP 94 Ca 0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3hqk h TRP 94 Cb 0.58 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3hqk h TRP 94 CO 0.03 0.68 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.18 3hqk h LEU 95 N 1.15 -0.26 -1.76 0.65 3.38 -0.88 -3.04 115.31 114.55 3hqk h LEU 95 Ca 0.31 0.01 0.46 0.00 0.09 0.00 0.00 57.88 58.74 3hqk h LEU 95 Cb -0.12 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 3hqk h LEU 95 CO -0.07 -0.13 1.06 0.00 0.09 0.00 0.00 178.44 179.40 3hqk h ALA 96 N -1.75 3.23 -0.07 1.53 0.00 -0.09 -1.03 119.26 121.07 3hqk h ALA 96 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3hqk h ALA 96 Cb 0.23 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hqk h ALA 96 CO 0.05 -1.75 -0.18 0.00 0.00 0.00 0.00 179.25 177.37 3hqk n TRP 98 N -4.57 1.03 -0.33 0.00 4.27 -0.73 -3.46 117.44 113.65 3hqk n TRP 98 Ca -0.08 0.33 0.02 0.00 -3.89 0.00 0.00 57.50 53.88 3hqk n TRP 98 Cb 0.40 -1.12 0.20 0.00 -1.36 0.00 0.00 31.31 29.43 3hqk n TRP 98 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3hqk h ILE 99 N -0.53 1.12 -0.43 -1.67 2.04 -1.42 0.13 117.51 116.75 3hqk h ILE 99 Ca -0.41 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3hqk h ILE 99 Cb 1.64 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3hqk h ILE 99 CO -0.10 0.21 0.12 1.23 0.00 0.00 0.00 178.15 179.61 3hqk h GLY 100 N 1.13 0.67 1.80 5.37 0.00 -1.68 -2.86 103.07 107.51 3hqk h GLY 100 Ca 0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3hqk h GLY 100 CO -0.13 0.33 0.08 3.43 0.00 0.00 0.00 176.54 180.25 3hqk h ASN 101 N 0.61 0.23 -0.74 0.19 4.21 -0.77 -3.09 115.58 116.22 3hqk h ASN 101 Ca 0.14 -0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.68 3hqk h ASN 101 Cb 0.20 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.29 3hqk h ASN 101 CO -0.01 0.21 0.45 0.40 -1.29 0.00 0.00 177.43 177.19 3hqk h ILE 102 N 0.26 1.07 -0.29 2.81 2.04 -1.32 -1.42 117.51 120.66 3hqk h ILE 102 Ca 0.07 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3hqk h ILE 102 Cb 0.04 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3hqk h ILE 102 CO -0.01 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.30 3hqk n ALA 103 N -2.33 2.47 0.11 1.87 0.00 -1.17 -2.85 120.51 118.61 3hqk n ALA 103 Ca 0.09 -0.58 -0.19 0.00 0.00 0.00 0.00 53.44 52.75 3hqk n ALA 103 Cb 0.12 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 3hqk n ALA 103 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hqk h MET 104 N 2.07 0.36 -0.36 0.00 2.86 -1.27 -3.37 114.93 115.21 3hqk h MET 104 Ca 0.00 -0.62 -0.09 0.00 -2.06 0.00 0.00 59.70 56.94 3hqk h MET 104 Cb 0.47 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3hqk h MET 104 CO 0.00 1.27 -0.11 0.28 1.06 0.00 0.00 176.91 179.42 3hqk h VAL 105 N 0.10 1.28 -0.49 -2.22 2.07 -1.34 -2.31 116.25 113.34 3hqk h VAL 105 Ca -0.21 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3hqk h VAL 105 Cb 2.05 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 3hqk h VAL 105 CO 0.22 0.39 0.26 0.58 0.02 0.00 0.00 177.57 179.04 3hqk h VAL 106 N 0.51 1.18 -0.45 2.57 2.07 -1.75 0.09 116.25 120.47 3hqk h VAL 106 Ca 0.09 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3hqk h VAL 106 Cb 0.63 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3hqk h VAL 106 CO 0.04 0.19 -0.10 0.40 0.02 0.00 0.00 177.57 178.13 3hqk h ILE 107 N 0.65 1.26 -0.05 4.57 1.08 -1.72 0.82 117.51 124.11 3hqk h ILE 107 Ca 0.17 -1.16 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 3hqk h ILE 107 Cb 0.08 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3hqk h ILE 107 CO -0.03 0.40 -0.02 1.23 -0.69 0.00 0.00 178.15 179.04 3hqk h GLY 108 N 0.97 0.11 0.77 5.37 0.00 -1.06 -1.68 103.07 107.55 3hqk h GLY 108 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3hqk h GLY 108 CO 0.04 0.09 -0.21 -0.24 0.00 0.00 0.00 176.54 176.22 3hqk h VAL 109 N -0.27 0.55 -1.06 4.60 3.04 -0.93 -2.95 116.25 119.23 3hqk h VAL 109 Ca 0.01 0.00 0.34 0.00 -1.01 0.00 0.00 66.70 66.04 3hqk h VAL 109 Cb 0.44 0.55 -0.14 0.00 -2.01 0.00 0.00 31.29 30.13 3hqk h VAL 109 CO 0.01 0.00 0.63 1.23 -1.01 0.00 0.00 177.57 178.42 3hqk h GLY 110 N -0.46 1.86 0.67 3.17 0.00 0.88 0.92 103.07 110.12 3hqk h GLY 110 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hqk h GLY 110 CO -0.04 -0.45 0.00 -1.72 0.00 0.00 0.00 176.54 174.33 3hqk n TYR 111 N -4.95 0.00 -0.06 5.60 4.02 -0.65 -1.25 117.16 119.86 3hqk n TYR 111 Ca 0.32 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.09 3hqk n TYR 111 Cb 1.05 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.33 3hqk n TYR 111 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hqk n LEU 112 N -0.83 1.39 -1.22 7.72 4.77 0.32 -4.44 117.00 124.70 3hqk n LEU 112 Ca 0.12 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.38 3hqk n LEU 112 Cb 0.06 -0.54 0.24 0.00 -2.33 0.00 0.00 43.42 40.85 3hqk n LEU 112 CO 0.09 -0.01 0.66 -1.54 -1.33 0.00 0.00 177.39 175.26 3hqk n SER 113 N -3.91 3.54 -0.12 -1.43 3.41 -1.04 -0.29 113.62 113.78 3hqk n SER 113 Ca -0.22 -2.40 -0.21 0.00 -0.26 0.00 0.00 58.87 55.77 3hqk n SER 113 Cb 0.55 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 3hqk n SER 113 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hqk n TYR 114 N 0.55 0.00 1.33 7.33 4.01 -0.38 -4.44 117.16 125.57 3hqk n TYR 114 Ca 0.17 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.04 3hqk n TYR 114 Cb 0.71 -0.78 0.39 0.00 -0.31 0.00 0.00 39.34 39.35 3hqk n TYR 114 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hqk n PHE 115 N -4.34 0.00 0.00 -0.72 -0.00 -1.25 -4.51 117.46 106.64 3hqk n PHE 115 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.08 3hqk n PHE 115 Cb 0.73 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 40.18 3hqk n PHE 115 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3hqk n PHE 116 N 0.23 0.00 -5.06 -5.13 -0.00 0.60 -5.01 117.46 103.08 3hqk n PHE 116 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.32 3hqk n PHE 116 Cb 0.41 -0.09 -0.17 0.00 -0.00 0.00 0.00 39.48 39.63 3hqk n PHE 116 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3hqk s PRO 117 N -0.41 2.46 0.15 -7.13 0.04 -1.26 -5.04 135.00 123.81 3hqk s PRO 117 Ca 0.00 -0.76 -0.15 0.00 0.04 0.00 0.00 61.00 60.12 3hqk s PRO 117 Cb 0.00 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.58 3hqk s PRO 117 CO 0.00 0.23 1.78 0.82 0.04 0.00 0.00 177.00 179.87 3hqk h ILE 118 N 5.48 1.14 -2.27 0.56 2.04 -1.78 -3.46 117.51 119.23 3hqk h ILE 118 Ca -0.27 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 3hqk h ILE 118 Cb 1.20 0.57 -0.19 0.00 -0.74 0.00 0.00 36.82 37.66 3hqk h ILE 118 CO 0.47 0.15 0.07 -0.76 0.00 0.00 0.00 178.15 178.08 3hqk s LEU 119 N -10.04 -0.27 -0.43 1.44 1.43 -1.26 -5.06 118.68 104.49 3hqk s LEU 119 Ca -0.13 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 3hqk s LEU 119 Cb 0.11 2.20 0.25 0.00 0.03 0.00 0.00 46.19 48.79 3hqk s LEU 119 CO 0.74 -0.55 0.56 2.29 0.23 0.00 0.00 176.35 179.62 3hqk n LYS 120 N 1.09 1.04 -3.59 1.70 2.85 -1.26 -4.66 118.16 115.32 3hqk n LYS 120 Ca -0.19 -3.48 -0.13 0.00 -1.05 0.00 0.00 58.31 53.45 3hqk n LYS 120 Cb 0.57 -1.40 -0.05 0.00 -0.65 0.00 0.00 35.03 33.49 3hqk n LYS 120 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3hqk s ASP 121 N -1.42 -0.40 0.03 -5.58 1.47 -1.26 -5.09 116.67 104.42 3hqk s ASP 121 Ca 0.36 0.12 -0.30 0.00 1.18 0.00 0.00 52.55 53.91 3hqk s ASP 121 Cb 0.17 0.48 -0.08 0.00 -0.34 0.00 0.00 42.92 43.15 3hqk s ASP 121 CO -0.09 -0.72 1.72 -2.84 0.68 0.00 0.00 175.17 173.92 3hqk s PRO 122 N -2.53 4.18 0.00 2.11 0.02 -1.26 -2.14 135.00 135.38 3hqk s PRO 122 Ca -0.05 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3hqk s PRO 122 Cb -0.01 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.71 3hqk s PRO 122 CO -0.02 -0.81 0.00 1.28 -0.33 0.00 0.00 177.00 177.11 3hqk n LEU 123 N 6.37 -0.07 -0.14 -5.54 4.77 -1.26 -4.77 117.00 116.37 3hqk n LEU 123 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3hqk n LEU 123 Cb 0.41 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3hqk n LEU 123 CO 0.64 0.00 0.29 0.52 -1.33 0.00 0.00 177.39 177.50 3hqk n VAL 124 N -2.88 0.18 0.02 4.08 0.31 -0.91 -4.57 118.33 114.57 3hqk n VAL 124 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3hqk n VAL 124 Cb 0.03 0.76 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 3hqk n VAL 124 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3hqk n LEU 125 N -0.11 0.20 -0.19 7.52 0.00 -1.13 -4.69 117.00 118.60 3hqk n LEU 125 Ca 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 56.01 56.01 3hqk n LEU 125 Cb 0.54 -0.03 0.02 0.00 0.00 0.00 0.00 43.42 43.95 3hqk n LEU 125 CO 0.00 -0.33 0.92 0.71 0.00 0.00 0.00 177.39 178.68 3hqk h THR 126 N 0.00 1.24 -0.61 1.96 1.35 -1.85 -0.69 112.91 114.30 3hqk h THR 126 Ca 0.00 -0.84 -0.06 0.00 -0.55 0.00 0.00 66.41 64.96 3hqk h THR 126 Cb 0.49 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 3hqk h THR 126 CO 0.00 0.31 0.14 -0.07 -0.25 0.00 0.00 175.52 175.65 3hqk h LEU 127 N 0.77 0.94 -0.73 3.87 3.38 -1.89 -0.47 115.31 121.18 3hqk h LEU 127 Ca 0.17 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hqk h LEU 127 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hqk h LEU 127 CO -0.00 0.94 0.27 0.71 0.09 0.00 0.00 178.44 180.45 3hqk h THR 128 N 0.91 1.25 -0.67 0.22 1.35 -1.80 -0.81 112.91 113.36 3hqk h THR 128 Ca 0.19 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 3hqk h THR 128 Cb 0.37 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.18 3hqk h THR 128 CO 0.00 0.33 0.36 0.00 -0.25 0.00 0.00 175.52 175.96 3hqk h VAL 130 N 0.91 1.24 -0.69 0.00 2.07 -0.58 -0.22 116.25 118.97 3hqk h VAL 130 Ca 0.23 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3hqk h VAL 130 Cb 0.06 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3hqk h VAL 130 CO -0.04 0.29 0.31 0.00 0.02 0.00 0.00 177.57 178.15 3hqk h ALA 131 N 1.12 0.90 -0.80 1.67 0.00 -0.70 -1.07 119.26 120.38 3hqk h ALA 131 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hqk h ALA 131 Cb 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3hqk h ALA 131 CO -0.02 0.49 0.35 -0.24 0.00 0.00 0.00 179.25 179.83 3hqk h VAL 132 N 0.98 1.26 -0.53 0.00 3.04 -0.60 -0.88 116.25 119.51 3hqk h VAL 132 Ca 0.24 -0.77 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 3hqk h VAL 132 Cb 0.16 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 29.69 3hqk h VAL 132 CO -0.03 0.32 0.26 -0.07 -1.01 0.00 0.00 177.57 177.04 3hqk h LEU 133 N 1.14 0.69 -0.86 3.16 3.38 -0.53 -2.61 115.31 119.68 3hqk h LEU 133 Ca 0.27 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3hqk h LEU 133 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hqk h LEU 133 CO -0.03 0.62 0.09 -0.50 0.09 0.00 0.00 178.44 178.71 3hqk h TRP 134 N 0.71 0.98 -1.02 1.13 4.06 -0.76 0.16 115.95 121.22 3hqk h TRP 134 Ca 0.18 -0.12 0.28 0.00 2.06 0.00 0.00 58.89 61.29 3hqk h TRP 134 Cb 0.11 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 27.94 3hqk h TRP 134 CO -0.01 0.84 0.71 0.82 -3.56 0.00 0.00 178.44 177.24 3hqk h ILE 135 N 0.88 0.52 0.04 1.49 5.03 -0.79 0.16 117.51 124.84 3hqk h ILE 135 Ca 0.18 -0.05 -0.38 0.00 -0.12 0.00 0.00 64.86 64.50 3hqk h ILE 135 Cb 0.39 0.37 -0.05 0.00 -3.03 0.00 0.00 36.82 34.50 3hqk h ILE 135 CO 0.01 0.02 -2.31 0.49 -0.68 0.00 0.00 178.15 175.69 3hqk n PHE 136 N -4.35 0.40 0.02 1.37 3.72 -0.73 -2.86 117.46 115.04 3hqk n PHE 136 Ca 0.22 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 3hqk n PHE 136 Cb 1.00 -1.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 3hqk n PHE 136 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3hqk n VAL 137 N -3.28 0.77 -0.16 -4.37 3.14 0.48 -0.85 118.33 114.06 3hqk n VAL 137 Ca -0.40 0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3hqk n VAL 137 Cb 1.02 -1.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 3hqk n VAL 137 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3hqk n LEU 138 N -1.20 1.37 -0.00 6.55 4.77 0.43 -4.04 117.00 124.89 3hqk n LEU 138 Ca 0.00 -1.37 0.08 0.00 -0.03 0.00 0.00 56.01 54.69 3hqk n LEU 138 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 3hqk n LEU 138 CO 0.00 0.34 -0.37 0.18 -1.33 0.00 0.00 177.39 176.21 3hqk n LEU 139 N -0.27 0.40 -0.06 2.23 4.77 -0.03 -3.77 117.00 120.27 3hqk n LEU 139 Ca 0.00 -0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 55.65 3hqk n LEU 139 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 3hqk n LEU 139 CO 0.00 0.10 0.17 0.78 -1.33 0.00 0.00 177.39 177.11 3hqk h ASN 140 N 0.00 0.00 -2.92 -1.43 4.21 -1.71 -3.27 115.58 110.46 3hqk h ASN 140 Ca 0.00 -0.51 -0.71 0.00 1.21 0.00 0.00 56.30 56.29 3hqk h ASN 140 Cb 0.60 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.60 3hqk h ASN 140 CO 0.00 0.78 0.15 -0.51 -1.29 0.00 0.00 177.43 176.56 3hqk s ILE 141 N -1.92 4.86 0.03 2.81 2.07 -1.26 -0.42 121.20 127.36 3hqk s ILE 141 Ca -0.11 -1.11 0.06 0.00 -1.41 0.00 0.00 60.65 58.08 3hqk s ILE 141 Cb -0.01 -4.51 -0.02 0.00 0.13 0.00 0.00 42.46 38.05 3hqk s ILE 141 CO 0.37 -1.14 -0.17 -0.69 -1.91 0.00 0.00 174.94 171.40 3hqk s VAL 142 N 2.55 1.32 0.00 4.00 1.01 -1.25 -4.25 120.40 123.78 3hqk s VAL 142 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3hqk s VAL 142 Cb -0.22 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3hqk s VAL 142 CO 0.05 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3hqk n GLY 143 N 2.07 -0.09 0.45 4.51 0.00 0.44 -4.83 105.19 107.73 3hqk n GLY 143 Ca -0.17 -0.20 0.26 0.00 0.00 0.00 0.00 46.02 45.91 3hqk n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqk h PRO 144 N 0.00 0.21 -0.47 1.61 0.11 -1.79 1.01 132.00 132.68 3hqk h PRO 144 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3hqk h PRO 144 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3hqk h PRO 144 CO 0.00 0.14 -0.12 0.87 -0.21 0.00 0.00 178.00 178.68 3hqk h LYS 145 N 0.22 0.92 0.00 1.05 1.79 -1.94 -3.22 116.57 115.39 3hqk h LYS 145 Ca 0.53 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3hqk h LYS 145 Cb 1.68 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.28 3hqk h LYS 145 CO -0.15 1.01 -0.00 1.98 -1.08 0.00 0.00 179.45 181.21 3hqk h MET 146 N 0.77 -0.00 -0.83 3.15 4.05 0.72 -0.54 114.93 122.24 3hqk h MET 146 Ca 0.12 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.64 3hqk h MET 146 Cb 0.67 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.40 3hqk h MET 146 CO 0.05 -0.00 0.47 -0.84 0.23 0.00 0.00 176.91 176.82 3hqk h ILE 147 N -0.00 0.90 -0.60 1.77 3.07 -1.21 0.18 117.51 121.61 3hqk h ILE 147 Ca -0.00 -0.27 -0.04 0.00 1.55 0.00 0.00 64.86 66.10 3hqk h ILE 147 Cb 0.00 0.05 -0.03 0.00 -0.27 0.00 0.00 36.82 36.58 3hqk h ILE 147 CO -0.00 0.14 0.22 0.71 -1.05 0.00 0.00 178.15 178.17 3hqk h THR 148 N 0.79 1.24 -0.76 0.16 1.35 -1.56 -2.15 112.91 111.98 3hqk h THR 148 Ca 0.40 -0.77 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3hqk h THR 148 Cb 0.37 0.61 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 3hqk h THR 148 CO -0.25 0.29 0.40 0.03 -0.25 0.00 0.00 175.52 175.75 3hqk h ARG 149 N 0.84 1.06 -0.43 4.72 3.08 0.62 -3.08 114.38 121.19 3hqk h ARG 149 Ca 0.20 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3hqk h ARG 149 Cb 0.24 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hqk h ARG 149 CO -0.01 0.78 0.20 0.28 -1.07 0.00 0.00 179.97 180.15 3hqk h VAL 150 N 1.06 1.18 -1.95 2.04 2.07 -0.19 -1.29 116.25 119.18 3hqk h VAL 150 Ca 0.27 -0.53 -0.52 0.00 0.82 0.00 0.00 66.70 66.74 3hqk h VAL 150 Cb 0.04 0.74 -0.39 0.00 -1.52 0.00 0.00 31.29 30.16 3hqk h VAL 150 CO -0.04 0.20 -1.13 0.00 0.02 0.00 0.00 177.57 176.62 3hqk n GLN 151 N -4.65 0.82 0.00 1.57 0.00 -0.86 0.76 117.38 115.03 3hqk n GLN 151 Ca 0.01 -3.25 0.00 0.00 0.00 0.00 0.00 57.00 53.76 3hqk n GLN 151 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.94 3hqk n GLN 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hqk n ALA 152 N 0.93 0.00 -0.47 2.61 0.00 -1.19 -4.48 120.51 117.91 3hqk n ALA 152 Ca 0.22 0.00 0.39 0.00 0.00 0.00 0.00 53.44 54.05 3hqk n ALA 152 Cb 0.59 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.67 3hqk n ALA 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqk n VAL 153 N 0.00 -0.17 1.76 0.00 0.31 3.95 0.68 118.33 124.87 3hqk n VAL 153 Ca 0.00 1.54 0.15 0.00 -0.01 0.00 0.00 64.34 66.02 3hqk n VAL 153 Cb 0.00 -2.54 0.74 0.00 -0.91 0.00 0.00 33.84 31.13 3hqk n VAL 153 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hqk n ALA 154 N -2.60 2.63 0.16 3.52 0.00 0.21 -3.67 120.51 120.75 3hqk n ALA 154 Ca 0.37 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.55 3hqk n ALA 154 Cb 1.50 -1.35 0.50 0.00 0.00 0.00 0.00 19.45 20.11 3hqk n ALA 154 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hqk h THR 155 N 1.07 1.09 -0.13 0.00 1.35 2.21 -2.24 112.91 116.26 3hqk h THR 155 Ca 0.00 -0.34 0.04 0.00 -0.55 0.00 0.00 66.41 65.56 3hqk h THR 155 Cb 0.23 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3hqk h THR 155 CO 0.00 0.11 0.13 1.62 -0.25 0.00 0.00 175.52 177.13 3hqk h VAL 156 N 0.19 0.57 -0.57 6.82 3.04 -1.68 -0.09 116.25 124.54 3hqk h VAL 156 Ca 0.05 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.78 3hqk h VAL 156 Cb 0.13 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 30.27 3hqk h VAL 156 CO 0.00 0.00 0.38 0.25 -1.01 0.00 0.00 177.57 177.19 3hqk h LEU 157 N 0.00 0.52 -1.79 3.16 5.85 -1.56 0.76 115.31 122.25 3hqk h LEU 157 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hqk h LEU 157 Cb 0.32 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hqk h LEU 157 CO -0.00 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 178.45 3hqk h ALA 158 N 1.68 1.00 -0.55 1.25 0.00 -1.19 -2.72 119.26 118.72 3hqk h ALA 158 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3hqk h ALA 158 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hqk h ALA 158 CO -0.07 0.00 0.37 1.25 0.00 0.00 0.00 179.25 180.80 3hqk h LEU 159 N 0.00 0.61 -0.94 0.00 5.85 0.47 -2.93 115.31 118.37 3hqk h LEU 159 Ca 0.00 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hqk h LEU 159 Cb 0.27 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3hqk h LEU 159 CO 0.00 0.44 0.62 0.58 -0.34 0.00 0.00 178.44 179.74 3hqk h VAL 160 N 0.72 1.19 -0.72 1.05 2.07 -1.58 -2.66 116.25 116.33 3hqk h VAL 160 Ca 0.21 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3hqk h VAL 160 Cb -0.04 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.56 3hqk h VAL 160 CO -0.05 0.22 0.20 -0.65 0.02 0.00 0.00 177.57 177.32 3hqk h PRO 161 N 1.22 1.13 -0.22 1.57 0.11 -1.73 -2.09 132.00 131.99 3hqk h PRO 161 Ca 0.37 -0.26 0.06 0.00 0.11 0.00 0.00 66.00 66.28 3hqk h PRO 161 Cb -0.05 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 30.83 3hqk h PRO 161 CO -0.11 0.98 -0.33 0.82 -0.21 0.00 0.00 178.00 179.15 3hqk h ILE 162 N 1.07 0.25 -0.35 4.15 2.04 -1.54 0.17 117.51 123.31 3hqk h ILE 162 Ca 0.23 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 3hqk h ILE 162 Cb 0.34 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3hqk h ILE 162 CO -0.00 0.00 0.12 1.62 0.00 0.00 0.00 178.15 179.89 3hqk h VAL 163 N -0.35 1.15 0.00 1.67 3.04 -1.46 3.96 116.25 124.25 3hqk h VAL 163 Ca 0.12 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3hqk h VAL 163 Cb 0.55 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3hqk h VAL 163 CO -0.42 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 176.93 3hqk n GLY 164 N -1.17 -0.66 2.00 3.17 0.00 0.37 -2.33 105.19 106.57 3hqk n GLY 164 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hqk n GLY 164 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hqk n ILE 165 N -0.62 0.00 1.31 -0.61 5.41 0.77 -4.66 119.36 120.96 3hqk n ILE 165 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.88 3hqk n ILE 165 Cb 0.02 -0.49 0.56 0.00 -0.71 0.00 0.00 39.64 39.01 3hqk n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hqk n ALA 166 N -2.56 2.27 -3.15 -1.39 0.00 1.28 -3.47 120.51 113.48 3hqk n ALA 166 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 3hqk n ALA 166 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 3hqk n ALA 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqk n VAL 167 N -0.95 -0.20 -4.99 0.00 0.31 -0.98 -4.97 118.33 106.54 3hqk n VAL 167 Ca 0.14 -4.28 -0.32 0.00 -0.01 0.00 0.00 64.34 59.87 3hqk n VAL 167 Cb 0.06 -0.26 -0.15 0.00 -0.91 0.00 0.00 33.84 32.58 3hqk n VAL 167 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3hqk s PHE 168 N -2.09 2.67 0.15 3.52 -0.71 -1.23 -4.69 117.98 115.61 3hqk s PHE 168 Ca 0.38 -0.74 -0.11 0.00 -1.04 0.00 0.00 56.93 55.43 3hqk s PHE 168 Cb 0.33 -1.75 0.00 0.00 -1.21 0.00 0.00 43.02 40.39 3hqk s PHE 168 CO -0.08 -0.24 0.30 0.20 -1.34 0.00 0.00 175.22 174.06 3hqk s GLY 169 N 0.18 0.26 -0.14 1.99 0.00 -1.26 -4.87 107.32 103.49 3hqk s GLY 169 Ca -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 43.95 3hqk s GLY 169 CO 0.06 -0.71 -0.16 0.66 0.00 0.00 0.00 173.10 172.95 3hqk s TRP 170 N -3.92 2.19 0.28 1.90 -2.14 -1.26 -3.76 118.94 112.23 3hqk s TRP 170 Ca 0.12 -1.17 -0.30 0.00 2.66 0.00 0.00 56.10 57.42 3hqk s TRP 170 Cb 0.03 -1.58 -0.10 0.00 -3.10 0.00 0.00 33.47 28.71 3hqk s TRP 170 CO -0.04 -0.61 1.44 0.12 -2.66 0.00 0.00 176.95 175.20 3hqk s PHE 171 N 1.26 2.95 0.09 1.66 2.19 -1.26 -4.35 117.98 120.51 3hqk s PHE 171 Ca 0.00 1.08 0.01 0.00 0.33 0.00 0.00 56.93 58.35 3hqk s PHE 171 Cb -0.14 -3.85 -0.04 0.00 -1.31 0.00 0.00 43.02 37.69 3hqk s PHE 171 CO -0.07 -2.67 -0.06 1.67 1.83 0.00 0.00 175.22 175.92 3hqk s TRP 172 N -0.31 0.82 -0.97 10.12 -2.14 -1.26 -5.03 118.94 120.17 3hqk s TRP 172 Ca 0.57 -0.93 -0.25 0.00 2.66 0.00 0.00 56.10 58.16 3hqk s TRP 172 Cb -0.43 -0.49 -0.09 0.00 -3.10 0.00 0.00 33.47 29.36 3hqk s TRP 172 CO 0.47 -0.19 2.04 -0.06 -2.66 0.00 0.00 176.95 176.56 3hqk s PHE 173 N -3.61 1.67 0.00 1.66 0.40 -1.26 -4.66 117.98 112.17 3hqk s PHE 173 Ca 0.10 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 3hqk s PHE 173 Cb 0.05 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.73 3hqk s PHE 173 CO -0.05 -1.48 0.00 0.36 0.70 0.00 0.00 175.22 174.75 3hqk n LYS 174 N 8.64 2.51 -3.08 0.44 2.85 -1.26 -5.10 118.16 123.16 3hqk n LYS 174 Ca 0.43 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.50 3hqk n LYS 174 Cb 0.46 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.81 3hqk n LYS 174 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 3hqk n TRP 182 N 0.00 -0.88 -3.84 5.58 2.14 -1.26 -4.89 117.44 114.29 3hqk n TRP 182 Ca 0.00 -3.24 -0.36 0.00 2.07 0.00 0.00 57.50 55.97 3hqk n TRP 182 Cb 0.00 0.09 -0.13 0.00 -0.81 0.00 0.00 31.31 30.46 3hqk n TRP 182 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 3hqk s ASN 183 N -1.61 4.92 0.25 -0.67 -0.87 -1.26 -4.88 114.94 110.82 3hqk s ASN 183 Ca 0.35 -0.24 -0.16 0.00 -1.57 0.00 0.00 52.86 51.24 3hqk s ASN 183 Cb 0.24 -1.87 0.01 0.00 -0.02 0.00 0.00 41.25 39.61 3hqk s ASN 183 CO -0.12 -0.01 0.56 0.54 -2.57 0.00 0.00 177.10 175.50 3hqk s VAL 184 N 1.47 0.00 0.20 1.60 0.11 -1.10 -4.49 120.40 118.19 3hqk s VAL 184 Ca 0.05 -1.18 -0.33 0.00 -2.93 0.00 0.00 61.98 57.59 3hqk s VAL 184 Cb -0.15 -2.04 -0.14 0.00 -1.53 0.00 0.00 36.38 32.52 3hqk s VAL 184 CO 0.02 -0.02 1.44 -0.24 -3.33 0.00 0.00 175.10 172.96 3hqk n SER 185 N -0.40 2.65 -4.04 3.54 2.88 -1.26 -4.75 113.62 112.23 3hqk n SER 185 Ca -0.04 1.12 -0.43 0.00 -1.33 0.00 0.00 58.87 58.20 3hqk n SER 185 Cb 0.61 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3hqk n SER 185 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hqk n GLY 186 N 2.57 4.06 3.80 0.46 0.00 -1.26 -4.77 105.19 110.06 3hqk n GLY 186 Ca 0.14 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 3hqk n GLY 186 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hqk s MET 187 N 2.09 3.19 1.02 1.61 -1.94 -1.26 -4.96 119.30 119.04 3hqk s MET 187 Ca 0.45 1.23 -0.16 0.00 -1.71 0.00 0.00 55.69 55.50 3hqk s MET 187 Cb 0.08 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.95 3hqk s MET 187 CO -0.01 -0.92 0.11 0.09 -0.01 0.00 0.00 175.02 174.28 3hqk n ASN 188 N -2.17 -2.49 -0.02 3.03 3.02 -1.26 -3.61 115.26 111.75 3hqk n ASN 188 Ca 0.09 0.15 0.23 0.00 -0.03 0.00 0.00 54.58 55.02 3hqk n ASN 188 Cb 0.53 -1.06 0.61 0.00 -0.61 0.00 0.00 39.78 39.25 3hqk n ASN 188 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hqk h THR 189 N -1.69 0.19 0.00 3.41 1.35 -1.99 2.30 112.91 116.49 3hqk h THR 189 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3hqk h THR 189 Cb 1.31 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3hqk h THR 189 CO 0.34 0.00 -0.05 -0.26 -0.25 0.00 0.00 175.52 175.31 3hqk h PHE 190 N 0.00 0.00 0.11 4.73 0.04 -2.00 -2.12 116.94 117.70 3hqk h PHE 190 Ca 0.31 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.73 3hqk h PHE 190 Cb 1.85 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.98 3hqk h PHE 190 CO 0.00 0.00 -1.88 0.78 -0.60 0.00 0.00 178.31 176.61 3hqk h GLY 191 N 4.34 0.27 1.24 -1.45 0.00 0.36 -3.22 103.07 104.61 3hqk h GLY 191 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 3hqk h GLY 191 CO 0.00 0.61 0.12 0.00 0.00 0.00 0.00 176.54 177.27 3hqk h ALA 192 N 0.27 1.09 0.00 3.60 0.00 -1.04 -2.99 119.26 120.19 3hqk h ALA 192 Ca -0.38 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 3hqk h ALA 192 Cb 2.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 3hqk h ALA 192 CO 0.11 0.60 -0.88 0.82 0.00 0.00 0.00 179.25 179.90 3hqk h ILE 193 N 0.90 1.00 -0.19 0.00 1.08 -1.54 -3.23 117.51 115.52 3hqk h ILE 193 Ca 0.19 -2.51 -0.06 0.00 -0.39 0.00 0.00 64.86 62.10 3hqk h ILE 193 Cb 0.36 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 3hqk h ILE 193 CO 0.00 0.57 -0.13 1.56 -0.69 0.00 0.00 178.15 179.47 3hqk h GLN 194 N 0.00 0.31 0.00 2.37 4.20 -1.54 -2.09 115.11 118.37 3hqk h GLN 194 Ca -0.05 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3hqk h GLN 194 Cb 1.56 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.30 3hqk h GLN 194 CO 0.08 0.45 -0.29 0.66 -0.67 0.00 0.00 178.83 179.06 3hqk h SER 195 N 0.30 0.00 -0.03 1.46 4.64 -1.60 -3.19 113.55 115.13 3hqk h SER 195 Ca 0.06 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.19 3hqk h SER 195 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hqk h SER 195 CO 0.02 0.00 -0.61 0.74 -0.87 0.00 0.00 176.83 176.11 3hqk h THR 196 N 0.00 1.31 -0.69 2.95 2.02 -1.42 -3.26 112.91 113.81 3hqk h THR 196 Ca 0.00 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 3hqk h THR 196 Cb 0.99 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 3hqk h THR 196 CO 0.00 0.58 0.41 -0.07 0.37 0.00 0.00 175.52 176.81 3hqk h LEU 197 N 0.48 0.83 -0.68 2.58 3.38 -1.38 -2.58 115.31 117.94 3hqk h LEU 197 Ca -0.01 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hqk h LEU 197 Cb 1.19 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 3hqk h LEU 197 CO 0.12 0.64 0.40 0.78 0.09 0.00 0.00 178.44 180.47 3hqk h ASN 198 N 0.96 0.63 -0.23 -0.43 2.35 -1.62 0.63 115.58 117.87 3hqk h ASN 198 Ca 0.25 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3hqk h ASN 198 Cb -0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3hqk h ASN 198 CO -0.05 0.42 -0.08 0.58 -1.65 0.00 0.00 177.43 176.66 3hqk h VAL 199 N 0.76 1.29 -0.26 2.81 2.07 -1.69 -3.34 116.25 117.90 3hqk h VAL 199 Ca 0.29 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3hqk h VAL 199 Cb 0.11 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3hqk h VAL 199 CO -0.15 0.34 -0.04 0.00 0.02 0.00 0.00 177.57 177.74 3hqk h THR 200 N 0.17 1.28 0.06 2.57 1.03 -1.02 -3.22 112.91 113.77 3hqk h THR 200 Ca 0.05 -1.02 0.03 0.00 -0.01 0.00 0.00 66.41 65.46 3hqk h THR 200 Cb 0.55 1.43 -0.05 0.00 -1.07 0.00 0.00 68.15 69.01 3hqk h THR 200 CO 0.03 0.32 -0.35 -0.07 -0.01 0.00 0.00 175.52 175.44 3hqk h LEU 201 N 0.24 -1.04 -2.88 0.00 3.38 -1.04 -2.51 115.31 111.46 3hqk h LEU 201 Ca 0.07 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hqk h LEU 201 Cb 0.50 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hqk h LEU 201 CO 0.02 -0.42 0.01 -0.50 0.09 0.00 0.00 178.44 177.64 3hqk h TRP 202 N -0.54 0.00 -0.82 1.13 4.06 -1.68 -3.11 115.95 114.99 3hqk h TRP 202 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3hqk h TRP 202 Cb 0.60 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.72 3hqk h TRP 202 CO -0.34 0.00 0.51 0.66 -3.56 0.00 0.00 178.44 175.71 3hqk h SER 203 N 0.00 0.97 -0.19 -3.49 4.64 -1.45 -2.71 113.55 111.31 3hqk h SER 203 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hqk h SER 203 Cb 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3hqk h SER 203 CO -0.00 0.73 0.00 0.49 -0.87 0.00 0.00 176.83 177.18 3hqk n PHE 204 N -4.39 0.24 -0.21 4.77 3.72 -1.17 -4.45 117.46 115.97 3hqk n PHE 204 Ca 0.09 -0.12 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 3hqk n PHE 204 Cb 0.05 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3hqk n PHE 204 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3hqk h ILE 205 N 2.47 1.15 -0.56 4.37 1.08 -1.62 -3.29 117.51 121.10 3hqk h ILE 205 Ca 0.00 -0.28 -0.09 0.00 -0.39 0.00 0.00 64.86 64.11 3hqk h ILE 205 Cb 0.54 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3hqk h ILE 205 CO 0.00 0.15 0.01 1.23 -0.69 0.00 0.00 178.15 178.85 3hqk h GLY 206 N 0.80 1.06 1.02 5.37 0.00 -1.80 -3.39 103.07 106.14 3hqk h GLY 206 Ca 0.22 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3hqk h GLY 206 CO -0.05 0.71 0.28 -0.39 0.00 0.00 0.00 176.54 177.09 3hqk h VAL 207 N 0.87 1.25 -0.71 4.60 -1.51 -1.70 -3.36 116.25 115.69 3hqk h VAL 207 Ca 0.16 -0.77 -0.03 0.00 -1.23 0.00 0.00 66.70 64.83 3hqk h VAL 207 Cb 0.52 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 30.10 3hqk h VAL 207 CO 0.03 0.31 0.33 -0.33 -1.23 0.00 0.00 177.57 176.68 3hqk h GLU 208 N 0.99 1.04 -0.49 5.19 5.08 -1.75 -3.27 114.58 121.37 3hqk h GLU 208 Ca 0.23 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3hqk h GLU 208 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hqk h GLU 208 CO -0.02 0.82 0.13 0.66 -1.00 0.00 0.00 179.01 179.60 3hqk h SER 209 N 1.00 0.67 -0.77 1.42 4.64 -1.81 -3.34 113.55 115.36 3hqk h SER 209 Ca 0.24 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hqk h SER 209 Cb 0.13 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 3hqk h SER 209 CO -0.03 0.66 0.50 0.00 -0.87 0.00 0.00 176.83 177.09 3hqk h ALA 210 N 1.43 0.98 -0.74 5.18 0.00 -1.73 -0.36 119.26 124.02 3hqk h ALA 210 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hqk h ALA 210 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hqk h ALA 210 CO -0.00 0.42 0.28 0.66 0.00 0.00 0.00 179.25 180.60 3hqk h SER 211 N 1.05 1.03 0.48 0.00 4.64 -1.75 -2.14 113.55 116.86 3hqk h SER 211 Ca 0.28 -0.18 -0.30 0.00 -0.47 0.00 0.00 61.79 61.12 3hqk h SER 211 Cb -0.09 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.73 3hqk h SER 211 CO -0.06 0.93 -1.45 0.58 -0.87 0.00 0.00 176.83 175.96 3hqk h VAL 212 N 1.07 1.26 0.00 0.95 2.07 -1.74 -3.21 116.25 116.65 3hqk h VAL 212 Ca 0.24 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.91 3hqk h VAL 212 Cb 0.23 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3hqk h VAL 212 CO -0.02 0.84 0.00 0.00 0.02 0.00 0.00 177.57 178.41 3hqk n ALA 213 N -2.64 1.77 0.05 1.67 0.00 -0.15 -3.63 120.51 117.59 3hqk n ALA 213 Ca -0.14 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3hqk n ALA 213 Cb 1.04 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 3hqk n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 214 N 2.35 -0.93 0.00 0.00 0.00 -1.38 -3.27 119.26 116.03 3hqk h ALA 214 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hqk h ALA 214 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hqk h ALA 214 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 178.74 3hqk n GLY 215 N -0.76 0.37 2.36 0.00 0.00 -1.24 -4.29 105.19 101.64 3hqk n GLY 215 Ca -0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3hqk n GLY 215 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hqk n VAL 216 N 0.00 4.54 1.36 1.61 0.24 -1.26 -4.00 118.33 120.83 3hqk n VAL 216 Ca 0.00 -3.15 0.13 0.00 -2.04 0.00 0.00 64.34 59.29 3hqk n VAL 216 Cb 0.00 -2.35 0.41 0.00 -1.47 0.00 0.00 33.84 30.43 3hqk n VAL 216 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hqk n VAL 217 N 2.76 0.00 -2.98 3.34 0.31 -1.26 -4.85 118.33 115.65 3hqk n VAL 217 Ca 0.70 -0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 64.52 3hqk n VAL 217 Cb 0.29 0.70 0.03 0.00 -0.91 0.00 0.00 33.84 33.95 3hqk n VAL 217 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hqk n LYS 218 N 0.30 -4.51 -3.91 5.55 5.02 -1.26 -4.49 118.16 114.86 3hqk n LYS 218 Ca 0.17 0.90 -0.10 0.00 -2.02 0.00 0.00 58.31 57.26 3hqk n LYS 218 Cb 0.40 -5.74 -0.10 0.00 -0.02 0.00 0.00 35.03 29.58 3hqk n LYS 218 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hqk s ASN 219 N -2.64 0.13 0.00 4.39 0.02 -1.26 -4.93 114.94 110.65 3hqk s ASN 219 Ca 0.28 -0.40 0.00 0.00 -1.02 0.00 0.00 52.86 51.72 3hqk s ASN 219 Cb -0.12 0.20 0.00 0.00 0.02 0.00 0.00 41.25 41.34 3hqk s ASN 219 CO 0.34 -0.42 0.00 -2.65 0.02 0.00 0.00 177.10 174.39 3hqk n PRO 220 N 1.16 2.78 -1.63 -0.60 -0.02 -1.26 -4.87 135.00 130.55 3hqk n PRO 220 Ca -0.21 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.15 3hqk n PRO 220 Cb 0.57 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 34.13 3hqk n PRO 220 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hqk n LYS 221 N 0.00 2.72 -0.10 -0.52 2.85 -1.26 -4.44 118.16 117.41 3hqk n LYS 221 Ca 0.00 -3.78 -0.20 0.00 -1.05 0.00 0.00 58.31 53.28 3hqk n LYS 221 Cb 0.00 -1.94 -0.07 0.00 -0.65 0.00 0.00 35.03 32.37 3hqk n LYS 221 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hqk n ARG 222 N -0.78 0.45 0.16 -1.58 5.12 -1.26 -4.65 116.66 114.12 3hqk n ARG 222 Ca 0.32 0.20 -0.14 0.00 -1.93 0.00 0.00 57.85 56.30 3hqk n ARG 222 Cb 0.88 -1.26 -0.07 0.00 -1.16 0.00 0.00 32.46 30.85 3hqk n ARG 222 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3hqk h ASN 223 N -0.78 -0.79 -0.61 0.55 -0.26 -1.91 -2.90 115.58 108.89 3hqk h ASN 223 Ca -0.44 0.08 0.11 0.00 -0.56 0.00 0.00 56.30 55.49 3hqk h ASN 223 Cb 1.34 0.28 -0.12 0.00 -1.06 0.00 0.00 38.32 38.76 3hqk h ASN 223 CO -0.27 -0.40 -0.33 0.58 -1.06 0.00 0.00 177.43 175.96 3hqk h VAL 224 N -0.57 0.17 0.00 2.81 2.07 -1.87 0.91 116.25 119.77 3hqk h VAL 224 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hqk h VAL 224 Cb 0.55 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hqk h VAL 224 CO -0.10 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 176.84 3hqk h PRO 225 N -0.15 0.00 0.13 1.57 0.11 -1.79 0.96 132.00 132.83 3hqk h PRO 225 Ca 0.24 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 3hqk h PRO 225 Cb 0.55 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.67 3hqk h PRO 225 CO -0.69 0.00 -0.94 0.82 -0.21 0.00 0.00 178.00 176.98 3hqk h ILE 226 N 0.00 1.40 -0.26 4.15 2.04 -0.77 -3.13 117.51 120.93 3hqk h ILE 226 Ca 0.00 -2.49 0.03 0.00 1.00 0.00 0.00 64.86 63.40 3hqk h ILE 226 Cb 0.47 3.07 -0.03 0.00 -0.74 0.00 0.00 36.82 39.59 3hqk h ILE 226 CO 0.00 0.70 0.06 0.00 0.00 0.00 0.00 178.15 178.91 3hqk h ALA 227 N 0.03 0.27 0.00 1.87 0.00 -0.69 1.86 119.26 122.60 3hqk h ALA 227 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hqk h ALA 227 Cb 1.64 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3hqk h ALA 227 CO 0.12 -0.36 0.00 -2.37 0.00 0.00 0.00 179.25 176.64 3hqk n THR 228 N -5.08 0.00 0.00 0.00 5.66 0.33 -1.19 114.28 114.00 3hqk n THR 228 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3hqk n THR 228 Cb 0.11 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 3hqk n THR 228 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3hqk n ILE 229 N -0.67 0.00 0.19 1.09 2.08 -1.01 -4.66 119.36 116.38 3hqk n ILE 229 Ca 0.04 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.25 3hqk n ILE 229 Cb 0.02 0.11 -0.06 0.00 -0.75 0.00 0.00 39.64 38.97 3hqk n ILE 229 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3hqk h GLY 230 N 0.00 -0.58 -0.02 7.39 0.00 0.44 -1.72 103.07 108.58 3hqk h GLY 230 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.56 3hqk h GLY 230 CO 0.00 -0.21 -0.37 -1.33 0.00 0.00 0.00 176.54 174.63 3hqk h GLY 231 N -1.08 -1.22 -0.01 4.60 0.00 -1.33 0.38 103.07 104.41 3hqk h GLY 231 Ca -0.06 0.65 0.19 0.00 0.00 0.00 0.00 47.33 48.12 3hqk h GLY 231 CO 0.09 -0.33 0.45 -2.08 0.00 0.00 0.00 176.54 174.68 3hqk h VAL 232 N -0.45 0.60 -0.25 4.60 2.07 -1.77 0.29 116.25 121.33 3hqk h VAL 232 Ca 0.01 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3hqk h VAL 232 Cb 0.49 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3hqk h VAL 232 CO -0.26 0.10 -0.04 -0.07 0.02 0.00 0.00 177.57 177.33 3hqk h LEU 233 N 0.54 0.47 0.05 2.57 3.38 -0.87 -1.79 115.31 119.66 3hqk h LEU 233 Ca 0.53 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hqk h LEU 233 Cb 0.91 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hqk h LEU 233 CO -0.45 0.71 -0.06 0.40 0.09 0.00 0.00 178.44 179.12 3hqk h ILE 234 N 0.23 0.00 0.00 1.22 2.04 0.14 -2.78 117.51 118.36 3hqk h ILE 234 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hqk h ILE 234 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3hqk h ILE 234 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 3hqk n ALA 235 N -2.36 1.89 0.04 1.87 0.00 0.85 -1.23 120.51 121.56 3hqk n ALA 235 Ca -0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3hqk n ALA 235 Cb 0.06 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 3hqk n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 236 N 2.68 0.19 0.64 0.00 0.00 -1.11 -2.97 119.26 118.68 3hqk h ALA 236 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 3hqk h ALA 236 Cb 0.01 0.49 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hqk h ALA 236 CO 0.00 0.96 -0.31 0.28 0.00 0.00 0.00 179.25 180.19 3hqk h VAL 237 N -0.08 0.18 -0.67 0.00 2.07 -0.94 -2.11 116.25 114.70 3hqk h VAL 237 Ca -0.34 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 66.96 3hqk h VAL 237 Cb 1.95 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 3hqk h VAL 237 CO 0.12 0.02 -0.28 0.00 0.02 0.00 0.00 177.57 177.45 3hqk h TYR 239 N 0.00 -0.27 -0.35 0.00 0.99 -1.53 -1.94 116.97 113.86 3hqk h TYR 239 Ca 0.21 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.01 3hqk h TYR 239 Cb 0.38 0.09 -0.06 0.00 1.00 0.00 0.00 36.73 38.15 3hqk h TYR 239 CO -0.60 -0.16 -0.02 0.28 -0.00 0.00 0.00 178.16 177.65 3hqk h VAL 240 N -0.27 0.71 -0.06 -2.88 2.07 -0.57 0.24 116.25 115.50 3hqk h VAL 240 Ca -0.03 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hqk h VAL 240 Cb 0.21 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hqk h VAL 240 CO 0.03 0.01 0.02 -0.07 0.02 0.00 0.00 177.57 177.59 3hqk h LEU 241 N 0.07 0.07 0.66 2.57 3.38 -1.18 -2.23 115.31 118.67 3hqk h LEU 241 Ca 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hqk h LEU 241 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hqk h LEU 241 CO -0.31 0.19 -0.34 -1.28 0.09 0.00 0.00 178.44 176.80 3hqk h SER 242 N -0.05 -0.81 -0.56 -0.43 0.87 -0.74 -2.81 113.55 109.01 3hqk h SER 242 Ca 0.02 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3hqk h SER 242 Cb 0.14 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3hqk h SER 242 CO -0.00 -0.56 0.27 0.71 -0.53 0.00 0.00 176.83 176.72 3hqk h THR 243 N -0.91 1.20 -0.74 2.23 1.35 -0.63 -3.04 112.91 112.37 3hqk h THR 243 Ca -0.09 -0.58 -0.06 0.00 -0.55 0.00 0.00 66.41 65.14 3hqk h THR 243 Cb 0.71 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 3hqk h THR 243 CO 0.14 0.23 0.25 0.00 -0.25 0.00 0.00 175.52 175.89 3hqk h THR 244 N 0.76 1.26 -0.74 6.82 1.03 -1.50 -3.16 112.91 117.37 3hqk h THR 244 Ca 0.19 -0.88 -0.05 0.00 -0.01 0.00 0.00 66.41 65.66 3hqk h THR 244 Cb 0.12 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 67.59 3hqk h THR 244 CO -0.02 0.35 0.27 0.00 -0.01 0.00 0.00 175.52 176.10 3hqk h ALA 245 N 1.13 1.07 -0.65 0.00 0.00 -1.45 -3.27 119.26 116.08 3hqk h ALA 245 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hqk h ALA 245 Cb 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hqk h ALA 245 CO -0.01 0.65 0.39 -0.84 0.00 0.00 0.00 179.25 179.44 3hqk h ILE 246 N 1.09 1.19 -2.09 0.00 3.07 -1.49 4.33 117.51 123.62 3hqk h ILE 246 Ca 0.25 -0.43 -0.71 0.00 1.55 0.00 0.00 64.86 65.52 3hqk h ILE 246 Cb 0.25 0.29 -0.33 0.00 -0.27 0.00 0.00 36.82 36.76 3hqk h ILE 246 CO -0.02 0.20 0.36 1.15 -1.05 0.00 0.00 178.15 178.79 3hqk n MET 247 N -4.57 3.97 -1.53 0.16 0.00 -1.23 0.32 117.12 114.22 3hqk n MET 247 Ca 0.05 -4.43 -0.09 0.00 0.00 0.00 0.00 57.70 53.24 3hqk n MET 247 Cb 0.06 -2.33 0.04 0.00 0.00 0.00 0.00 33.22 30.98 3hqk n MET 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hqk n GLY 248 N -0.28 1.18 0.09 3.17 0.00 -1.23 -4.71 105.19 103.39 3hqk n GLY 248 Ca 0.43 -2.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 3hqk n GLY 248 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hqk n MET 249 N -1.65 0.64 0.00 1.61 0.00 1.43 -3.72 117.12 115.43 3hqk n MET 249 Ca 0.07 0.16 0.13 0.00 0.00 0.00 0.00 57.70 58.06 3hqk n MET 249 Cb 0.23 -1.73 0.42 0.00 0.00 0.00 0.00 33.22 32.15 3hqk n MET 249 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3hqk n ILE 250 N -2.85 0.00 -1.26 3.17 -5.35 0.01 -4.43 119.36 108.65 3hqk n ILE 250 Ca -0.15 -0.17 -0.21 0.00 -0.27 0.00 0.00 62.75 61.95 3hqk n ILE 250 Cb 0.92 0.45 -0.11 0.00 -1.74 0.00 0.00 39.64 39.16 3hqk n ILE 250 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3hqk n PRO 251 N -0.34 2.41 -4.25 6.28 -0.04 0.94 -4.78 135.00 135.21 3hqk n PRO 251 Ca 0.14 -1.72 -0.26 0.00 -0.04 0.00 0.00 63.50 61.62 3hqk n PRO 251 Cb 0.35 -2.14 -0.17 0.00 -0.04 0.00 0.00 33.50 31.51 3hqk n PRO 251 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hqk s ASN 252 N 1.30 2.09 0.87 3.54 -0.87 -1.26 -2.23 114.94 118.39 3hqk s ASN 252 Ca 0.63 -0.33 -0.12 0.00 -1.57 0.00 0.00 52.86 51.48 3hqk s ASN 252 Cb 0.33 -0.89 0.12 0.00 -0.02 0.00 0.00 41.25 40.78 3hqk s ASN 252 CO -0.09 -0.04 1.09 0.00 -2.57 0.00 0.00 177.10 175.49 3hqk s ALA 253 N 1.19 1.71 0.40 0.60 0.00 -1.26 -4.87 121.76 119.53 3hqk s ALA 253 Ca -0.04 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.87 3hqk s ALA 253 Cb -0.14 -3.16 0.84 0.00 0.00 0.00 0.00 23.12 20.65 3hqk s ALA 253 CO -0.03 -2.21 2.05 0.00 0.00 0.00 0.00 175.76 175.57 3hqk h ALA 254 N -1.44 1.71 -0.77 0.00 0.00 -1.84 -0.93 119.26 115.98 3hqk h ALA 254 Ca -0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3hqk h ALA 254 Cb 1.28 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3hqk h ALA 254 CO 0.56 0.26 0.42 -0.07 0.00 0.00 0.00 179.25 180.42 3hqk h LEU 255 N 0.59 0.96 -0.52 0.00 3.38 -1.95 0.23 115.31 118.00 3hqk h LEU 255 Ca 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hqk h LEU 255 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hqk h LEU 255 CO -0.04 0.77 0.23 0.03 0.09 0.00 0.00 178.44 179.52 3hqk h ARG 256 N 1.08 0.76 -0.68 1.13 2.47 -1.50 -0.48 114.38 117.15 3hqk h ARG 256 Ca 0.27 -0.12 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 3hqk h ARG 256 Cb 0.03 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 3hqk h ARG 256 CO -0.04 0.65 0.13 -0.39 0.56 0.00 0.00 179.97 180.87 3hqk h VAL 257 N 0.69 1.26 -0.94 2.04 -1.51 -1.39 0.16 116.25 116.56 3hqk h VAL 257 Ca 0.17 -1.01 -0.00 0.00 -1.23 0.00 0.00 66.70 64.63 3hqk h VAL 257 Cb 0.16 0.60 -0.05 0.00 -2.13 0.00 0.00 31.29 29.87 3hqk h VAL 257 CO -0.02 0.38 0.58 -1.28 -1.23 0.00 0.00 177.57 176.01 3hqk h SER 258 N 1.04 1.12 -0.62 4.19 0.87 -0.28 -1.62 113.55 118.26 3hqk h SER 258 Ca 0.21 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hqk h SER 258 Cb 0.41 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3hqk h SER 258 CO 0.01 0.85 0.00 0.00 -0.53 0.00 0.00 176.83 177.16 3hqk n ALA 259 N -2.38 2.36 -2.75 6.23 0.00 -0.25 -4.87 120.51 118.85 3hqk n ALA 259 Ca 0.11 -1.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.00 3hqk n ALA 259 Cb 0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.50 3hqk n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hqk s SER 260 N -1.09 3.71 0.18 0.00 1.04 0.56 -5.02 113.70 113.08 3hqk s SER 260 Ca 0.44 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 3hqk s SER 260 Cb 0.23 -1.09 0.09 0.00 0.10 0.00 0.00 66.02 65.35 3hqk s SER 260 CO 0.31 0.26 1.84 -0.65 0.98 0.00 0.00 173.24 175.98 3hqk h PRO 261 N 6.01 0.72 0.00 4.02 0.11 -1.87 -3.44 132.00 137.55 3hqk h PRO 261 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hqk h PRO 261 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hqk h PRO 261 CO 0.51 0.48 0.00 0.34 -0.21 0.00 0.00 178.00 179.12 3hqk n PHE 262 N -4.71 0.00 -0.13 0.65 7.35 -1.26 -4.49 117.46 114.87 3hqk n PHE 262 Ca 0.04 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.63 3hqk n PHE 262 Cb 0.03 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.85 3hqk n PHE 262 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3hqk h GLY 263 N 0.00 0.66 0.78 7.13 0.00 -1.93 -3.25 103.07 106.45 3hqk h GLY 263 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3hqk h GLY 263 CO 0.00 0.38 -1.46 1.34 0.00 0.00 0.00 176.54 176.80 3hqk n ASP 264 N -4.59 0.68 0.00 0.19 2.03 -1.26 -3.51 116.55 110.09 3hqk n ASP 264 Ca -0.01 0.29 0.01 0.00 0.52 0.00 0.00 54.79 55.60 3hqk n ASP 264 Cb 0.20 0.54 0.07 0.00 -0.72 0.00 0.00 41.12 41.21 3hqk n ASP 264 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hqk n ALA 265 N -2.35 1.93 -0.15 -1.67 0.00 -1.23 -2.05 120.51 115.00 3hqk n ALA 265 Ca -0.08 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3hqk n ALA 265 Cb 0.75 -1.04 0.28 0.00 0.00 0.00 0.00 19.45 19.44 3hqk n ALA 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk n ALA 266 N -0.59 3.14 -1.01 0.00 0.00 -1.23 -4.18 120.51 116.65 3hqk n ALA 266 Ca 0.02 -1.24 0.06 0.00 0.00 0.00 0.00 53.44 52.28 3hqk n ALA 266 Cb 0.01 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.50 3hqk n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hqk n ARG 267 N 0.66 1.34 -0.66 0.00 1.74 -0.87 -4.81 116.66 114.06 3hqk n ARG 267 Ca 0.19 -2.06 -0.32 0.00 -0.77 0.00 0.00 57.85 54.90 3hqk n ARG 267 Cb 0.78 -1.22 0.18 0.00 -1.02 0.00 0.00 32.46 31.18 3hqk n ARG 267 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3hqk n MET 268 N -0.99 -1.44 -0.63 5.56 2.81 -1.26 -4.36 117.12 116.81 3hqk n MET 268 Ca 0.10 -0.39 -0.31 0.00 -1.81 0.00 0.00 57.70 55.29 3hqk n MET 268 Cb 0.57 -1.88 0.19 0.00 -0.71 0.00 0.00 33.22 31.40 3hqk n MET 268 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hqk n ALA 269 N -4.36 -3.06 -2.82 3.04 0.00 -1.26 -4.03 120.51 108.02 3hqk n ALA 269 Ca 0.03 -1.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.00 3hqk n ALA 269 Cb 0.58 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 3hqk n ALA 269 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hqk s LEU 270 N -3.83 4.27 0.00 0.00 1.02 -1.26 -4.87 118.68 114.01 3hqk s LEU 270 Ca 0.62 -0.92 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3hqk s LEU 270 Cb -0.19 -2.44 0.00 0.00 0.02 0.00 0.00 46.19 43.57 3hqk s LEU 270 CO 0.65 -1.47 0.00 0.61 0.02 0.00 0.00 176.35 176.16 3hqk n GLY 271 N 5.32 1.11 2.95 -3.19 0.00 -1.26 -5.02 105.19 105.10 3hqk n GLY 271 Ca -0.03 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 3hqk n GLY 271 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqk s ASP 272 N -2.48 2.36 0.10 1.61 1.11 -1.26 -5.13 116.67 112.98 3hqk s ASP 272 Ca 0.00 -0.37 0.06 0.00 0.18 0.00 0.00 52.55 52.42 3hqk s ASP 272 Cb 0.00 -0.97 -0.04 0.00 1.07 0.00 0.00 42.92 42.98 3hqk s ASP 272 CO 0.00 -0.09 -0.05 -0.89 1.18 0.00 0.00 175.17 175.31 3hqk s THR 273 N 1.61 3.66 0.98 -1.27 2.01 -1.26 -4.26 115.64 117.11 3hqk s THR 273 Ca 0.05 -1.14 -0.13 0.00 0.31 0.00 0.00 61.69 60.77 3hqk s THR 273 Cb -0.13 -2.73 0.07 0.00 0.01 0.00 0.00 72.50 69.72 3hqk s THR 273 CO -0.09 0.11 0.46 0.00 -0.69 0.00 0.00 174.62 174.41 3hqk n ALA 274 N 0.64 -2.62 -1.96 7.40 0.00 -1.26 -4.75 120.51 117.96 3hqk n ALA 274 Ca -0.12 -0.71 -0.26 0.00 0.00 0.00 0.00 53.44 52.35 3hqk n ALA 274 Cb 0.52 -1.81 0.12 0.00 0.00 0.00 0.00 19.45 18.28 3hqk n ALA 274 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hqk s GLY 275 N -2.08 1.76 -1.03 0.00 0.00 -1.26 -5.05 107.32 99.66 3hqk s GLY 275 Ca 0.58 -1.40 -0.23 0.00 0.00 0.00 0.00 44.72 43.67 3hqk s GLY 275 CO 0.66 -0.82 1.75 0.00 0.00 0.00 0.00 173.10 174.69 3hqk s ALA 276 N -3.35 2.24 0.01 3.20 0.00 -1.26 -4.70 121.76 117.91 3hqk s ALA 276 Ca 0.67 -2.03 0.14 0.00 0.00 0.00 0.00 51.96 50.73 3hqk s ALA 276 Cb -0.06 -4.58 0.16 0.00 0.00 0.00 0.00 23.12 18.64 3hqk s ALA 276 CO 0.46 -4.29 1.48 0.97 0.00 0.00 0.00 175.76 174.39 3hqk h ILE 277 N 6.73 1.12 0.01 0.00 2.10 -1.96 -3.32 117.51 122.18 3hqk h ILE 277 Ca 0.19 -2.35 0.01 0.00 1.08 0.00 0.00 64.86 63.79 3hqk h ILE 277 Cb 0.98 2.40 -0.02 0.00 -1.09 0.00 0.00 36.82 39.09 3hqk h ILE 277 CO 1.32 0.59 -0.22 0.58 -1.08 0.00 0.00 178.15 179.34 3hqk h VAL 278 N 0.00 0.00 0.00 2.19 2.07 -1.92 -1.74 116.25 116.85 3hqk h VAL 278 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hqk h VAL 278 Cb 1.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hqk h VAL 278 CO 0.08 0.00 0.23 -0.24 0.02 0.00 0.00 177.57 177.66 3hqk n SER 279 N -3.73 0.16 0.05 0.57 2.88 -1.25 -1.22 113.62 111.09 3hqk n SER 279 Ca -0.03 0.42 -0.06 0.00 -1.33 0.00 0.00 58.87 57.87 3hqk n SER 279 Cb 0.17 -0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 63.12 3hqk n SER 279 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3hqk h PHE 280 N 0.00 0.00 0.00 0.66 0.04 -1.44 -3.24 116.94 112.96 3hqk h PHE 280 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hqk h PHE 280 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3hqk h PHE 280 CO 0.00 0.91 -1.76 0.00 -0.60 0.00 0.00 178.31 176.86 3hqk n ALA 282 N -2.08 2.66 0.20 0.00 0.00 -0.96 -1.31 120.51 119.02 3hqk n ALA 282 Ca -0.03 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.23 3hqk n ALA 282 Cb 0.47 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.58 3hqk n ALA 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk n ALA 283 N -0.58 2.68 0.02 0.00 0.00 -1.22 -4.35 120.51 117.06 3hqk n ALA 283 Ca 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 3hqk n ALA 283 Cb 0.23 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3hqk n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 284 N 2.12 -0.16 0.00 0.00 0.00 -1.36 -2.85 119.26 117.01 3hqk h ALA 284 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hqk h ALA 284 Cb 0.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hqk h ALA 284 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3hqk n GLY 285 N 1.38 0.42 0.00 0.00 0.00 -0.88 0.88 105.19 106.99 3hqk n GLY 285 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hqk n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqk h LEU 287 N 0.00 0.92 -1.13 0.00 3.38 0.75 -3.30 115.31 115.93 3hqk h LEU 287 Ca 0.00 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 3hqk h LEU 287 Cb 0.65 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3hqk h LEU 287 CO 0.00 1.34 0.20 1.23 0.09 0.00 0.00 178.44 181.30 3hqk h GLY 288 N 0.68 0.87 2.00 0.83 0.00 -1.54 -2.66 103.07 103.26 3hqk h GLY 288 Ca -0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3hqk h GLY 288 CO 0.14 0.43 -0.01 1.48 0.00 0.00 0.00 176.54 178.57 3hqk h SER 289 N 0.80 0.00 -0.90 0.19 4.64 -1.83 -2.52 113.55 113.93 3hqk h SER 289 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3hqk h SER 289 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 3hqk h SER 289 CO -0.01 0.01 0.53 -0.07 -0.87 0.00 0.00 176.83 176.42 3hqk h LEU 290 N 0.00 1.10 0.08 5.97 3.38 -1.63 0.46 115.31 124.67 3hqk h LEU 290 Ca -0.00 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 3hqk h LEU 290 Cb 0.04 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hqk h LEU 290 CO 0.00 0.86 -0.77 1.23 0.09 0.00 0.00 178.44 179.85 3hqk h GLY 291 N 1.26 0.43 -0.29 0.83 0.00 -1.63 -2.49 103.07 101.18 3hqk h GLY 291 Ca 0.32 -0.91 0.15 0.00 0.00 0.00 0.00 47.33 46.88 3hqk h GLY 291 CO -0.06 0.80 -0.07 -1.33 0.00 0.00 0.00 176.54 175.88 3hqk h GLY 292 N -0.18 0.65 1.85 4.60 0.00 -1.39 0.12 103.07 108.71 3hqk h GLY 292 Ca -0.12 0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 3hqk h GLY 292 CO 0.15 -0.26 -0.72 1.49 0.00 0.00 0.00 176.54 177.20 3hqk h TRP 293 N 0.06 0.20 -0.03 5.60 4.06 -0.04 -2.67 115.95 123.12 3hqk h TRP 293 Ca 0.35 -0.09 -0.20 0.00 2.06 0.00 0.00 58.89 61.01 3hqk h TRP 293 Cb 0.58 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.71 3hqk h TRP 293 CO -0.46 0.81 -0.84 1.79 -3.56 0.00 0.00 178.44 176.18 3hqk h THR 294 N 0.09 1.42 -0.21 1.49 1.35 -0.95 -0.80 112.91 115.30 3hqk h THR 294 Ca -0.02 -2.37 0.04 0.00 -0.55 0.00 0.00 66.41 63.51 3hqk h THR 294 Cb 1.27 2.31 -0.07 0.00 -1.73 0.00 0.00 68.15 69.93 3hqk h THR 294 CO 0.10 0.70 -0.51 0.25 -0.25 0.00 0.00 175.52 175.82 3hqk h LEU 295 N 0.21 -1.63 -1.27 3.87 5.85 -0.58 0.33 115.31 122.09 3hqk h LEU 295 Ca -0.05 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3hqk h LEU 295 Cb 1.45 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 43.09 3hqk h LEU 295 CO 0.14 -0.45 0.51 -0.07 -0.34 0.00 0.00 178.44 178.23 3hqk h LEU 296 N -0.50 0.81 -0.88 2.25 3.38 -1.35 0.39 115.31 119.41 3hqk h LEU 296 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hqk h LEU 296 Cb 0.65 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3hqk h LEU 296 CO -0.47 0.55 0.34 0.00 0.09 0.00 0.00 178.44 178.95 3hqk h ALA 297 N 1.55 1.11 -0.12 1.53 0.00 0.18 -2.60 119.26 120.91 3hqk h ALA 297 Ca 0.31 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hqk h ALA 297 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hqk h ALA 297 CO -0.09 0.65 -0.27 0.78 0.00 0.00 0.00 179.25 180.31 3hqk h GLY 298 N 1.15 0.43 0.28 0.00 0.00 0.89 -3.05 103.07 102.79 3hqk h GLY 298 Ca 0.27 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hqk h GLY 298 CO -0.03 0.47 -0.35 1.46 0.00 0.00 0.00 176.54 178.09 3hqk h GLN 299 N -0.02 -0.63 -0.80 4.80 1.08 -0.91 -0.99 115.11 117.63 3hqk h GLN 299 Ca 0.00 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3hqk h GLN 299 Cb 0.87 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.40 3hqk h GLN 299 CO 0.06 -0.42 0.53 0.00 -0.95 0.00 0.00 178.83 178.05 3hqk h THR 300 N -0.66 1.18 -0.54 -0.54 1.03 -1.61 0.52 112.91 112.29 3hqk h THR 300 Ca -0.03 -0.37 -0.04 0.00 -0.01 0.00 0.00 66.41 65.96 3hqk h THR 300 Cb 0.59 0.02 -0.02 0.00 -1.07 0.00 0.00 68.15 67.67 3hqk h THR 300 CO -0.08 0.19 0.20 0.00 -0.01 0.00 0.00 175.52 175.82 3hqk h ALA 301 N 1.31 0.71 -0.79 0.00 0.00 -1.56 -0.40 119.26 118.52 3hqk h ALA 301 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hqk h ALA 301 Cb -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3hqk h ALA 301 CO -0.08 0.34 0.32 -0.22 0.00 0.00 0.00 179.25 179.61 3hqk h LYS 302 N 0.74 1.19 -0.67 0.00 3.64 -0.39 -0.59 116.57 120.49 3hqk h LYS 302 Ca 0.18 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3hqk h LYS 302 Cb 0.23 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3hqk h LYS 302 CO -0.01 0.96 0.24 0.00 -2.27 0.00 0.00 179.45 178.36 3hqk h ALA 303 N 1.19 0.87 -0.76 5.00 0.00 0.47 -0.39 119.26 125.65 3hqk h ALA 303 Ca 0.26 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hqk h ALA 303 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hqk h ALA 303 CO -0.02 0.52 0.26 0.00 0.00 0.00 0.00 179.25 180.00 3hqk h ALA 304 N 1.10 0.99 -0.70 0.00 0.00 -0.62 -2.44 119.26 117.59 3hqk h ALA 304 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hqk h ALA 304 Cb 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hqk h ALA 304 CO -0.01 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.17 3hqk h ALA 305 N 1.13 1.16 -0.56 0.00 0.00 0.73 -2.16 119.26 119.57 3hqk h ALA 305 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hqk h ALA 305 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hqk h ALA 305 CO -0.01 0.60 0.35 -0.44 0.00 0.00 0.00 179.25 179.76 3hqk h ASP 306 N 1.01 0.66 -2.81 0.00 3.32 -0.60 -3.42 116.42 114.59 3hqk h ASP 306 Ca 0.23 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3hqk h ASP 306 Cb 0.21 -0.17 0.03 0.00 0.22 0.00 0.00 39.33 39.62 3hqk h ASP 306 CO -0.02 0.50 0.06 0.47 -1.72 0.00 0.00 179.24 178.53 3hqk n ASP 307 N -4.67 0.10 0.14 6.45 8.00 -1.07 -4.86 116.55 120.64 3hqk n ASP 307 Ca 0.03 -1.13 0.08 0.00 0.71 0.00 0.00 54.79 54.48 3hqk n ASP 307 Cb 0.04 -0.17 0.40 0.00 -0.02 0.00 0.00 41.12 41.37 3hqk n ASP 307 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqk n GLY 308 N 3.44 -0.69 3.70 0.44 0.00 -1.26 -4.74 105.19 106.08 3hqk n GLY 308 Ca 0.03 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hqk n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hqk s LEU 309 N -4.09 3.87 0.00 0.99 2.01 -0.84 -4.99 118.68 115.63 3hqk s LEU 309 Ca -0.02 0.18 0.00 0.00 0.01 0.00 0.00 54.13 54.31 3hqk s LEU 309 Cb 0.04 -1.95 0.00 0.00 0.01 0.00 0.00 46.19 44.30 3hqk s LEU 309 CO 0.13 0.28 0.00 0.33 1.01 0.00 0.00 176.35 178.10 3hqk n PHE 310 N 2.82 0.00 -1.96 0.29 -0.00 -1.26 -0.63 117.46 116.72 3hqk n PHE 310 Ca -0.18 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.86 3hqk n PHE 310 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.00 3hqk n PHE 310 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3hqk s PRO 311 N -2.79 4.24 0.24 -7.13 0.02 -1.26 -4.64 135.00 123.67 3hqk s PRO 311 Ca 0.00 2.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 3hqk s PRO 311 Cb 0.00 -3.05 0.24 0.00 0.02 0.00 0.00 34.50 31.71 3hqk s PRO 311 CO 0.00 -0.40 1.82 -1.00 -0.33 0.00 0.00 177.00 177.09 3hqk h PRO 312 N 3.91 1.14 -1.33 5.54 0.13 -1.92 -2.85 132.00 136.63 3hqk h PRO 312 Ca -0.48 -0.18 0.38 0.00 -0.87 0.00 0.00 66.00 64.85 3hqk h PRO 312 Cb 1.23 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.10 3hqk h PRO 312 CO 0.70 0.90 1.08 -0.89 -0.23 0.00 0.00 178.00 179.56 3hqk n ILE 313 N -4.30 0.00 1.98 -3.56 -0.00 -1.26 0.34 119.36 112.56 3hqk n ILE 313 Ca 0.07 1.12 0.09 0.00 -0.00 0.00 0.00 62.75 64.03 3hqk n ILE 313 Cb 0.16 -1.90 0.51 0.00 -0.00 0.00 0.00 39.64 38.40 3hqk n ILE 313 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 3hqk n PHE 314 N -3.29 0.01 -3.79 1.39 3.72 -1.08 -4.40 117.46 110.01 3hqk n PHE 314 Ca 0.30 -0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.40 3hqk n PHE 314 Cb 1.48 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.87 3hqk n PHE 314 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hqk s ALA 315 N -1.99 2.08 0.15 4.37 0.00 1.04 -3.87 121.76 123.54 3hqk s ALA 315 Ca 0.26 -2.20 -0.03 0.00 0.00 0.00 0.00 51.96 49.99 3hqk s ALA 315 Cb 0.12 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.46 3hqk s ALA 315 CO 0.20 -1.81 0.26 0.54 0.00 0.00 0.00 175.76 174.95 3hqk n ARG 316 N 4.26 0.37 -1.31 0.00 1.74 -1.26 -5.03 116.66 115.43 3hqk n ARG 316 Ca 0.03 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 3hqk n ARG 316 Cb 0.39 1.12 0.00 0.00 -1.02 0.00 0.00 32.46 32.95 3hqk n ARG 316 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hqk n GLY 321 N -0.23 -0.34 0.29 -0.13 0.00 -1.26 -4.08 105.19 99.44 3hqk n GLY 321 Ca -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 3hqk n GLY 321 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hqk h THR 322 N 0.00 1.26 -3.86 2.61 2.02 -2.04 -3.43 112.91 109.46 3hqk h THR 322 Ca 0.00 -0.94 -0.68 0.00 0.77 0.00 0.00 66.41 65.55 3hqk h THR 322 Cb 0.42 0.68 -0.20 0.00 -1.74 0.00 0.00 68.15 67.30 3hqk h THR 322 CO 0.00 0.35 -0.79 -2.84 0.37 0.00 0.00 175.52 172.61 3hqk s PRO 323 N -5.28 2.07 0.22 6.66 0.02 -1.26 -5.06 135.00 132.36 3hqk s PRO 323 Ca -0.12 -1.00 -0.32 0.00 0.02 0.00 0.00 61.00 59.58 3hqk s PRO 323 Cb 0.13 -2.21 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 3hqk s PRO 323 CO 0.83 0.53 1.59 1.55 -0.33 0.00 0.00 177.00 181.17 3hqk n VAL 324 N 1.35 0.40 1.29 3.83 3.14 -1.26 -4.79 118.33 122.29 3hqk n VAL 324 Ca -0.16 -0.10 0.13 0.00 -2.96 0.00 0.00 64.34 61.25 3hqk n VAL 324 Cb 0.52 -1.73 0.38 0.00 -1.06 0.00 0.00 33.84 31.95 3hqk n VAL 324 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hqk n ALA 325 N 3.00 2.93 0.94 1.55 0.00 -1.26 -2.99 120.51 124.68 3hqk n ALA 325 Ca 0.14 -0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.22 3hqk n ALA 325 Cb 0.33 -1.10 0.48 0.00 0.00 0.00 0.00 19.45 19.16 3hqk n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqk n GLY 326 N 1.30 -0.79 0.36 0.00 0.00 -1.26 -0.94 105.19 103.86 3hqk n GLY 326 Ca 0.14 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.23 3hqk n GLY 326 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqk h LEU 327 N 0.00 0.00 -0.24 0.99 6.46 -1.91 0.27 115.31 120.88 3hqk h LEU 327 Ca 0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.55 3hqk h LEU 327 Cb 0.12 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3hqk h LEU 327 CO 0.00 0.00 -0.88 -0.07 -0.62 0.00 0.00 178.44 176.87 3hqk h LEU 328 N 0.00 0.52 -1.46 2.25 3.38 -1.33 -2.91 115.31 115.75 3hqk h LEU 328 Ca 0.09 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3hqk h LEU 328 Cb 1.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hqk h LEU 328 CO -0.00 1.17 -0.14 0.40 0.09 0.00 0.00 178.44 179.96 3hqk h ILE 329 N 0.25 1.17 -0.59 1.22 2.04 -0.68 0.60 117.51 121.51 3hqk h ILE 329 Ca -0.06 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3hqk h ILE 329 Cb 1.50 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 3hqk h ILE 329 CO 0.15 0.23 0.39 0.58 0.00 0.00 0.00 178.15 179.50 3hqk h VAL 330 N 0.17 1.15 0.21 1.67 2.07 -1.49 0.21 116.25 120.24 3hqk h VAL 330 Ca 0.04 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3hqk h VAL 330 Cb 0.36 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3hqk h VAL 330 CO 0.02 0.15 -0.10 1.23 0.02 0.00 0.00 177.57 178.89 3hqk h GLY 331 N 0.80 -0.29 0.56 2.17 0.00 -0.40 0.37 103.07 106.28 3hqk h GLY 331 Ca 0.22 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3hqk h GLY 331 CO -0.05 -0.11 0.15 -2.08 0.00 0.00 0.00 176.54 174.45 3hqk h VAL 332 N -0.28 0.84 0.15 4.60 2.07 0.16 -2.63 116.25 121.15 3hqk h VAL 332 Ca -0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3hqk h VAL 332 Cb 0.22 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hqk h VAL 332 CO 0.05 0.06 -0.07 -0.07 0.02 0.00 0.00 177.57 177.55 3hqk h LEU 333 N 0.31 -0.17 -1.10 2.57 3.38 -0.46 -1.24 115.31 118.60 3hqk h LEU 333 Ca 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hqk h LEU 333 Cb 0.22 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hqk h LEU 333 CO -0.23 0.15 0.26 0.24 0.09 0.00 0.00 178.44 178.96 3hqk h MET 334 N -0.52 0.00 0.00 1.13 2.86 -0.18 -1.38 114.93 116.85 3hqk h MET 334 Ca -0.02 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.27 3hqk h MET 334 Cb 0.40 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 3hqk h MET 334 CO 0.03 0.00 -2.15 0.25 1.06 0.00 0.00 176.91 176.10 3hqk n THR 335 N -2.19 1.52 -0.32 2.22 -2.24 -1.00 -3.12 114.28 109.15 3hqk n THR 335 Ca -0.01 -0.25 0.26 0.00 -2.27 0.00 0.00 64.05 61.78 3hqk n THR 335 Cb 0.29 -2.00 0.49 0.00 -2.10 0.00 0.00 70.33 67.01 3hqk n THR 335 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3hqk n ILE 336 N -4.30 -0.41 0.10 2.28 5.41 -0.49 0.14 119.36 122.10 3hqk n ILE 336 Ca -0.44 2.02 -0.16 0.00 1.00 0.00 0.00 62.75 65.17 3hqk n ILE 336 Cb 0.79 -3.18 -0.13 0.00 -0.71 0.00 0.00 39.64 36.41 3hqk n ILE 336 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3hqk h PHE 337 N 0.00 0.52 -0.01 1.39 0.05 -1.48 -2.97 116.94 114.44 3hqk h PHE 337 Ca 0.76 -0.37 0.00 0.00 3.82 0.00 0.00 57.97 62.18 3hqk h PHE 337 Cb 1.92 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 39.84 3hqk h PHE 337 CO -0.15 1.27 0.03 0.37 -0.18 0.00 0.00 178.31 179.66 3hqk h GLN 338 N 0.09 0.00 0.12 1.51 5.75 0.14 -2.86 115.11 119.86 3hqk h GLN 338 Ca -0.13 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.00 3hqk h GLN 338 Cb 1.93 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.46 3hqk h GLN 338 CO 0.20 0.00 -1.99 1.19 -2.65 0.00 0.00 178.83 175.58 3hqk n PHE 339 N -3.32 1.26 1.35 3.99 3.72 0.68 -3.70 117.46 121.44 3hqk n PHE 339 Ca -0.03 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 3hqk n PHE 339 Cb 0.11 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.48 3hqk n PHE 339 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hqk n SER 340 N -3.48 0.33 -0.04 4.37 7.64 -1.10 -2.22 113.62 119.13 3hqk n SER 340 Ca -0.32 -1.69 -0.05 0.00 1.01 0.00 0.00 58.87 57.83 3hqk n SER 340 Cb 1.05 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 64.04 3hqk n SER 340 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hqk n SER 341 N -0.27 3.33 -0.11 6.43 3.41 -1.10 -4.56 113.62 120.74 3hqk n SER 341 Ca 0.00 -0.03 -0.20 0.00 -0.26 0.00 0.00 58.87 58.38 3hqk n SER 341 Cb 0.08 0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 3hqk n SER 341 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqk n MET 342 N -2.57 0.51 0.44 4.33 2.81 -1.22 -4.02 117.12 117.40 3hqk n MET 342 Ca -0.14 0.17 -0.17 0.00 -1.81 0.00 0.00 57.70 55.75 3hqk n MET 342 Cb 0.68 -1.37 -0.08 0.00 -0.71 0.00 0.00 33.22 31.74 3hqk n MET 342 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3hqk h SER 343 N -0.45 -0.95 -3.28 7.83 0.02 -1.72 -3.40 113.55 111.60 3hqk h SER 343 Ca -0.54 0.03 -0.62 0.00 -0.84 0.00 0.00 61.79 59.83 3hqk h SER 343 Cb 1.62 0.25 -0.16 0.00 0.14 0.00 0.00 62.40 64.24 3hqk h SER 343 CO -0.23 -0.66 -0.56 -2.16 -1.14 0.00 0.00 176.83 172.08 3hqk s PRO 344 N -5.37 3.97 0.40 3.45 0.05 -1.26 -5.07 135.00 131.17 3hqk s PRO 344 Ca -0.16 -0.34 -0.26 0.00 0.05 0.00 0.00 61.00 60.28 3hqk s PRO 344 Cb 0.02 -3.21 -0.09 0.00 0.05 0.00 0.00 34.50 31.27 3hqk s PRO 344 CO 0.49 0.28 1.34 -0.80 0.05 0.00 0.00 177.00 178.36 3hqk s ASN 345 N 0.35 6.31 -0.01 6.66 -0.87 -1.26 -4.43 114.94 121.68 3hqk s ASN 345 Ca 0.03 2.73 0.01 0.00 -1.57 0.00 0.00 52.86 54.06 3hqk s ASN 345 Cb -0.12 -2.64 -0.02 0.00 -0.02 0.00 0.00 41.25 38.44 3hqk s ASN 345 CO 0.00 -0.86 0.01 0.00 -2.57 0.00 0.00 177.10 173.69 3hqk n ALA 346 N 0.19 1.99 0.20 0.60 0.00 -1.26 -4.81 120.51 117.43 3hqk n ALA 346 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3hqk n ALA 346 Cb 0.43 0.13 0.43 0.00 0.00 0.00 0.00 19.45 20.44 3hqk n ALA 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqk h ALA 347 N 0.10 1.30 -0.02 0.00 0.00 -1.78 -3.47 119.26 115.40 3hqk h ALA 347 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hqk h ALA 347 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hqk h ALA 347 CO 0.00 0.39 -0.05 1.63 0.00 0.00 0.00 179.25 181.22 3hqk n LYS 348 N -3.91 1.68 -0.13 0.00 4.76 -1.26 -4.58 118.16 114.71 3hqk n LYS 348 Ca -0.02 -1.10 -0.05 0.00 -2.87 0.00 0.00 58.31 54.27 3hqk n LYS 348 Cb 0.39 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.14 3hqk n LYS 348 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3hqk h GLU 349 N 2.70 0.32 -0.91 1.97 -0.00 -1.98 -1.21 114.58 115.46 3hqk h GLU 349 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3hqk h GLU 349 Cb 0.61 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.29 3hqk h GLU 349 CO 0.00 0.21 0.00 1.97 -0.00 0.00 0.00 179.01 181.19 3hqk n PHE 350 N -5.00 0.00 0.00 2.06 1.16 -1.26 -2.21 117.46 112.20 3hqk n PHE 350 Ca 0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 3hqk n PHE 350 Cb 0.16 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 37.91 3hqk n PHE 350 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3hqk n GLY 351 N 0.20 0.50 0.14 4.97 0.00 -0.50 -4.41 105.19 106.09 3hqk n GLY 351 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3hqk n GLY 351 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqk h LEU 352 N 0.00 0.56 -0.89 0.99 5.85 -0.96 -3.14 115.31 117.73 3hqk h LEU 352 Ca 0.00 -0.79 0.19 0.00 0.84 0.00 0.00 57.88 58.11 3hqk h LEU 352 Cb 0.00 -0.17 -0.17 0.00 0.37 0.00 0.00 40.66 40.69 3hqk h LEU 352 CO 0.00 1.29 -0.18 0.58 -0.34 0.00 0.00 178.44 179.79 3hqk h VAL 353 N -0.10 0.12 -0.80 1.05 2.07 -1.80 0.56 116.25 117.35 3hqk h VAL 353 Ca -0.10 -0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.65 3hqk h VAL 353 Cb 1.42 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3hqk h VAL 353 CO 0.14 0.00 0.72 -1.28 0.02 0.00 0.00 177.57 177.16 3hqk h SER 354 N 0.01 0.00 0.00 0.57 0.87 -1.75 -1.96 113.55 111.29 3hqk h SER 354 Ca 0.45 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.75 3hqk h SER 354 Cb 0.72 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.64 3hqk h SER 354 CO -0.90 0.00 -2.27 -1.54 -0.53 0.00 0.00 176.83 171.60 3hqk n SER 355 N -3.84 0.01 -0.06 6.23 3.41 0.08 -4.22 113.62 115.24 3hqk n SER 355 Ca 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.77 3hqk n SER 355 Cb 1.00 1.30 0.26 0.00 -0.26 0.00 0.00 64.21 66.50 3hqk n SER 355 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hqk h VAL 356 N 0.00 1.21 -0.19 -3.33 2.07 -0.49 -1.94 116.25 113.57 3hqk h VAL 356 Ca -0.38 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3hqk h VAL 356 Cb 1.87 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3hqk h VAL 356 CO 0.02 0.28 0.13 0.77 0.02 0.00 0.00 177.57 178.78 3hqk h SER 357 N 0.63 0.17 -0.91 0.57 4.64 -1.66 -2.03 113.55 114.96 3hqk h SER 357 Ca 0.14 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3hqk h SER 357 Cb 0.30 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 3hqk h SER 357 CO 0.00 0.12 0.60 0.58 -0.87 0.00 0.00 176.83 177.27 3hqk h VAL 358 N 0.20 1.20 -0.73 0.95 2.07 -1.54 -1.66 116.25 116.75 3hqk h VAL 358 Ca 0.07 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hqk h VAL 358 Cb 0.05 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.68 3hqk h VAL 358 CO -0.01 0.22 0.36 0.40 0.02 0.00 0.00 177.57 178.56 3hqk h ILE 359 N 1.20 1.23 -0.64 4.57 2.04 -1.48 -2.94 117.51 121.49 3hqk h ILE 359 Ca 0.35 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.69 3hqk h ILE 359 Cb -0.07 0.31 -0.12 0.00 -0.74 0.00 0.00 36.82 36.20 3hqk h ILE 359 CO -0.09 0.27 -0.25 -0.26 0.00 0.00 0.00 178.15 177.82 3hqk h PHE 360 N 1.01 -0.63 -0.72 1.37 0.05 -1.31 0.26 116.94 116.97 3hqk h PHE 360 Ca 0.25 0.07 0.21 0.00 3.82 0.00 0.00 57.97 62.32 3hqk h PHE 360 Cb 0.10 0.37 -0.03 0.00 2.00 0.00 0.00 35.95 38.39 3hqk h PHE 360 CO 0.00 -0.34 0.77 1.15 -0.18 0.00 0.00 178.31 179.72 3hqk h THR 361 N -0.08 0.23 -0.20 -1.55 2.02 -1.41 -0.63 112.91 111.28 3hqk h THR 361 Ca 0.28 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.28 3hqk h THR 361 Cb 0.53 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3hqk h THR 361 CO -0.69 0.00 -0.60 -0.07 0.37 0.00 0.00 175.52 174.53 3hqk h LEU 362 N 0.00 0.76 -1.08 2.58 3.38 -0.58 -3.32 115.31 117.05 3hqk h LEU 362 Ca 0.34 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hqk h LEU 362 Cb 1.89 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.38 3hqk h LEU 362 CO -0.00 1.18 0.57 0.58 0.09 0.00 0.00 178.44 180.86 3hqk h VAL 363 N 0.50 1.24 -0.69 1.22 2.07 -1.14 -0.71 116.25 118.74 3hqk h VAL 363 Ca -0.00 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3hqk h VAL 363 Cb 1.18 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3hqk h VAL 363 CO 0.12 0.24 0.29 -0.65 0.02 0.00 0.00 177.57 177.59 3hqk h PRO 364 N 1.22 1.01 -0.73 1.57 0.11 -1.66 -2.32 132.00 131.20 3hqk h PRO 364 Ca 0.32 -0.16 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 3hqk h PRO 364 Cb -0.10 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.80 3hqk h PRO 364 CO -0.07 0.81 0.25 1.88 -0.21 0.00 0.00 178.00 180.67 3hqk h TYR 365 N 0.99 1.15 -0.70 0.65 0.05 -1.35 -0.21 116.97 117.54 3hqk h TYR 365 Ca 0.23 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3hqk h TYR 365 Cb 0.17 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3hqk h TYR 365 CO 0.01 0.90 0.41 1.25 -1.05 0.00 0.00 178.16 179.68 3hqk h LEU 366 N 1.06 0.86 0.13 3.88 5.85 -0.64 -3.15 115.31 123.31 3hqk h LEU 366 Ca 0.24 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hqk h LEU 366 Cb 0.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hqk h LEU 366 CO -0.01 0.68 -0.06 1.88 -0.34 0.00 0.00 178.44 180.59 3hqk h TYR 367 N 0.96 -0.17 0.00 1.25 0.05 -1.34 -3.23 116.97 114.50 3hqk h TYR 367 Ca 0.25 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3hqk h TYR 367 Cb -0.00 0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3hqk h TYR 367 CO -0.01 0.30 0.00 0.25 -1.05 0.00 0.00 178.16 177.65 3hqk n THR 368 N -4.89 0.00 -0.03 -2.88 -2.24 -0.10 0.43 114.28 104.57 3hqk n THR 368 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 3hqk n THR 368 Cb 0.27 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 67.89 3hqk n THR 368 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqk h ALA 370 N -1.63 1.11 -0.53 0.00 0.00 -1.45 0.70 119.26 117.45 3hqk h ALA 370 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hqk h ALA 370 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hqk h ALA 370 CO 0.00 0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.90 3hqk h ALA 371 N 1.35 0.68 -0.63 0.00 0.00 -0.27 -0.66 119.26 119.74 3hqk h ALA 371 Ca 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hqk h ALA 371 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hqk h ALA 371 CO -0.12 0.20 0.36 1.25 0.00 0.00 0.00 179.25 180.94 3hqk h LEU 372 N 0.72 0.77 -0.37 0.00 6.46 -1.11 -0.44 115.31 121.33 3hqk h LEU 372 Ca 0.19 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3hqk h LEU 372 Cb 0.04 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 3hqk h LEU 372 CO -0.03 0.63 0.24 -0.07 -0.62 0.00 0.00 178.44 178.59 3hqk h LEU 373 N 0.86 0.41 -0.42 2.25 3.38 0.11 0.66 115.31 122.55 3hqk h LEU 373 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3hqk h LEU 373 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hqk h LEU 373 CO -0.04 0.30 0.21 -0.07 0.09 0.00 0.00 178.44 178.93 3hqk h LEU 374 N 0.49 0.53 -1.22 1.67 3.38 -0.76 -0.56 115.31 118.84 3hqk h LEU 374 Ca 0.14 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hqk h LEU 374 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hqk h LEU 374 CO -0.04 0.49 0.13 -0.07 0.09 0.00 0.00 178.44 179.04 3hqk h LEU 375 N 0.54 0.62 -2.31 1.67 3.38 -0.76 -2.73 115.31 115.70 3hqk h LEU 375 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hqk h LEU 375 Cb 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hqk h LEU 375 CO -0.02 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.72 3hqk n GLY 376 N -1.02 1.91 0.30 0.83 0.00 0.20 -4.39 105.19 103.02 3hqk n GLY 376 Ca 0.03 -0.64 0.16 0.00 0.00 0.00 0.00 46.02 45.58 3hqk n GLY 376 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3hqk h HIS 377 N 3.24 0.00 0.09 1.61 2.07 -0.78 -2.86 115.15 118.52 3hqk h HIS 377 Ca 0.00 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.18 3hqk h HIS 377 Cb 0.99 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.95 3hqk h HIS 377 CO 0.50 0.02 -1.84 0.41 -3.07 0.00 0.00 177.93 173.95 3hqk n GLY 378 N -1.15 -0.62 1.01 6.13 0.00 -1.26 -4.63 105.19 104.67 3hqk n GLY 378 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 3hqk n GLY 378 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqk n HIS 379 N -3.71 0.58 -0.02 1.61 8.25 -1.08 -4.39 115.22 116.46 3hqk n HIS 379 Ca -0.32 -0.43 -0.16 0.00 -0.26 0.00 0.00 57.72 56.54 3hqk n HIS 379 Cb 0.96 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 31.67 3hqk n HIS 379 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3hqk h PHE 380 N 0.64 0.29 0.00 4.41 0.05 -1.82 -3.48 116.94 117.02 3hqk h PHE 380 Ca 0.06 -0.17 0.00 0.00 3.82 0.00 0.00 57.97 61.68 3hqk h PHE 380 Cb 1.09 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 39.01 3hqk h PHE 380 CO 0.30 1.00 0.00 0.41 -0.18 0.00 0.00 178.31 179.84 3hqk n GLY 381 N 1.16 0.72 2.68 -1.45 0.00 -1.26 -3.88 105.19 103.16 3hqk n GLY 381 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3hqk n GLY 381 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hqk n LYS 382 N -2.10 1.14 -0.67 1.61 4.81 -1.26 -5.06 118.16 116.63 3hqk n LYS 382 Ca 0.00 -2.05 -0.07 0.00 -0.87 0.00 0.00 58.31 55.32 3hqk n LYS 382 Cb 0.00 -0.49 -0.10 0.00 0.02 0.00 0.00 35.03 34.46 3hqk n LYS 382 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hqk n ALA 383 N -0.25 4.64 -0.04 3.14 0.00 -1.25 -4.68 120.51 122.06 3hqk n ALA 383 Ca 0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 3hqk n ALA 383 Cb 0.80 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 3hqk n ALA 383 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hqk h ARG 384 N 3.47 -0.18 0.00 0.00 2.43 -1.97 -2.51 114.38 115.62 3hqk h ARG 384 Ca 0.11 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3hqk h ARG 384 Cb 1.04 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3hqk h ARG 384 CO 0.25 -0.12 -0.09 -1.35 -1.51 0.00 0.00 179.97 177.15 3hqk h PRO 385 N -0.19 0.00 0.04 0.20 0.11 -1.97 0.82 132.00 131.01 3hqk h PRO 385 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3hqk h PRO 385 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3hqk h PRO 385 CO -0.34 0.09 -0.02 1.25 -0.21 0.00 0.00 178.00 178.76 3hqk h LEU 386 N 0.00 -0.05 0.71 2.35 6.46 -1.85 0.50 115.31 123.43 3hqk h LEU 386 Ca -0.00 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 3hqk h LEU 386 Cb 0.36 0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3hqk h LEU 386 CO 0.01 0.24 -0.34 1.88 -0.62 0.00 0.00 178.44 179.62 3hqk h TYR 387 N -0.34 -0.88 -0.21 1.25 0.05 -0.95 -0.19 116.97 115.70 3hqk h TYR 387 Ca -0.01 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.81 3hqk h TYR 387 Cb 0.31 0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 3hqk h TYR 387 CO 0.02 -0.53 0.45 1.25 -1.05 0.00 0.00 178.16 178.30 3hqk h LEU 388 N -1.01 0.00 0.00 3.88 5.85 0.65 -1.28 115.31 123.40 3hqk h LEU 388 Ca -0.10 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 3hqk h LEU 388 Cb 0.74 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3hqk h LEU 388 CO 0.16 0.00 -0.92 0.25 -0.34 0.00 0.00 178.44 177.59 3hqk h LEU 389 N 0.00 0.00 -0.80 2.25 5.85 -0.39 -3.33 115.31 118.89 3hqk h LEU 389 Ca 0.10 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3hqk h LEU 389 Cb 1.00 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 3hqk h LEU 389 CO -0.00 1.21 -0.57 0.40 -0.34 0.00 0.00 178.44 179.14 3hqk h ILE 390 N -1.00 0.00 0.00 4.05 2.04 -0.36 0.83 117.51 123.07 3hqk h ILE 390 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hqk h ILE 390 Cb 1.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3hqk h ILE 390 CO -0.13 0.00 0.36 0.71 0.00 0.00 0.00 178.15 179.09 3hqk h THR 391 N -0.12 0.00 0.03 -0.27 1.35 -1.46 -0.56 112.91 111.87 3hqk h THR 391 Ca 0.13 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.76 3hqk h THR 391 Cb 0.46 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.22 3hqk h THR 391 CO -0.82 0.00 -1.27 0.15 -0.25 0.00 0.00 175.52 173.33 3hqk h PHE 392 N 0.00 0.10 -0.05 4.73 3.04 0.46 -2.32 116.94 122.89 3hqk h PHE 392 Ca 0.00 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.88 3hqk h PHE 392 Cb 0.72 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3hqk h PHE 392 CO 0.00 1.50 -0.03 0.28 -2.02 0.00 0.00 178.31 178.04 3hqk h VAL 393 N -0.81 0.00 -0.94 1.41 2.07 0.53 0.05 116.25 118.56 3hqk h VAL 393 Ca -0.33 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.37 3hqk h VAL 393 Cb 1.41 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3hqk h VAL 393 CO -0.14 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.05 3hqk h ALA 394 N -0.96 1.91 -0.96 1.67 0.00 -1.36 1.93 119.26 121.48 3hqk h ALA 394 Ca 0.01 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hqk h ALA 394 Cb 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3hqk h ALA 394 CO -0.05 -0.20 0.62 0.74 0.00 0.00 0.00 179.25 180.36 3hqk h PHE 395 N 0.63 1.17 -0.66 0.00 -1.00 -0.77 -0.94 116.94 115.36 3hqk h PHE 395 Ca 0.50 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 61.24 3hqk h PHE 395 Cb 0.93 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 3hqk h PHE 395 CO -0.00 0.65 0.13 -0.24 -1.61 0.00 0.00 178.31 177.23 3hqk h VAL 396 N 1.18 1.26 -0.59 -0.55 3.04 0.48 -2.47 116.25 118.61 3hqk h VAL 396 Ca 0.40 -0.99 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3hqk h VAL 396 Cb 0.06 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 29.95 3hqk h VAL 396 CO -0.14 0.37 0.35 0.22 -1.01 0.00 0.00 177.57 177.36 3hqk h TYR 397 N 0.99 0.78 -0.33 3.17 3.20 0.56 -1.79 116.97 123.54 3hqk h TYR 397 Ca 0.20 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3hqk h TYR 397 Cb 0.40 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3hqk h TYR 397 CO 0.03 0.54 0.08 0.00 -1.64 0.00 0.00 178.16 177.17 3hqk h ILE 399 N 0.38 0.94 0.21 0.00 2.04 -1.17 -2.09 117.51 117.82 3hqk h ILE 399 Ca 0.10 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3hqk h ILE 399 Cb 0.30 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3hqk h ILE 399 CO 0.00 0.15 -0.10 -0.50 0.00 0.00 0.00 178.15 177.71 3hqk h TRP 400 N 0.00 -0.26 -0.72 1.37 6.55 -1.13 -2.23 115.95 119.53 3hqk h TRP 400 Ca -0.00 -0.01 0.30 0.00 0.95 0.00 0.00 58.89 60.13 3hqk h TRP 400 Cb 0.31 0.09 -0.13 0.00 -0.86 0.00 0.00 29.16 28.57 3hqk h TRP 400 CO 0.00 -0.16 0.39 0.00 -1.05 0.00 0.00 178.44 177.62 3hqk n ALA 401 N -2.39 0.74 0.21 1.49 0.00 -0.87 0.18 120.51 119.86 3hqk n ALA 401 Ca -0.03 0.72 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 3hqk n ALA 401 Cb 0.11 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 3hqk n ALA 401 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqk h VAL 402 N 0.00 0.33 -0.68 0.00 2.07 -1.34 -2.41 116.25 114.23 3hqk h VAL 402 Ca 0.60 -0.58 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3hqk h VAL 402 Cb 1.61 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 3hqk h VAL 402 CO -0.53 0.07 0.21 0.40 0.02 0.00 0.00 177.57 177.73 3hqk h ILE 403 N -1.02 0.64 0.00 4.57 2.04 0.43 0.11 117.51 124.28 3hqk h ILE 403 Ca -0.06 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3hqk h ILE 403 Cb 0.55 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3hqk h ILE 403 CO 0.10 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3hqk n GLY 404 N -1.32 -0.26 3.49 5.37 0.00 0.48 -4.44 105.19 108.50 3hqk n GLY 404 Ca 0.12 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3hqk n GLY 404 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqk s SER 405 N -2.29 4.63 -0.25 1.61 0.01 0.36 -4.76 113.70 113.01 3hqk s SER 405 Ca 0.04 -0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.06 3hqk s SER 405 Cb 0.02 -1.64 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 3hqk s SER 405 CO 0.05 0.20 0.15 -0.83 0.41 0.00 0.00 173.24 173.23 3hqk s GLY 406 N 0.14 1.93 -0.06 3.44 0.00 -1.26 -4.85 107.32 106.65 3hqk s GLY 406 Ca -0.03 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3hqk s GLY 406 CO 0.03 0.49 -0.14 0.00 0.00 0.00 0.00 173.10 173.49 3hqk s ALA 407 N 1.36 1.35 0.00 3.20 0.00 -1.26 -3.39 121.76 123.02 3hqk s ALA 407 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3hqk s ALA 407 Cb -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3hqk s ALA 407 CO 0.07 0.15 0.00 1.63 0.00 0.00 0.00 175.76 177.60 3hqk n LYS 408 N 3.71 0.00 -0.25 0.00 5.02 -1.26 -4.41 118.16 120.97 3hqk n LYS 408 Ca -0.22 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.01 3hqk n LYS 408 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.58 3hqk n LYS 408 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hqk h GLU 409 N 0.00 0.98 -0.97 1.97 4.11 -1.95 -2.68 114.58 116.03 3hqk h GLU 409 Ca 0.00 -0.12 0.22 0.00 0.07 0.00 0.00 59.36 59.53 3hqk h GLU 409 Cb 0.00 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 28.98 3hqk h GLU 409 CO 0.00 0.75 0.63 0.28 0.07 0.00 0.00 179.01 180.73 3hqk h VAL 410 N 0.96 0.63 -0.93 -1.06 2.07 -1.82 0.40 116.25 116.49 3hqk h VAL 410 Ca 0.24 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3hqk h VAL 410 Cb 0.06 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 3hqk h VAL 410 CO -0.04 0.09 0.59 -0.03 0.02 0.00 0.00 177.57 178.20 3hqk h MET 411 N 0.48 1.25 -0.22 1.57 1.85 -1.68 -2.80 114.93 115.37 3hqk h MET 411 Ca 0.53 -0.09 -0.03 0.00 -0.61 0.00 0.00 59.70 59.50 3hqk h MET 411 Cb 1.23 -0.27 -0.01 0.00 0.43 0.00 0.00 31.60 32.98 3hqk h MET 411 CO -0.25 0.85 0.01 -1.49 -0.40 0.00 0.00 176.91 175.62 3hqk h TRP 412 N 1.28 0.42 -0.96 1.39 4.06 -0.27 0.48 115.95 122.36 3hqk h TRP 412 Ca 0.34 -0.07 0.17 0.00 2.06 0.00 0.00 58.89 61.39 3hqk h TRP 412 Cb -0.11 -0.11 -0.17 0.00 -1.00 0.00 0.00 29.16 27.77 3hqk h TRP 412 CO 0.00 0.55 -0.30 0.43 -3.56 0.00 0.00 178.44 175.57 3hqk n SER 413 N -4.68 -0.46 -0.30 -3.49 7.64 -0.99 0.77 113.62 112.11 3hqk n SER 413 Ca -0.04 1.65 -0.05 0.00 1.01 0.00 0.00 58.87 61.44 3hqk n SER 413 Cb 0.22 -0.45 0.07 0.00 -1.01 0.00 0.00 64.21 63.05 3hqk n SER 413 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3hqk h PHE 414 N 0.00 1.19 -0.12 1.43 3.04 -1.13 -2.14 116.94 119.22 3hqk h PHE 414 Ca 0.40 -0.07 -0.09 0.00 3.98 0.00 0.00 57.97 62.19 3hqk h PHE 414 Cb 0.64 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 3hqk h PHE 414 CO -0.78 0.87 -0.35 0.28 -2.02 0.00 0.00 178.31 176.31 3hqk h VAL 415 N 1.16 1.28 -0.42 1.41 2.07 0.20 -2.56 116.25 119.38 3hqk h VAL 415 Ca 0.28 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3hqk h VAL 415 Cb 0.15 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 3hqk h VAL 415 CO -0.03 0.41 -0.02 0.74 0.02 0.00 0.00 177.57 178.69 3hqk h THR 416 N 0.21 0.66 0.19 2.57 2.02 0.77 -2.19 112.91 117.14 3hqk h THR 416 Ca 0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hqk h THR 416 Cb 0.72 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3hqk h THR 416 CO 0.05 0.02 -0.10 -0.07 0.37 0.00 0.00 175.52 175.79 3hqk h LEU 417 N 0.08 -0.24 -0.87 2.58 3.38 -1.01 0.47 115.31 119.71 3hqk h LEU 417 Ca 0.21 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.42 3hqk h LEU 417 Cb 0.31 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.98 3hqk h LEU 417 CO -0.37 -0.16 0.18 0.24 0.09 0.00 0.00 178.44 178.42 3hqk h MET 418 N -0.27 0.16 0.52 1.13 2.86 -1.17 -0.87 114.93 117.29 3hqk h MET 418 Ca -0.02 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3hqk h MET 418 Cb 0.21 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.84 3hqk h MET 418 CO 0.04 0.11 -0.25 0.28 1.06 0.00 0.00 176.91 178.14 3hqk h VAL 419 N 0.16 0.00 -0.72 -2.22 2.07 -0.76 -2.55 116.25 112.24 3hqk h VAL 419 Ca 0.54 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.95 3hqk h VAL 419 Cb 1.08 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 3hqk h VAL 419 CO -0.69 0.00 -0.19 -0.38 0.02 0.00 0.00 177.57 176.33 3hqk n ILE 420 N -4.55 -0.31 0.24 4.57 2.08 0.09 0.12 119.36 121.60 3hqk n ILE 420 Ca -0.09 1.65 -0.15 0.00 0.56 0.00 0.00 62.75 64.72 3hqk n ILE 420 Cb 0.27 -2.27 -0.08 0.00 -0.75 0.00 0.00 39.64 36.81 3hqk n ILE 420 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3hqk h THR 421 N 0.00 0.56 -0.01 1.39 1.35 -1.17 0.19 112.91 115.23 3hqk h THR 421 Ca 0.34 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3hqk h THR 421 Cb 0.52 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3hqk h THR 421 CO -0.74 0.05 0.01 0.00 -0.25 0.00 0.00 175.52 174.59 3hqk h ALA 422 N -0.23 1.56 0.26 6.62 0.00 -0.51 0.76 119.26 127.73 3hqk h ALA 422 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hqk h ALA 422 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hqk h ALA 422 CO 0.10 -0.01 -0.15 1.25 0.00 0.00 0.00 179.25 180.44 3hqk h LEU 423 N 0.00 -0.37 -0.74 0.00 5.85 0.17 -2.68 115.31 117.54 3hqk h LEU 423 Ca 0.00 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.89 3hqk h LEU 423 Cb 0.02 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.01 3hqk h LEU 423 CO -0.00 -0.24 -0.19 0.22 -0.34 0.00 0.00 178.44 177.89 3hqk h TYR 424 N -0.38 -0.42 0.00 1.25 5.03 0.02 -1.86 116.97 120.61 3hqk h TYR 424 Ca -0.04 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3hqk h TYR 424 Cb 0.30 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.88 3hqk h TYR 424 CO 0.08 -0.32 0.00 0.00 -1.32 0.00 0.00 178.16 176.60 3hqk n ALA 425 N -3.23 1.59 0.01 1.82 0.00 0.20 -0.66 120.51 120.25 3hqk n ALA 425 Ca 0.10 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3hqk n ALA 425 Cb 0.38 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 3hqk n ALA 425 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hqk n LEU 426 N -1.63 0.05 -0.09 0.00 4.77 -0.74 -4.33 117.00 115.02 3hqk n LEU 426 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3hqk n LEU 426 Cb 0.16 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3hqk n LEU 426 CO 0.13 -0.00 -1.10 0.59 -1.33 0.00 0.00 177.39 175.68 3hqk n ASN 427 N -2.26 1.96 -1.93 -1.43 4.13 -0.52 -4.42 115.26 110.78 3hqk n ASN 427 Ca -0.04 -0.07 -0.23 0.00 1.68 0.00 0.00 54.58 55.93 3hqk n ASN 427 Cb 0.57 0.13 0.11 0.00 -1.54 0.00 0.00 39.78 39.05 3hqk n ASN 427 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3hqk n TYR 428 N -2.90 2.53 0.09 3.10 4.01 0.17 -4.72 117.16 119.43 3hqk n TYR 428 Ca -0.32 -2.28 0.06 0.00 -0.16 0.00 0.00 57.90 55.20 3hqk n TYR 428 Cb 0.93 -0.86 0.51 0.00 -0.31 0.00 0.00 39.34 39.60 3hqk n TYR 428 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 3hqk h ASN 429 N 1.62 0.29 0.00 7.72 -0.00 -1.76 -2.93 115.58 120.52 3hqk h ASN 429 Ca 0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.75 3hqk h ASN 429 Cb 1.54 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.79 3hqk h ASN 429 CO 1.00 0.21 0.00 0.54 -0.00 0.00 0.00 177.43 179.18 3hqk n ARG 430 N -4.50 5.08 0.00 6.67 1.74 -1.26 -4.45 116.66 119.94 3hqk n ARG 430 Ca 0.01 -0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 3hqk n ARG 430 Cb 0.09 -0.39 0.63 0.00 -1.02 0.00 0.00 32.46 31.77 3hqk n ARG 430 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3hqk n ILE 431 N -0.73 0.18 -3.23 0.55 5.41 -1.23 -4.87 119.36 115.44 3hqk n ILE 431 Ca 0.00 0.05 -0.39 0.00 1.00 0.00 0.00 62.75 63.41 3hqk n ILE 431 Cb 0.00 -0.66 -0.06 0.00 -0.71 0.00 0.00 39.64 38.22 3hqk n ILE 431 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3hqk s HIS 432 N -2.40 3.59 -0.46 1.39 2.46 -1.11 -5.05 115.29 113.72 3hqk s HIS 432 Ca 0.27 1.08 -0.16 0.00 0.47 0.00 0.00 55.06 56.71 3hqk s HIS 432 Cb 0.16 -2.61 0.05 0.00 -0.13 0.00 0.00 32.58 30.05 3hqk s HIS 432 CO 0.34 0.23 0.42 0.15 -2.47 0.00 0.00 174.74 173.42 3hqk s LYS 433 N 0.31 3.02 -1.02 2.88 1.02 -1.26 -5.02 119.74 119.67 3hqk s LYS 433 Ca 0.30 -1.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.03 3hqk s LYS 433 Cb -0.17 -4.07 0.17 0.00 -0.52 0.00 0.00 37.83 33.24 3hqk s LYS 433 CO 0.14 -0.98 1.17 -0.80 -0.92 0.00 0.00 175.35 173.97 3hqk s ASN 434 N 2.30 6.86 -0.33 2.83 -0.87 -1.26 -5.01 114.94 119.47 3hqk s ASN 434 Ca 0.07 -2.59 -0.28 0.00 -1.57 0.00 0.00 52.86 48.50 3hqk s ASN 434 Cb -0.21 -2.35 0.01 0.00 -0.02 0.00 0.00 41.25 38.68 3hqk s ASN 434 CO 0.09 -0.82 1.02 -2.16 -2.57 0.00 0.00 177.10 172.66 3hqk s PRO 435 N 1.59 4.02 -0.28 -0.60 0.04 -1.26 0.30 135.00 138.80 3hqk s PRO 435 Ca 0.34 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 3hqk s PRO 435 Cb -0.05 -3.75 0.04 0.00 0.04 0.00 0.00 34.50 30.78 3hqk s PRO 435 CO -0.06 -0.88 -0.03 0.71 0.04 0.00 0.00 177.00 176.77 3hqk s TYR 436 N 3.55 3.19 0.87 0.56 4.12 -1.26 -5.17 117.35 123.21 3hqk s TYR 436 Ca 0.43 -1.78 -0.15 0.00 0.02 0.00 0.00 57.07 55.58 3hqk s TYR 436 Cb -0.12 -2.08 -0.03 0.00 -1.52 0.00 0.00 41.96 38.21 3hqk s TYR 436 CO 0.16 -0.78 0.17 -2.30 0.02 0.00 0.00 175.55 172.82 3hqk n PRO 437 N 4.63 -0.04 -1.74 -1.71 -0.02 0.15 -5.00 135.00 131.27 3hqk n PRO 437 Ca -0.14 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.06 3hqk n PRO 437 Cb 0.45 -1.63 0.08 0.00 -0.02 0.00 0.00 33.50 32.37 3hqk n PRO 437 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hqk s LEU 438 N 1.31 2.61 0.27 2.45 1.43 -1.26 -4.97 118.68 120.51 3hqk s LEU 438 Ca 0.56 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3hqk s LEU 438 Cb -0.26 -3.71 0.34 0.00 0.03 0.00 0.00 46.19 42.59 3hqk s LEU 438 CO 0.68 -1.81 1.91 0.44 0.23 0.00 0.00 176.35 177.79 3hqk h ASP 439 N -0.98 1.01 -4.71 2.29 3.32 -2.04 -3.49 116.42 111.81 3hqk h ASP 439 Ca -0.47 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3hqk h ASP 439 Cb 1.28 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3hqk h ASP 439 CO 0.63 0.78 0.00 0.00 -1.72 0.00 0.00 179.24 178.93 3hqk n ALA 440 N -2.41 0.00 0.44 3.45 0.00 -1.26 -5.35 120.51 115.37 3hqk n ALA 440 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.56 3hqk n ALA 440 Cb 0.07 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.73 3hqk n ALA 440 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20