#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3w s SER 15 N 0.00 6.40 0.55 -1.12 0.15 -1.26 -4.95 113.70 113.47 2x3w s SER 15 Ca 0.00 1.74 0.24 0.00 0.70 0.00 0.00 55.95 58.62 2x3w s SER 15 Cb 0.00 -2.53 1.54 0.00 -1.71 0.00 0.00 66.02 63.32 2x3w s SER 15 CO 0.00 -0.74 2.18 0.15 1.20 0.00 0.00 173.24 176.03 2x3w h PHE 16 N 1.12 0.00 0.00 3.44 3.57 -2.01 -1.38 116.94 121.68 2x3w h PHE 16 Ca -0.48 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 2x3w h PHE 16 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2x3w h PHE 16 CO 0.60 0.03 -0.16 -1.49 -2.23 0.00 0.00 178.31 175.07 2x3w h TRP 17 N 0.00 0.00 -2.46 0.41 4.06 -1.92 -3.39 115.95 112.65 2x3w h TRP 17 Ca -0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 2x3w h TRP 17 Cb 0.07 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.25 2x3w h TRP 17 CO 0.00 0.16 1.17 -1.21 -3.56 0.00 0.00 178.44 175.00 2x3w s GLU 18 N -3.51 4.15 -0.36 0.49 0.41 -0.52 -4.82 118.70 114.53 2x3w s GLU 18 Ca 0.02 2.54 -0.34 0.00 -0.41 0.00 0.00 54.97 56.78 2x3w s GLU 18 Cb 0.09 -3.97 -0.14 0.00 -1.78 0.00 0.00 34.13 28.32 2x3w s GLU 18 CO 0.63 -0.90 1.25 0.28 -0.49 0.00 0.00 175.26 176.03 2x3w n VAL 19 N 5.31 0.00 0.00 2.63 0.31 -1.26 -0.91 118.33 124.41 2x3w n VAL 19 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2x3w n VAL 19 Cb 0.41 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2x3w n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x3w n GLY 20 N 3.47 2.06 0.94 2.92 0.00 -1.26 -4.95 105.19 108.36 2x3w n GLY 20 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2x3w n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x3w n ASN 21 N 0.00 2.53 -0.50 1.61 3.02 -0.08 -2.80 115.26 119.05 2x3w n ASN 21 Ca 0.00 -1.83 0.13 0.00 -0.03 0.00 0.00 54.58 52.85 2x3w n ASN 21 Cb 0.00 -0.46 0.33 0.00 -0.61 0.00 0.00 39.78 39.04 2x3w n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x3w n TYR 22 N 0.49 0.00 0.20 3.10 0.18 -1.26 -4.41 117.16 115.45 2x3w n TYR 22 Ca 0.00 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.82 2x3w n TYR 22 Cb 0.43 -0.04 0.19 0.00 -0.38 0.00 0.00 39.34 39.55 2x3w n TYR 22 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 2x3w n LYS 23 N 0.11 0.03 0.06 -3.48 2.85 -1.12 -1.76 118.16 114.85 2x3w n LYS 23 Ca 0.15 0.43 0.11 0.00 -1.05 0.00 0.00 58.31 57.95 2x3w n LYS 23 Cb 0.41 -1.58 -0.06 0.00 -0.65 0.00 0.00 35.03 33.16 2x3w n LYS 23 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2x3w n ARG 24 N -1.64 0.62 0.08 -1.58 0.00 -1.26 -2.41 116.66 110.49 2x3w n ARG 24 Ca 0.01 0.02 -0.09 0.00 -0.00 0.00 0.00 57.85 57.79 2x3w n ARG 24 Cb 0.07 -1.72 -0.02 0.00 -0.00 0.00 0.00 32.46 30.78 2x3w n ARG 24 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2x3w h THR 25 N 0.00 1.50 0.25 8.89 2.02 -1.66 -2.88 112.91 121.02 2x3w h THR 25 Ca -0.01 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.49 2x3w h THR 25 Cb 1.02 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2x3w h THR 25 CO 0.00 0.78 -0.12 0.58 0.37 0.00 0.00 175.52 177.13 2x3w h VAL 26 N 0.11 0.72 -0.92 3.16 2.07 -1.61 -3.13 116.25 116.65 2x3w h VAL 26 Ca -0.05 -0.83 0.23 0.00 0.82 0.00 0.00 66.70 66.88 2x3w h VAL 26 Cb 1.55 1.13 -0.13 0.00 -1.52 0.00 0.00 31.29 32.32 2x3w h VAL 26 CO 0.14 0.15 0.43 0.50 0.02 0.00 0.00 177.57 178.82 2x3w h LYS 27 N -0.82 0.41 -1.01 1.57 3.64 -1.57 0.91 116.57 119.69 2x3w h LYS 27 Ca -0.03 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.56 2x3w h LYS 27 Cb 0.51 -0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.12 2x3w h LYS 27 CO 0.06 0.27 0.60 -0.09 -2.27 0.00 0.00 179.45 178.02 2x3w h ARG 28 N 0.42 0.58 -0.41 1.90 1.12 -1.44 0.13 114.38 116.67 2x3w h ARG 28 Ca 0.58 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.47 2x3w h ARG 28 Cb 1.13 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 30.91 2x3w h ARG 28 CO -0.53 0.38 0.14 0.82 -3.11 0.00 0.00 179.97 177.67 2x3w h ILE 29 N 0.60 0.87 -0.81 1.20 2.04 -0.87 -1.78 117.51 118.76 2x3w h ILE 29 Ca 0.63 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 66.38 2x3w h ILE 29 Cb 1.20 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2x3w h ILE 29 CO -0.45 0.05 0.45 0.44 0.00 0.00 0.00 178.15 178.64 2x3w h ASP 30 N 0.30 1.00 -0.44 1.72 3.32 -0.84 -2.78 116.42 118.70 2x3w h ASP 30 Ca 0.19 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2x3w h ASP 30 Cb 0.18 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2x3w h ASP 30 CO -0.20 0.81 0.22 0.44 -1.72 0.00 0.00 179.24 178.79 2x3w h ASP 31 N 1.12 0.32 -0.66 6.45 3.45 -0.87 -2.42 116.42 123.81 2x3w h ASP 31 Ca 0.28 0.02 0.13 0.00 0.43 0.00 0.00 57.03 57.89 2x3w h ASP 31 Cb 0.02 -0.04 -0.13 0.00 -0.56 0.00 0.00 39.33 38.63 2x3w h ASP 31 CO -0.05 0.23 -0.24 1.23 -1.57 0.00 0.00 179.24 178.84 2x3w h GLY 32 N 0.44 0.26 0.29 2.75 0.00 -1.05 -0.63 103.07 105.13 2x3w h GLY 32 Ca 0.19 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.85 2x3w h GLY 32 CO -0.13 -0.24 -0.44 0.84 0.00 0.00 0.00 176.54 176.57 2x3w h HIS 33 N -0.06 -1.23 -0.89 5.60 -0.00 -1.41 -2.27 115.15 114.89 2x3w h HIS 33 Ca 0.30 0.03 0.19 0.00 -0.00 0.00 0.00 60.37 60.89 2x3w h HIS 33 Cb 0.53 0.52 -0.11 0.00 -0.00 0.00 0.00 27.41 28.35 2x3w h HIS 33 CO -0.60 -0.54 0.44 -0.09 -0.00 0.00 0.00 177.93 177.14 2x3w h ARG 34 N -0.69 0.50 -0.16 5.26 2.43 -0.97 -1.23 114.38 119.51 2x3w h ARG 34 Ca 0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2x3w h ARG 34 Cb 0.70 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2x3w h ARG 34 CO -0.23 0.33 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.44 2x3w h LEU 35 N 0.52 -0.17 -0.79 3.80 -0.00 -0.58 -1.71 115.31 116.38 2x3w h LEU 35 Ca 0.53 0.05 0.17 0.00 -0.00 0.00 0.00 57.88 58.64 2x3w h LEU 35 Cb 0.92 0.11 -0.11 0.00 -0.00 0.00 0.00 40.66 41.57 2x3w h LEU 35 CO -0.46 -0.06 0.26 0.00 -0.00 0.00 0.00 178.44 178.18 2x3w h ASN 37 N 0.34 0.17 -0.38 0.00 2.35 -1.22 -1.84 115.58 115.01 2x3w h ASN 37 Ca 0.46 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.16 2x3w h ASN 37 Cb 0.79 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 2x3w h ASN 37 CO -0.50 0.18 0.25 0.44 -1.65 0.00 0.00 177.43 176.15 2x3w h ASP 38 N 0.15 0.40 -0.55 5.81 3.32 -0.29 -0.40 116.42 124.87 2x3w h ASP 38 Ca 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2x3w h ASP 38 Cb 0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2x3w h ASP 38 CO -0.01 0.29 0.10 0.25 -1.72 0.00 0.00 179.24 178.15 2x3w h LEU 39 N 0.47 0.86 -0.64 1.55 7.12 -0.44 -1.58 115.31 122.66 2x3w h LEU 39 Ca 0.14 -0.25 -0.14 0.00 0.13 0.00 0.00 57.88 57.76 2x3w h LEU 39 Cb 0.00 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 39.89 2x3w h LEU 39 CO -0.03 0.89 -0.52 0.24 -0.13 0.00 0.00 178.44 178.90 2x3w h MET 40 N 0.80 0.43 -0.36 1.25 2.86 -0.36 -1.99 114.93 117.55 2x3w h MET 40 Ca 0.17 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 2x3w h MET 40 Cb 0.39 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2x3w h MET 40 CO 0.01 0.84 -0.13 0.77 1.06 0.00 0.00 176.91 179.46 2x3w h SER 41 N 0.34 0.75 -0.56 1.22 0.02 -0.99 -0.12 113.55 114.21 2x3w h SER 41 Ca 0.01 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2x3w h SER 41 Cb 1.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2x3w h SER 41 CO 0.09 0.96 0.36 0.00 -1.14 0.00 0.00 176.83 177.11 2x3w h VAL 43 N 0.73 1.56 -0.40 0.00 3.04 -1.24 -2.62 116.25 117.32 2x3w h VAL 43 Ca 0.21 -3.04 -0.04 0.00 -1.01 0.00 0.00 66.70 62.82 2x3w h VAL 43 Cb -0.06 2.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.87 2x3w h VAL 43 CO -0.06 0.85 0.08 -0.61 -1.01 0.00 0.00 177.57 176.82 2x3w h GLN 44 N 0.00 0.65 -0.51 4.17 4.15 -0.82 -1.71 115.11 121.05 2x3w h GLN 44 Ca -0.01 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.13 2x3w h GLN 44 Cb 1.60 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.19 2x3w h GLN 44 CO 0.11 0.69 -0.13 0.93 -1.93 0.00 0.00 178.83 178.51 2x3w h GLU 45 N 0.51 0.97 -0.80 1.69 5.08 -1.17 -2.03 114.58 118.83 2x3w h GLU 45 Ca 0.12 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2x3w h GLU 45 Cb 0.35 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2x3w h GLU 45 CO 0.01 1.03 0.42 -0.09 -1.00 0.00 0.00 179.01 179.37 2x3w h ARG 46 N 0.86 1.13 -0.86 2.33 9.65 -1.45 -1.84 114.38 124.20 2x3w h ARG 46 Ca 0.13 -0.15 0.11 0.00 -1.10 0.00 0.00 59.98 58.97 2x3w h ARG 46 Cb 0.68 -0.21 -0.08 0.00 -1.39 0.00 0.00 29.97 28.97 2x3w h ARG 46 CO 0.05 0.85 0.49 0.00 2.80 0.00 0.00 179.97 184.17 2x3w h ALA 47 N 1.22 1.25 -0.50 2.80 0.00 -0.80 -1.81 119.26 121.42 2x3w h ALA 47 Ca 0.28 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2x3w h ALA 47 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2x3w h ALA 47 CO -0.04 0.09 -0.17 -0.22 0.00 0.00 0.00 179.25 178.91 2x3w h LYS 48 N 0.80 1.00 -0.75 0.00 3.64 -0.72 -2.06 116.57 118.48 2x3w h LYS 48 Ca 0.43 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2x3w h LYS 48 Cb 0.43 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2x3w h LYS 48 CO -0.27 1.09 0.50 0.82 -2.27 0.00 0.00 179.45 179.32 2x3w h ILE 49 N 0.87 1.19 -0.21 2.00 2.04 -0.73 -1.39 117.51 121.28 2x3w h ILE 49 Ca 0.12 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 2x3w h ILE 49 Cb 0.74 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2x3w h ILE 49 CO 0.06 0.19 -0.26 -0.33 0.00 0.00 0.00 178.15 177.80 2x3w h GLU 50 N 1.02 0.40 -0.06 2.37 4.39 -1.09 -2.94 114.58 118.67 2x3w h GLU 50 Ca 0.28 -0.15 -0.17 0.00 0.34 0.00 0.00 59.36 59.66 2x3w h GLU 50 Cb -0.12 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2x3w h GLU 50 CO -0.06 0.64 -0.70 -0.22 -1.16 0.00 0.00 179.01 177.50 2x3w h LYS 51 N 0.36 0.31 0.17 2.33 3.64 -0.80 -2.49 116.57 120.10 2x3w h LYS 51 Ca 0.05 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2x3w h LYS 51 Cb 0.65 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2x3w h LYS 51 CO 0.05 0.89 -0.08 0.00 -2.27 0.00 0.00 179.45 178.04 2x3w h ALA 52 N 1.03 -0.23 0.31 5.00 0.00 -1.10 -1.40 119.26 122.87 2x3w h ALA 52 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2x3w h ALA 52 Cb 1.26 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2x3w h ALA 52 CO 0.11 -0.59 -0.39 -0.92 0.00 0.00 0.00 179.25 177.47 2x3w h TYR 53 N -0.31 -1.07 -0.91 0.00 -0.00 -1.56 -1.42 116.97 111.70 2x3w h TYR 53 Ca -0.02 0.01 0.23 0.00 -0.00 0.00 0.00 58.73 58.95 2x3w h TYR 53 Cb 0.24 0.43 -0.13 0.00 -0.00 0.00 0.00 36.73 37.27 2x3w h TYR 53 CO -0.04 -0.53 0.42 0.00 -0.00 0.00 0.00 178.16 178.01 2x3w h ALA 54 N -0.32 1.50 -0.69 1.82 0.00 -1.41 -0.14 119.26 120.01 2x3w h ALA 54 Ca -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2x3w h ALA 54 Cb 0.70 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2x3w h ALA 54 CO -0.11 -0.35 0.28 0.37 0.00 0.00 0.00 179.25 179.44 2x3w h GLN 55 N 0.41 1.03 -0.06 0.00 4.15 -0.42 -1.70 115.11 118.51 2x3w h GLN 55 Ca 0.58 -0.18 -0.15 0.00 0.77 0.00 0.00 58.65 59.67 2x3w h GLN 55 Cb 1.11 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 2x3w h GLN 55 CO -0.53 0.85 -0.62 1.96 -1.93 0.00 0.00 178.83 178.56 2x3w h GLN 56 N 0.98 0.23 -0.38 1.69 4.20 -0.04 -2.76 115.11 119.03 2x3w h GLN 56 Ca 0.23 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2x3w h GLN 56 Cb 0.20 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2x3w h GLN 56 CO -0.02 0.77 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.58 2x3w h LEU 57 N 0.17 0.80 -0.33 1.46 3.38 -0.91 -2.06 115.31 117.82 2x3w h LEU 57 Ca -0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2x3w h LEU 57 Cb 1.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2x3w h LEU 57 CO 0.10 1.02 0.15 0.74 0.09 0.00 0.00 178.44 180.54 2x3w h THR 58 N 0.67 1.16 -0.21 0.22 2.02 -1.20 -1.00 112.91 114.58 2x3w h THR 58 Ca 0.08 -0.48 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 2x3w h THR 58 Cb 0.79 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2x3w h THR 58 CO 0.06 0.17 -0.44 0.44 0.37 0.00 0.00 175.52 176.13 2x3w h ASP 59 N 0.39 0.55 -0.38 4.18 3.32 -1.42 -1.15 116.42 121.92 2x3w h ASP 59 Ca 0.11 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2x3w h ASP 59 Cb 0.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2x3w h ASP 59 CO -0.01 0.92 0.15 -0.25 -1.72 0.00 0.00 179.24 178.32 2x3w h TRP 60 N 0.41 0.58 -0.76 4.55 7.01 -1.25 -0.36 115.95 126.14 2x3w h TRP 60 Ca 0.03 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.03 2x3w h TRP 60 Cb 0.94 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.78 2x3w h TRP 60 CO 0.03 0.52 0.47 0.00 -2.79 0.00 0.00 178.44 176.68 2x3w h ALA 61 N 0.99 1.00 0.08 2.65 0.00 -0.99 -1.64 119.26 121.36 2x3w h ALA 61 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x3w h ALA 61 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x3w h ALA 61 CO -0.01 0.23 -0.04 -0.22 0.00 0.00 0.00 179.25 179.21 2x3w h LYS 62 N 0.89 -0.10 -0.03 0.00 3.64 -0.96 -1.71 116.57 118.30 2x3w h LYS 62 Ca 0.31 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2x3w h LYS 62 Cb 0.07 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2x3w h LYS 62 CO -0.13 0.14 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.02 2x3w h ARG 63 N -0.33 -0.12 0.00 1.90 2.43 -0.94 -2.99 114.38 114.33 2x3w h ARG 63 Ca -0.01 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2x3w h ARG 63 Cb 0.29 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2x3w h ARG 63 CO 0.02 -0.08 -0.73 -1.49 -1.51 0.00 0.00 179.97 176.18 2x3w h TRP 64 N -0.12 0.00 -0.72 2.20 4.06 -1.35 -2.95 115.95 117.08 2x3w h TRP 64 Ca 0.04 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.04 2x3w h TRP 64 Cb 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.28 2x3w h TRP 64 CO -0.16 0.73 0.42 -0.09 -3.56 0.00 0.00 178.44 175.79 2x3w h ARG 65 N 0.00 0.76 0.38 0.49 2.43 -1.23 -1.40 114.38 115.81 2x3w h ARG 65 Ca -0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2x3w h ARG 65 Cb 1.57 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2x3w h ARG 65 CO 0.10 0.51 -0.18 0.37 -1.51 0.00 0.00 179.97 179.25 2x3w h GLN 66 N 0.79 -0.50 -0.90 0.20 4.15 -1.46 -1.38 115.11 116.01 2x3w h GLN 66 Ca 0.31 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.91 2x3w h GLN 66 Cb 0.15 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.86 2x3w h GLN 66 CO -0.16 -0.18 0.51 -0.07 -1.93 0.00 0.00 178.83 176.99 2x3w h LEU 67 N -0.86 0.66 0.59 -2.39 4.07 -1.47 -2.23 115.31 113.68 2x3w h LEU 67 Ca -0.05 0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 2x3w h LEU 67 Cb 0.54 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 42.25 2x3w h LEU 67 CO 0.09 0.30 -0.28 0.40 -1.08 0.00 0.00 178.44 177.86 2x3w h ILE 68 N 0.74 0.32 -0.69 1.22 2.04 -1.25 -1.30 117.51 118.60 2x3w h ILE 68 Ca 0.48 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 2x3w h ILE 68 Cb 0.63 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2x3w h ILE 68 CO -0.33 0.03 0.32 -0.33 0.00 0.00 0.00 178.15 177.84 2x3w h GLU 69 N -0.99 0.99 0.00 2.37 5.08 -0.79 -1.91 114.58 119.32 2x3w h GLU 69 Ca -0.08 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2x3w h GLU 69 Cb 0.66 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2x3w h GLU 69 CO 0.13 0.77 -0.90 1.57 -1.00 0.00 0.00 179.01 179.58 2x3w h LYS 70 N 0.98 0.00 0.00 2.33 2.10 -1.54 -3.47 116.57 116.97 2x3w h LYS 70 Ca 0.24 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.72 2x3w h LYS 70 Cb 0.12 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.55 2x3w h LYS 70 CO -0.03 0.30 -0.08 0.41 -2.00 0.00 0.00 179.45 178.04 2x3w n GLY 71 N 1.28 -3.47 0.13 0.07 0.00 -0.49 -4.94 105.19 97.77 2x3w n GLY 71 Ca -0.03 -1.13 0.13 0.00 0.00 0.00 0.00 46.02 44.99 2x3w n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x3w n PRO 72 N -3.45 0.45 -2.08 1.61 -0.04 -1.26 -4.88 135.00 125.34 2x3w n PRO 72 Ca 0.07 -0.26 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 2x3w n PRO 72 Cb 0.28 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2x3w n PRO 72 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2x3w s GLN 73 N -2.73 3.88 0.27 0.54 2.00 -1.26 -5.03 119.66 117.32 2x3w s GLN 73 Ca 0.18 2.08 0.03 0.00 -2.00 0.00 0.00 55.36 55.65 2x3w s GLN 73 Cb 0.18 -2.66 -0.04 0.00 0.80 0.00 0.00 33.01 31.30 2x3w s GLN 73 CO 0.60 -0.54 0.20 1.52 -0.50 0.00 0.00 175.29 176.58 2x3w s TYR 74 N -1.32 1.46 0.00 1.67 -0.85 -1.26 -4.87 117.35 112.18 2x3w s TYR 74 Ca 0.59 -1.52 0.00 0.00 -0.52 0.00 0.00 57.07 55.62 2x3w s TYR 74 Cb -0.36 -0.64 0.00 0.00 0.38 0.00 0.00 41.96 41.34 2x3w s TYR 74 CO 0.46 -0.75 0.00 0.41 -1.52 0.00 0.00 175.55 174.15 2x3w n GLY 75 N -0.45 0.74 0.21 5.49 0.00 -1.26 -3.01 105.19 106.91 2x3w n GLY 75 Ca 0.05 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.38 2x3w n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x3w h SER 76 N 2.11 0.00 0.57 1.61 4.64 -1.95 -1.65 113.55 118.88 2x3w h SER 76 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2x3w h SER 76 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2x3w h SER 76 CO 0.00 0.00 -0.72 0.25 -0.87 0.00 0.00 176.83 175.49 2x3w h LEU 77 N 0.00 0.15 -0.50 5.97 7.12 -1.94 -1.10 115.31 125.02 2x3w h LEU 77 Ca 0.00 -0.10 -0.11 0.00 0.13 0.00 0.00 57.88 57.79 2x3w h LEU 77 Cb 0.62 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 2x3w h LEU 77 CO 0.00 0.82 -0.13 -0.08 -0.13 0.00 0.00 178.44 178.92 2x3w h GLU 78 N 0.08 0.96 -0.20 1.25 4.81 -1.22 -2.06 114.58 118.21 2x3w h GLU 78 Ca -0.02 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2x3w h GLU 78 Cb 1.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2x3w h GLU 78 CO 0.10 1.04 0.07 0.00 -0.73 0.00 0.00 179.01 179.49 2x3w h ARG 79 N 0.82 0.30 -0.56 1.92 3.08 -1.32 -0.36 114.38 118.26 2x3w h ARG 79 Ca 0.12 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2x3w h ARG 79 Cb 0.69 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2x3w h ARG 79 CO 0.05 0.40 0.37 0.00 -1.07 0.00 0.00 179.97 179.72 2x3w h ALA 80 N 0.89 0.71 -0.44 0.04 0.00 -1.17 -0.93 119.26 118.36 2x3w h ALA 80 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2x3w h ALA 80 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2x3w h ALA 80 CO -0.00 0.15 -0.13 2.35 0.00 0.00 0.00 179.25 181.62 2x3w h TRP 81 N 0.76 0.91 0.00 0.00 7.01 -1.29 -2.60 115.95 120.75 2x3w h TRP 81 Ca 0.21 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2x3w h TRP 81 Cb -0.09 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.74 2x3w h TRP 81 CO -0.04 0.90 -0.05 0.78 -2.79 0.00 0.00 178.44 177.24 2x3w h GLY 82 N 0.97 0.00 2.00 2.65 0.00 -0.42 -2.48 103.07 105.78 2x3w h GLY 82 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2x3w h GLY 82 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 2x3w h ALA 83 N 1.95 1.00 0.00 3.60 0.00 -0.78 -2.19 119.26 122.84 2x3w h ALA 83 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2x3w h ALA 83 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2x3w h ALA 83 CO 0.01 0.00 -0.57 1.98 0.00 0.00 0.00 179.25 180.67 2x3w h MET 84 N 0.00 0.00 0.00 0.00 -1.53 -1.51 -2.08 114.93 109.81 2x3w h MET 84 Ca 0.00 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 2x3w h MET 84 Cb 0.55 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.60 2x3w h MET 84 CO 0.00 0.57 -0.13 0.52 0.14 0.00 0.00 176.91 178.01 2x3w h MET 85 N 0.00 0.00 0.10 0.39 2.86 -1.53 -2.61 114.93 114.14 2x3w h MET 85 Ca -0.01 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 2x3w h MET 85 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2x3w h MET 85 CO 0.07 0.13 -1.49 1.79 1.06 0.00 0.00 176.91 178.48 2x3w h THR 86 N 0.00 1.19 -0.39 2.22 1.35 -1.41 -2.48 112.91 113.39 2x3w h THR 86 Ca -0.00 -2.85 0.02 0.00 -0.55 0.00 0.00 66.41 63.03 2x3w h THR 86 Cb 0.64 2.76 -0.03 0.00 -1.73 0.00 0.00 68.15 69.79 2x3w h THR 86 CO 0.02 0.81 0.23 1.05 -0.25 0.00 0.00 175.52 177.38 2x3w h GLU 87 N 0.06 0.45 -0.60 4.72 -0.00 -1.38 -0.12 114.58 117.73 2x3w h GLU 87 Ca -0.22 -0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.19 2x3w h GLU 87 Cb 2.00 -0.10 -0.07 0.00 -0.00 0.00 0.00 28.75 30.58 2x3w h GLU 87 CO 0.16 0.30 0.24 0.00 -0.00 0.00 0.00 179.01 179.70 2x3w h ALA 88 N 1.18 0.77 -0.61 1.06 0.00 -1.50 0.14 119.26 120.30 2x3w h ALA 88 Ca 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2x3w h ALA 88 Cb 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2x3w h ALA 88 CO -0.07 -0.17 0.06 -0.44 0.00 0.00 0.00 179.25 178.63 2x3w h ASP 89 N 0.43 0.98 -0.15 0.00 3.45 -0.96 -1.26 116.42 118.91 2x3w h ASP 89 Ca 0.29 -0.24 -0.13 0.00 0.43 0.00 0.00 57.03 57.38 2x3w h ASP 89 Cb 0.34 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 2x3w h ASP 89 CO -0.28 1.00 -0.42 0.11 -1.57 0.00 0.00 179.24 178.08 2x3w h LYS 90 N 0.94 0.55 -0.28 3.56 1.79 -0.30 -1.87 116.57 120.97 2x3w h LYS 90 Ca 0.18 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2x3w h LYS 90 Cb 0.46 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2x3w h LYS 90 CO 0.02 1.01 0.08 0.28 -1.08 0.00 0.00 179.45 179.76 2x3w h VAL 91 N 0.18 1.13 -0.02 0.50 2.07 -0.70 -2.10 116.25 117.30 2x3w h VAL 91 Ca -0.01 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2x3w h VAL 91 Cb 1.04 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2x3w h VAL 91 CO 0.09 0.15 0.01 -1.28 0.02 0.00 0.00 177.57 176.56 2x3w h SER 92 N 0.39 0.03 -0.78 0.57 0.87 -1.07 -2.75 113.55 110.82 2x3w h SER 92 Ca 0.10 -0.18 0.13 0.00 -1.23 0.00 0.00 61.79 60.60 2x3w h SER 92 Cb 0.13 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 2x3w h SER 92 CO -0.01 0.21 0.51 -0.08 -0.53 0.00 0.00 176.83 176.93 2x3w h GLU 93 N -0.15 0.53 -0.21 2.24 4.81 -0.76 -2.04 114.58 119.01 2x3w h GLU 93 Ca 0.01 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 2x3w h GLU 93 Cb 0.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2x3w h GLU 93 CO -0.00 0.35 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.00 2x3w h LEU 94 N 0.55 0.85 -1.42 1.64 3.38 -1.19 -2.73 115.31 116.40 2x3w h LEU 94 Ca 0.38 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2x3w h LEU 94 Cb 0.71 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2x3w h LEU 94 CO -0.14 1.28 -0.20 0.45 0.09 0.00 0.00 178.44 179.92 2x3w h HIS 95 N 0.47 0.00 -0.07 1.13 3.86 -1.16 -1.39 115.15 117.98 2x3w h HIS 95 Ca -0.01 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 2x3w h HIS 95 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2x3w h HIS 95 CO 0.09 0.20 -0.41 1.96 0.86 0.00 0.00 177.93 180.63 2x3w h GLN 96 N 0.00 0.16 -0.09 2.45 1.08 -1.22 -2.08 115.11 115.41 2x3w h GLN 96 Ca -0.00 -0.07 -0.21 0.00 -1.45 0.00 0.00 58.65 56.92 2x3w h GLN 96 Cb 0.60 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2x3w h GLN 96 CO 0.03 0.55 -0.80 0.93 -0.95 0.00 0.00 178.83 178.59 2x3w h GLU 97 N 0.13 0.55 -0.19 1.46 5.08 -0.98 -0.29 114.58 120.35 2x3w h GLU 97 Ca 0.01 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2x3w h GLU 97 Cb 0.79 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2x3w h GLU 97 CO 0.06 1.11 0.03 0.28 -1.00 0.00 0.00 179.01 179.49 2x3w h VAL 98 N 0.36 0.91 -0.25 3.13 2.07 -1.26 0.13 116.25 121.33 2x3w h VAL 98 Ca -0.05 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2x3w h VAL 98 Cb 1.41 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2x3w h VAL 98 CO 0.15 0.02 0.15 0.50 0.02 0.00 0.00 177.57 178.41 2x3w h LYS 99 N 0.10 0.34 -0.36 1.57 3.64 -1.30 -0.32 116.57 120.24 2x3w h LYS 99 Ca 0.08 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2x3w h LYS 99 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2x3w h LYS 99 CO -0.12 0.27 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.37 2x3w h ASN 100 N 0.32 0.56 -0.23 4.20 2.35 -0.84 -2.30 115.58 119.63 2x3w h ASN 100 Ca 0.09 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2x3w h ASN 100 Cb 0.01 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2x3w h ASN 100 CO -0.02 0.67 -0.05 0.28 -1.65 0.00 0.00 177.43 176.66 2x3w h SER 101 N 0.55 0.45 -0.60 5.81 0.02 -0.48 -0.98 113.55 118.33 2x3w h SER 101 Ca 0.11 -0.36 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2x3w h SER 101 Cb 0.43 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2x3w h SER 101 CO 0.02 0.71 0.32 -0.07 -1.14 0.00 0.00 176.83 176.67 2x3w h LEU 102 N 0.19 0.47 0.00 5.07 4.07 -0.80 -1.32 115.31 122.99 2x3w h LEU 102 Ca 0.06 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 2x3w h LEU 102 Cb 0.51 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2x3w h LEU 102 CO 0.02 0.31 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.31 2x3w h LEU 103 N 0.61 0.00 -0.83 1.67 3.38 -1.46 0.18 115.31 118.85 2x3w h LEU 103 Ca 0.27 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 2x3w h LEU 103 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2x3w h LEU 103 CO -0.17 0.94 -0.53 0.78 0.09 0.00 0.00 178.44 179.55 2x3w h ASN 104 N -1.00 0.00 0.00 -0.43 2.35 -1.24 -2.94 115.58 112.32 2x3w h ASN 104 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2x3w h ASN 104 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2x3w h ASN 104 CO -0.04 0.53 -0.08 -0.62 -1.65 0.00 0.00 177.43 175.57 2x3w n GLU 105 N -3.72 0.04 0.23 0.81 1.02 -0.55 -4.53 120.64 113.93 2x3w n GLU 105 Ca -0.01 0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.99 2x3w n GLU 105 Cb 0.57 -0.43 -0.08 0.00 -0.02 0.00 0.00 31.44 31.48 2x3w n GLU 105 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2x3w h ASP 106 N -0.08 -0.99 0.14 1.62 3.32 -1.39 -0.83 116.42 118.20 2x3w h ASP 106 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2x3w h ASP 106 Cb 0.08 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2x3w h ASP 106 CO 0.00 -0.51 -0.34 0.25 -1.72 0.00 0.00 179.24 176.92 2x3w h LEU 107 N -0.75 -0.97 -0.68 1.55 7.12 -0.72 -2.85 115.31 118.00 2x3w h LEU 107 Ca -0.02 0.11 0.11 0.00 0.13 0.00 0.00 57.88 58.21 2x3w h LEU 107 Cb 0.68 0.37 -0.08 0.00 -0.53 0.00 0.00 40.66 41.09 2x3w h LEU 107 CO -0.07 -0.43 0.27 -0.33 -0.13 0.00 0.00 178.44 177.75 2x3w h GLU 108 N -0.58 0.43 -0.78 1.25 4.39 -1.35 -1.82 114.58 116.12 2x3w h GLU 108 Ca 0.03 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2x3w h GLU 108 Cb 0.60 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2x3w h GLU 108 CO -0.19 0.28 0.48 -0.22 -1.16 0.00 0.00 179.01 178.20 2x3w h LYS 109 N 0.44 0.87 0.21 2.33 3.64 -0.92 0.14 116.57 123.27 2x3w h LYS 109 Ca 0.36 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2x3w h LYS 109 Cb 0.49 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2x3w h LYS 109 CO -0.35 0.58 -0.10 0.28 -2.27 0.00 0.00 179.45 177.58 2x3w h VAL 110 N 0.90 0.82 -0.06 2.00 2.07 -1.19 -1.58 116.25 119.21 2x3w h VAL 110 Ca 0.33 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.73 2x3w h VAL 110 Cb 0.11 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2x3w h VAL 110 CO -0.15 0.03 -0.48 0.50 0.02 0.00 0.00 177.57 177.49 2x3w h LYS 111 N -0.36 -0.57 -0.76 1.57 3.64 -0.67 0.25 116.57 119.66 2x3w h LYS 111 Ca -0.03 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 2x3w h LYS 111 Cb 0.27 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 2x3w h LYS 111 CO 0.05 -0.38 0.33 -0.91 -2.27 0.00 0.00 179.45 176.26 2x3w h ASN 112 N -0.59 0.33 -0.57 4.20 2.35 -0.73 -0.04 115.58 120.52 2x3w h ASN 112 Ca 0.04 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2x3w h ASN 112 Cb 0.68 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 2x3w h ASN 112 CO -0.38 0.14 0.28 -0.25 -1.65 0.00 0.00 177.43 175.57 2x3w h TRP 113 N 0.48 0.82 -0.92 1.19 7.01 -0.08 -2.36 115.95 122.08 2x3w h TRP 113 Ca 0.41 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.41 2x3w h TRP 113 Cb 0.61 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 2x3w h TRP 113 CO -0.15 0.62 0.60 0.37 -2.79 0.00 0.00 178.44 177.09 2x3w h GLN 114 N 0.77 1.13 -0.76 2.65 4.15 0.70 -2.51 115.11 121.25 2x3w h GLN 114 Ca 0.20 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.57 2x3w h GLN 114 Cb 0.11 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 2x3w h GLN 114 CO -0.03 0.75 0.49 -0.22 -1.93 0.00 0.00 178.83 177.89 2x3w h LYS 115 N 1.16 0.93 0.00 1.69 3.64 -0.53 -2.23 116.57 121.23 2x3w h LYS 115 Ca 0.36 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2x3w h LYS 115 Cb -0.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2x3w h LYS 115 CO -0.12 0.62 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.98 2x3w h ASP 116 N 0.96 0.00 0.07 4.20 3.45 -1.23 -3.36 116.42 120.51 2x3w h ASP 116 Ca 0.30 -0.06 -0.36 0.00 0.43 0.00 0.00 57.03 57.34 2x3w h ASP 116 Cb -0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 2x3w h ASP 116 CO -0.10 0.03 -2.06 0.00 -1.57 0.00 0.00 179.24 175.54 2x3w n ALA 117 N -1.90 1.02 -3.73 3.45 0.00 -0.97 -4.87 120.51 113.52 2x3w n ALA 117 Ca 0.04 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.41 2x3w n ALA 117 Cb 0.47 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 2x3w n ALA 117 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2x3w s TYR 118 N -2.52 3.17 -0.19 0.00 2.02 -0.87 -4.87 117.35 114.09 2x3w s TYR 118 Ca -0.27 -1.77 -0.04 0.00 -0.37 0.00 0.00 57.07 54.62 2x3w s TYR 118 Cb 0.08 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2x3w s TYR 118 CO 0.69 -0.78 -0.04 -1.01 -1.57 0.00 0.00 175.55 172.84 2x3w s HIS 119 N 1.27 2.97 0.69 2.71 3.76 -1.26 -4.77 115.29 120.65 2x3w s HIS 119 Ca -0.03 -0.66 -0.15 0.00 -0.15 0.00 0.00 55.06 54.07 2x3w s HIS 119 Cb -0.18 -2.04 0.01 0.00 1.11 0.00 0.00 32.58 31.49 2x3w s HIS 119 CO -0.03 -0.33 1.15 0.21 -0.85 0.00 0.00 174.74 174.88 2x3w s LYS 120 N 1.01 2.54 0.01 1.40 2.47 -1.26 -0.83 119.74 125.08 2x3w s LYS 120 Ca 0.00 1.53 0.06 0.00 -1.56 0.00 0.00 55.97 56.01 2x3w s LYS 120 Cb -0.15 -1.91 -0.02 0.00 -1.46 0.00 0.00 37.83 34.30 2x3w s LYS 120 CO 0.01 -1.48 -0.19 -0.65 0.16 0.00 0.00 175.35 173.20 2x3w s GLN 121 N -4.01 1.46 0.57 4.03 -0.21 -0.54 -4.68 119.66 116.27 2x3w s GLN 121 Ca 0.70 -0.77 0.35 0.00 0.02 0.00 0.00 55.36 55.65 2x3w s GLN 121 Cb -0.24 -1.47 1.68 0.00 1.00 0.00 0.00 33.01 33.98 2x3w s GLN 121 CO 0.43 0.39 2.11 -0.84 -2.12 0.00 0.00 175.29 175.26 2x3w h ILE 122 N 4.55 0.17 0.00 1.08 -0.00 -1.97 0.15 117.51 121.49 2x3w h ILE 122 Ca -0.39 -0.40 0.00 0.00 -0.00 0.00 0.00 64.86 64.06 2x3w h ILE 122 Cb 1.15 1.33 0.00 0.00 -0.00 0.00 0.00 36.82 39.31 2x3w h ILE 122 CO 0.46 0.04 0.00 0.80 -0.00 0.00 0.00 178.15 179.46 2x3w n MET 123 N -3.24 0.09 -0.00 0.16 1.56 -1.26 -4.98 117.12 109.45 2x3w n MET 123 Ca -0.01 0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 2x3w n MET 123 Cb 0.23 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.10 2x3w n MET 123 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2x3w n GLY 124 N 0.99 1.49 1.37 -5.12 0.00 0.53 -5.11 105.19 99.34 2x3w n GLY 124 Ca 0.08 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2x3w n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3w n GLY 125 N 2.86 -1.78 3.73 -0.02 0.00 -1.26 -4.82 105.19 103.90 2x3w n GLY 125 Ca 0.00 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 2x3w n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x3w s PHE 126 N 0.00 3.20 0.27 1.61 0.40 -1.26 -1.47 117.98 120.73 2x3w s PHE 126 Ca 0.00 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2x3w s PHE 126 Cb 0.00 -1.73 0.57 0.00 0.51 0.00 0.00 43.02 42.36 2x3w s PHE 126 CO 0.00 0.51 1.76 -0.22 0.70 0.00 0.00 175.22 177.97 2x3w h LYS 127 N 4.46 0.62 -0.54 0.44 3.64 -1.26 -1.54 116.57 122.39 2x3w h LYS 127 Ca -0.50 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.79 2x3w h LYS 127 Cb 1.18 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2x3w h LYS 127 CO 0.59 0.41 0.12 0.93 -2.27 0.00 0.00 179.45 179.23 2x3w h GLU 128 N 0.64 0.87 -0.70 1.90 3.07 -1.90 -1.50 114.58 116.96 2x3w h GLU 128 Ca 0.48 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 2x3w h GLU 128 Cb 0.70 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 2x3w h GLU 128 CO -0.37 0.82 0.22 1.15 -1.40 0.00 0.00 179.01 179.44 2x3w h THR 129 N 0.76 1.26 -0.16 1.13 2.02 -1.75 -2.99 112.91 113.19 2x3w h THR 129 Ca 0.17 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 2x3w h THR 129 Cb 0.35 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2x3w h THR 129 CO 0.00 0.34 -0.27 0.50 0.37 0.00 0.00 175.52 176.47 2x3w h LYS 130 N 1.03 0.29 -0.18 6.66 1.63 -0.82 -2.61 116.57 122.57 2x3w h LYS 130 Ca 0.23 -0.10 -0.19 0.00 -0.85 0.00 0.00 60.65 59.74 2x3w h LYS 130 Cb 0.30 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2x3w h LYS 130 CO -0.01 0.54 -0.64 0.93 -3.45 0.00 0.00 179.45 176.82 2x3w h GLU 131 N 0.26 0.65 -0.49 1.90 5.08 -1.15 -1.48 114.58 119.35 2x3w h GLU 131 Ca 0.04 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2x3w h GLU 131 Cb 0.61 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2x3w h GLU 131 CO 0.04 1.08 0.29 0.00 -1.00 0.00 0.00 179.01 179.43 2x3w h ALA 132 N 0.80 0.62 -0.54 3.43 0.00 -1.39 -1.14 119.26 121.05 2x3w h ALA 132 Ca -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2x3w h ALA 132 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2x3w h ALA 132 CO 0.13 0.11 0.08 1.49 0.00 0.00 0.00 179.25 181.06 2x3w h GLU 133 N 0.65 0.89 -0.19 0.00 4.81 -1.21 -2.01 114.58 117.52 2x3w h GLU 133 Ca 0.17 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2x3w h GLU 133 Cb -0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2x3w h GLU 133 CO -0.03 0.87 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.64 2x3w h ASP 134 N 0.78 0.37 -0.73 1.04 3.45 -1.18 -2.12 116.42 118.03 2x3w h ASP 134 Ca 0.16 -0.36 0.11 0.00 0.43 0.00 0.00 57.03 57.38 2x3w h ASP 134 Cb 0.42 -0.10 -0.08 0.00 -0.56 0.00 0.00 39.33 39.01 2x3w h ASP 134 CO 0.01 0.64 0.34 1.23 -1.57 0.00 0.00 179.24 179.90 2x3w h GLY 135 N 0.09 1.11 0.69 2.75 0.00 -1.03 -1.74 103.07 104.95 2x3w h GLY 135 Ca 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2x3w h GLY 135 CO 0.02 0.01 -0.30 0.74 0.00 0.00 0.00 176.54 177.00 2x3w h PHE 136 N 0.56 -0.79 -0.94 5.60 0.05 -1.31 -2.18 116.94 117.93 2x3w h PHE 136 Ca 0.38 -0.02 0.27 0.00 3.82 0.00 0.00 57.97 62.42 2x3w h PHE 136 Cb 0.46 0.26 -0.17 0.00 2.00 0.00 0.00 35.95 38.51 2x3w h PHE 136 CO -0.12 -0.46 0.16 -0.09 -0.18 0.00 0.00 178.31 177.61 2x3w h ARG 137 N -1.17 0.08 -0.10 1.51 2.43 -1.19 0.31 114.38 116.25 2x3w h ARG 137 Ca -0.09 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2x3w h ARG 137 Cb 0.68 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2x3w h ARG 137 CO 0.14 0.05 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.43 2x3w h LYS 138 N 0.08 0.18 0.00 0.20 3.64 -1.33 -1.36 116.57 117.98 2x3w h LYS 138 Ca 0.60 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2x3w h LYS 138 Cb 1.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2x3w h LYS 138 CO -0.80 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 176.84 2x3w n ALA 139 N -2.30 1.30 0.52 5.00 0.00 0.81 -1.72 120.51 124.12 2x3w n ALA 139 Ca -0.06 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2x3w n ALA 139 Cb 0.21 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 2x3w n ALA 139 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2x3w n GLN 140 N -1.89 2.36 0.37 0.00 7.27 0.32 -4.59 117.38 121.21 2x3w n GLN 140 Ca 0.01 -0.47 -0.18 0.00 0.07 0.00 0.00 57.00 56.42 2x3w n GLN 140 Cb 0.10 -1.11 -0.09 0.00 2.41 0.00 0.00 30.24 31.55 2x3w n GLN 140 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2x3w h LYS 141 N 0.93 -1.05 -0.26 3.69 3.64 -0.37 -1.51 116.57 121.64 2x3w h LYS 141 Ca 0.00 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2x3w h LYS 141 Cb 0.36 0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 2x3w h LYS 141 CO 0.00 -0.70 -0.42 -1.35 -2.27 0.00 0.00 179.45 174.71 2x3w h PRO 142 N -1.09 -0.40 -0.90 1.90 0.11 -1.86 -2.17 132.00 127.59 2x3w h PRO 142 Ca -0.09 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.17 2x3w h PRO 142 Cb 0.89 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 2x3w h PRO 142 CO 0.06 -0.27 0.52 2.35 -0.21 0.00 0.00 178.00 180.45 2x3w h TRP 143 N -0.41 0.93 -0.59 0.65 2.91 -1.86 0.85 115.95 118.44 2x3w h TRP 143 Ca 0.10 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.22 2x3w h TRP 143 Cb 0.60 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 28.92 2x3w h TRP 143 CO -0.55 0.33 0.29 0.00 -1.03 0.00 0.00 178.44 177.48 2x3w h ALA 144 N 1.52 0.77 -0.06 2.65 0.00 -0.86 -1.99 119.26 121.30 2x3w h ALA 144 Ca 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 2x3w h ALA 144 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2x3w h ALA 144 CO -0.29 -0.07 -0.14 -0.22 0.00 0.00 0.00 179.25 178.53 2x3w h LYS 145 N 0.54 0.09 0.00 0.00 3.64 -0.24 -2.91 116.57 117.70 2x3w h LYS 145 Ca 0.27 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.49 2x3w h LYS 145 Cb 0.21 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2x3w h LYS 145 CO -0.20 0.24 -1.15 -0.22 -2.27 0.00 0.00 179.45 175.85 2x3w h LYS 146 N 0.09 0.00 0.00 1.90 3.64 -0.91 -3.11 116.57 118.18 2x3w h LYS 146 Ca 0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2x3w h LYS 146 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2x3w h LYS 146 CO 0.02 0.32 -0.61 0.52 -2.27 0.00 0.00 179.45 177.43 2x3w h MET 147 N 0.00 0.00 0.06 1.90 2.86 -1.26 -1.39 114.93 117.10 2x3w h MET 147 Ca -0.11 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2x3w h MET 147 Cb 1.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.15 2x3w h MET 147 CO 0.05 0.61 -0.03 0.87 1.06 0.00 0.00 176.91 179.47 2x3w h LYS 148 N 0.00 -0.08 -0.14 1.72 1.57 -1.54 -0.31 116.57 117.79 2x3w h LYS 148 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2x3w h LYS 148 Cb 1.27 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2x3w h LYS 148 CO 0.08 0.16 0.03 0.93 -0.57 0.00 0.00 179.45 180.08 2x3w h GLU 149 N -0.31 0.09 -0.99 3.15 5.08 -1.53 0.99 114.58 121.06 2x3w h GLU 149 Ca -0.01 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2x3w h GLU 149 Cb 0.27 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2x3w h GLU 149 CO 0.01 0.06 0.62 1.25 -1.00 0.00 0.00 179.01 179.95 2x3w h LEU 150 N 0.09 0.88 0.55 1.33 6.46 -1.22 0.51 115.31 123.91 2x3w h LEU 150 Ca 0.06 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2x3w h LEU 150 Cb 0.05 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2x3w h LEU 150 CO -0.08 0.46 -0.27 -0.08 -0.62 0.00 0.00 178.44 177.86 2x3w h GLU 151 N 0.94 -0.72 -0.69 1.25 4.57 -0.31 -1.99 114.58 117.63 2x3w h GLU 151 Ca 0.49 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.87 2x3w h GLU 151 Cb 0.54 0.16 -0.11 0.00 -0.16 0.00 0.00 28.75 29.18 2x3w h GLU 151 CO -0.26 -0.41 0.04 0.00 -1.18 0.00 0.00 179.01 177.20 2x3w h ALA 152 N -0.62 0.74 -0.25 2.92 0.00 -0.14 -1.47 119.26 120.42 2x3w h ALA 152 Ca -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x3w h ALA 152 Cb 0.63 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2x3w h ALA 152 CO 0.12 -0.39 0.12 0.00 0.00 0.00 0.00 179.25 179.10 2x3w h ALA 153 N 1.62 0.33 -0.95 0.00 0.00 -0.88 -1.53 119.26 117.84 2x3w h ALA 153 Ca 0.37 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.33 2x3w h ALA 153 Cb 0.63 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 2x3w h ALA 153 CO -0.57 -0.10 0.57 -0.22 0.00 0.00 0.00 179.25 178.93 2x3w h LYS 154 N 0.27 0.81 0.94 0.00 3.64 -0.66 -2.09 116.57 119.49 2x3w h LYS 154 Ca 0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2x3w h LYS 154 Cb 0.13 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2x3w h LYS 154 CO -0.01 0.54 -0.45 0.87 -2.27 0.00 0.00 179.45 178.12 2x3w h LYS 155 N 0.83 -1.21 -0.70 1.90 1.79 -0.33 -2.08 116.57 116.77 2x3w h LYS 155 Ca 0.50 0.08 0.15 0.00 -2.18 0.00 0.00 60.65 59.21 2x3w h LYS 155 Cb 0.62 0.28 -0.12 0.00 -1.58 0.00 0.00 32.23 31.42 2x3w h LYS 155 CO -0.32 -0.81 -0.05 0.00 -1.08 0.00 0.00 179.45 177.19 2x3w h ALA 156 N -1.21 0.63 -0.05 3.86 0.00 -1.01 0.15 119.26 121.63 2x3w h ALA 156 Ca -0.13 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2x3w h ALA 156 Cb 0.97 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2x3w h ALA 156 CO 0.21 -0.42 -0.26 -0.92 0.00 0.00 0.00 179.25 177.86 2x3w h TYR 157 N 0.07 0.09 0.08 0.00 5.03 -1.30 -1.24 116.97 119.69 2x3w h TYR 157 Ca 0.36 -0.01 -0.27 0.00 2.58 0.00 0.00 58.73 61.39 2x3w h TYR 157 Cb 0.61 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2x3w h TYR 157 CO -0.45 0.34 -1.29 0.45 -1.32 0.00 0.00 178.16 175.89 2x3w h HIS 158 N 0.08 0.29 -0.15 -3.82 3.86 -0.05 -2.59 115.15 112.77 2x3w h HIS 158 Ca 0.01 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 58.92 2x3w h HIS 158 Cb 0.51 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2x3w h HIS 158 CO 0.00 1.20 -0.30 1.25 0.86 0.00 0.00 177.93 180.94 2x3w h LEU 159 N 0.04 0.29 -0.76 2.43 6.46 -1.05 -2.58 115.31 120.15 2x3w h LEU 159 Ca -0.14 -0.10 -0.11 0.00 -0.12 0.00 0.00 57.88 57.41 2x3w h LEU 159 Cb 1.93 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.76 2x3w h LEU 159 CO 0.16 0.59 -0.20 0.00 -0.62 0.00 0.00 178.44 178.37 2x3w h ALA 160 N 1.43 0.94 0.06 1.25 0.00 -1.02 -1.73 119.26 120.19 2x3w h ALA 160 Ca 0.04 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.32 2x3w h ALA 160 Cb 0.67 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2x3w h ALA 160 CO 0.05 0.61 -1.12 0.00 0.00 0.00 0.00 179.25 178.80 2x3w h LYS 162 N 0.29 1.09 -0.12 0.00 3.64 -1.35 -1.34 116.57 118.79 2x3w h LYS 162 Ca -0.16 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.02 2x3w h LYS 162 Cb 1.79 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 2x3w h LYS 162 CO 0.22 0.72 -0.53 0.93 -2.27 0.00 0.00 179.45 178.51 2x3w h GLU 163 N 1.12 0.33 -0.56 1.90 4.39 -1.37 -2.88 114.58 117.51 2x3w h GLU 163 Ca 0.35 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2x3w h GLU 163 Cb -0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2x3w h GLU 163 CO -0.10 0.78 0.06 1.49 -1.16 0.00 0.00 179.01 180.08 2x3w h GLU 164 N 0.26 0.94 -0.34 2.33 4.81 -1.20 -0.73 114.58 120.65 2x3w h GLU 164 Ca 0.01 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2x3w h GLU 164 Cb 1.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 2x3w h GLU 164 CO 0.09 0.92 0.12 -0.09 -0.73 0.00 0.00 179.01 179.32 2x3w h ARG 165 N 0.83 0.25 -0.61 1.92 9.65 -1.12 -1.27 114.38 124.04 2x3w h ARG 165 Ca 0.16 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 2x3w h ARG 165 Cb 0.46 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 2x3w h ARG 165 CO 0.02 0.17 0.07 -0.07 2.80 0.00 0.00 179.97 182.96 2x3w h LEU 166 N 0.26 0.96 -1.78 3.80 4.07 -1.44 -0.85 115.31 120.34 2x3w h LEU 166 Ca 0.15 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.93 2x3w h LEU 166 Cb 0.13 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 2x3w h LEU 166 CO -0.16 0.97 0.24 0.00 -1.08 0.00 0.00 178.44 178.42 2x3w h ALA 167 N 1.13 1.97 0.00 1.53 0.00 -0.20 0.56 119.26 124.25 2x3w h ALA 167 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2x3w h ALA 167 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2x3w h ALA 167 CO 0.01 -0.03 -0.21 0.52 0.00 0.00 0.00 179.25 179.54 2x3w h MET 168 N 0.29 0.00 0.00 0.00 2.86 -0.96 -1.08 114.93 116.04 2x3w h MET 168 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2x3w h MET 168 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2x3w h MET 168 CO -0.03 0.59 0.11 2.41 1.06 0.00 0.00 176.91 181.05 2x3w n THR 169 N -4.64 0.82 -0.02 2.22 -1.04 -0.35 -1.80 114.28 109.46 2x3w n THR 169 Ca -0.09 0.32 -0.02 0.00 -2.04 0.00 0.00 64.05 62.21 2x3w n THR 169 Cb 0.33 -1.32 -0.01 0.00 -1.82 0.00 0.00 70.33 67.52 2x3w n THR 169 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2x3w n ARG 170 N -1.14 0.12 0.00 -2.82 3.00 0.17 -4.34 116.66 111.64 2x3w n ARG 170 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2x3w n ARG 170 Cb 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 32.46 31.85 2x3w n ARG 170 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2x3w n GLU 171 N -2.93 0.00 -2.57 -0.14 4.07 -0.41 -1.83 120.64 116.83 2x3w n GLU 171 Ca -0.03 0.61 -0.43 0.00 -0.06 0.00 0.00 57.16 57.25 2x3w n GLU 171 Cb 0.11 -1.05 0.00 0.00 -0.06 0.00 0.00 31.44 30.44 2x3w n GLU 171 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 2x3w n MET 172 N -1.71 3.46 0.00 5.31 1.56 -1.01 -3.80 117.12 120.93 2x3w n MET 172 Ca 0.00 -3.60 0.00 0.00 -0.27 0.00 0.00 57.70 53.83 2x3w n MET 172 Cb 0.00 -3.02 0.00 0.00 2.15 0.00 0.00 33.22 32.35 2x3w n MET 172 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2x3w n ASN 173 N 4.97 0.00 0.00 6.12 5.15 -0.76 -4.75 115.26 125.99 2x3w n ASN 173 Ca 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2x3w n ASN 173 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2x3w n ASN 173 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2x3w n SER 174 N 0.00 1.20 0.00 1.20 2.88 -1.24 -4.96 113.62 112.71 2x3w n SER 174 Ca 0.00 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 2x3w n SER 174 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2x3w n SER 174 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2x3w n LYS 175 N -0.28 0.00 0.00 -1.46 4.81 -1.25 -1.22 118.16 118.76 2x3w n LYS 175 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2x3w n LYS 175 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 2x3w n LYS 175 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2x3w n THR 176 N 0.00 0.00 -2.95 3.15 -2.24 -1.26 -4.63 114.28 106.35 2x3w n THR 176 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2x3w n THR 176 Cb 0.00 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 2x3w n THR 176 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2x3w s GLU 177 N -1.93 4.34 0.08 -0.78 2.12 -0.36 -5.01 118.70 117.17 2x3w s GLU 177 Ca 0.00 1.05 -0.21 0.00 0.36 0.00 0.00 54.97 56.17 2x3w s GLU 177 Cb 0.00 -2.70 -0.11 0.00 0.26 0.00 0.00 34.13 31.58 2x3w s GLU 177 CO 0.00 0.27 1.59 1.96 -0.54 0.00 0.00 175.26 178.54 2x3w h GLN 178 N 2.98 0.23 -4.85 4.30 4.20 -1.82 -3.35 115.11 116.81 2x3w h GLN 178 Ca -0.48 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 57.66 2x3w h GLN 178 Cb 1.19 -0.03 0.03 0.00 0.30 0.00 0.00 27.48 28.97 2x3w h GLN 178 CO 0.65 0.35 1.76 -1.13 -0.67 0.00 0.00 178.83 179.79 2x3w n SER 179 N -4.85 2.48 0.00 1.46 3.41 -1.26 -4.64 113.62 110.22 2x3w n SER 179 Ca -0.05 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 2x3w n SER 179 Cb 0.14 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2x3w n SER 179 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2x3w n VAL 180 N 6.75 0.00 -4.55 -3.33 0.24 -1.26 -4.99 118.33 111.18 2x3w n VAL 180 Ca 0.48 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.52 2x3w n VAL 180 Cb 0.43 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.69 2x3w n VAL 180 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2x3w s THR 181 N -1.42 1.56 0.07 3.34 -4.23 -1.26 -4.96 115.64 108.74 2x3w s THR 181 Ca 0.00 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 2x3w s THR 181 Cb 0.00 -2.84 -0.16 0.00 1.34 0.00 0.00 72.50 70.83 2x3w s THR 181 CO 0.00 0.00 1.63 -0.65 -0.54 0.00 0.00 174.62 175.06 2x3w h PRO 182 N 1.89 -0.07 -0.57 3.99 0.11 -1.99 1.93 132.00 137.29 2x3w h PRO 182 Ca -0.42 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.82 2x3w h PRO 182 Cb 1.25 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2x3w h PRO 182 CO 0.75 0.05 0.39 1.05 -0.21 0.00 0.00 178.00 180.03 2x3w h GLU 183 N -0.17 0.22 0.01 1.05 4.11 -2.01 -2.56 114.58 115.23 2x3w h GLU 183 Ca -0.01 -0.01 -0.32 0.00 0.07 0.00 0.00 59.36 59.09 2x3w h GLU 183 Cb 0.15 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2x3w h GLU 183 CO 0.01 0.14 -1.91 0.94 0.07 0.00 0.00 179.01 178.27 2x3w n GLN 184 N -4.44 0.65 -0.20 1.06 0.00 -0.82 -4.01 117.38 109.63 2x3w n GLN 184 Ca 0.10 0.22 -0.08 0.00 -0.00 0.00 0.00 57.00 57.24 2x3w n GLN 184 Cb 0.48 -1.72 0.02 0.00 0.00 0.00 0.00 30.24 29.02 2x3w n GLN 184 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2x3w h GLN 185 N 0.00 0.88 0.00 3.69 1.08 0.33 -2.99 115.11 118.10 2x3w h GLN 185 Ca -0.36 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 56.63 2x3w h GLN 185 Cb 2.07 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 29.37 2x3w h GLN 185 CO 0.06 0.79 -0.09 1.57 -0.95 0.00 0.00 178.83 180.22 2x3w h LYS 186 N 0.79 0.00 -0.06 1.46 5.09 -1.60 -1.26 116.57 120.99 2x3w h LYS 186 Ca 0.18 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.72 2x3w h LYS 186 Cb 0.27 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.60 2x3w h LYS 186 CO -0.01 0.09 -0.80 0.87 -2.09 0.00 0.00 179.45 177.51 2x3w h LYS 187 N 0.00 0.44 -0.01 0.07 1.57 -1.66 -1.39 116.57 115.60 2x3w h LYS 187 Ca -0.00 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.31 2x3w h LYS 187 Cb 0.24 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2x3w h LYS 187 CO 0.01 1.04 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.48 2x3w h LEU 188 N 0.28 0.01 -0.11 2.94 3.38 -1.20 0.32 115.31 120.94 2x3w h LEU 188 Ca -0.05 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 2x3w h LEU 188 Cb 1.40 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.16 2x3w h LEU 188 CO 0.14 0.39 -0.87 0.58 0.09 0.00 0.00 178.44 178.77 2x3w h VAL 189 N 0.01 1.28 0.00 1.22 2.07 -1.33 -2.11 116.25 117.39 2x3w h VAL 189 Ca -0.00 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 2x3w h VAL 189 Cb 0.67 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2x3w h VAL 189 CO 0.05 0.65 -0.21 0.44 0.02 0.00 0.00 177.57 178.52 2x3w h ASP 190 N 0.49 0.00 0.50 0.57 3.32 -0.81 -0.64 116.42 119.85 2x3w h ASP 190 Ca -0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2x3w h ASP 190 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.07 2x3w h ASP 190 CO 0.18 0.21 -0.24 0.50 -1.72 0.00 0.00 179.24 178.17 2x3w h LYS 191 N 0.00 -0.65 -0.11 3.56 1.63 -0.21 -2.33 116.57 118.47 2x3w h LYS 191 Ca -0.00 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2x3w h LYS 191 Cb 0.38 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2x3w h LYS 191 CO 0.03 -0.43 0.16 -0.39 -3.45 0.00 0.00 179.45 175.36 2x3w h VAL 192 N -0.85 0.34 -0.00 2.00 -1.51 -1.34 -0.53 116.25 114.37 2x3w h VAL 192 Ca -0.07 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.24 2x3w h VAL 192 Cb 0.51 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 2x3w h VAL 192 CO 0.11 0.00 -0.78 -0.78 -1.23 0.00 0.00 177.57 174.90 2x3w h ASP 193 N 0.00 0.05 0.88 4.19 1.82 -1.02 -2.66 116.42 119.67 2x3w h ASP 193 Ca 0.05 -0.03 -0.23 0.00 -0.39 0.00 0.00 57.03 56.43 2x3w h ASP 193 Cb 0.36 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.33 2x3w h ASP 193 CO -0.00 0.80 -1.15 0.50 -1.61 0.00 0.00 179.24 177.78 2x3w h LYS 194 N 0.02 0.02 -0.54 0.28 3.11 -0.54 -3.17 116.57 115.74 2x3w h LYS 194 Ca -0.01 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 2x3w h LYS 194 Cb 1.37 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.58 2x3w h LYS 194 CO 0.10 0.91 0.14 0.00 -2.81 0.00 0.00 179.45 177.80 2x3w h ARG 196 N 0.80 1.05 -0.14 0.00 2.43 -1.44 -0.23 114.38 116.85 2x3w h ARG 196 Ca 0.18 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2x3w h ARG 196 Cb 0.28 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2x3w h ARG 196 CO -0.00 0.70 -0.12 1.96 -1.51 0.00 0.00 179.97 181.00 2x3w h GLN 197 N 1.09 0.33 -0.44 0.20 4.20 -1.52 -2.64 115.11 116.32 2x3w h GLN 197 Ca 0.37 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.98 2x3w h GLN 197 Cb 0.08 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.77 2x3w h GLN 197 CO -0.14 0.70 -0.49 -0.44 -0.67 0.00 0.00 178.83 177.79 2x3w h ASP 198 N -0.04 -1.64 -0.75 1.46 3.45 -0.86 0.15 116.42 118.19 2x3w h ASP 198 Ca 0.02 0.23 0.16 0.00 0.43 0.00 0.00 57.03 57.88 2x3w h ASP 198 Cb 0.63 0.70 -0.11 0.00 -0.56 0.00 0.00 39.33 39.99 2x3w h ASP 198 CO 0.03 -0.38 0.24 0.58 -1.57 0.00 0.00 179.24 178.14 2x3w h VAL 199 N -0.34 0.56 -0.08 -1.35 2.07 -1.01 -1.87 116.25 114.21 2x3w h VAL 199 Ca 0.12 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2x3w h VAL 199 Cb 0.59 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2x3w h VAL 199 CO -0.61 0.06 -0.11 -0.61 0.02 0.00 0.00 177.57 176.32 2x3w h GLN 200 N 0.33 0.23 -0.25 1.57 4.15 -0.87 -1.26 115.11 119.01 2x3w h GLN 200 Ca 0.43 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.61 2x3w h GLN 200 Cb 0.71 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2x3w h GLN 200 CO -0.48 0.69 -0.28 -0.22 -1.93 0.00 0.00 178.83 176.61 2x3w h LYS 201 N -0.21 0.50 0.00 1.69 3.64 -0.73 -1.69 116.57 119.76 2x3w h LYS 201 Ca 0.01 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2x3w h LYS 201 Cb 0.66 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2x3w h LYS 201 CO 0.03 0.73 -0.56 0.25 -2.27 0.00 0.00 179.45 177.63 2x3w n THR 202 N -4.10 0.30 0.07 1.00 -2.24 -0.73 -2.72 114.28 105.85 2x3w n THR 202 Ca -0.01 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 2x3w n THR 202 Cb 0.43 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 2x3w n THR 202 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2x3w h GLN 203 N 0.00 0.57 -0.25 -0.78 4.15 -0.88 -2.94 115.11 114.98 2x3w h GLN 203 Ca 0.00 -0.67 -0.13 0.00 0.77 0.00 0.00 58.65 58.61 2x3w h GLN 203 Cb 0.70 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2x3w h GLN 203 CO 0.00 1.27 -0.39 1.49 -1.93 0.00 0.00 178.83 179.27 2x3w h GLU 204 N 0.30 0.58 0.14 1.69 4.81 -1.30 -0.48 114.58 120.32 2x3w h GLU 204 Ca -0.13 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2x3w h GLU 204 Cb 1.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 2x3w h GLU 204 CO 0.20 0.88 -0.07 -0.22 -0.73 0.00 0.00 179.01 179.08 2x3w h LYS 205 N 0.48 -0.18 -0.50 1.92 1.63 -1.62 -0.98 116.57 117.32 2x3w h LYS 205 Ca 0.04 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.95 2x3w h LYS 205 Cb 0.90 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.49 2x3w h LYS 205 CO 0.08 0.15 0.07 -0.92 -3.45 0.00 0.00 179.45 175.37 2x3w h TYR 206 N -0.53 0.10 -0.84 1.91 -0.00 -1.43 0.26 116.97 116.44 2x3w h TYR 206 Ca -0.02 0.03 0.04 0.00 -0.00 0.00 0.00 58.73 58.79 2x3w h TYR 206 Cb 0.42 0.03 -0.05 0.00 -0.00 0.00 0.00 36.73 37.13 2x3w h TYR 206 CO 0.03 -0.05 0.55 0.93 -0.00 0.00 0.00 178.16 179.63 2x3w h GLU 207 N 0.19 0.98 0.30 1.82 5.08 -1.04 -2.29 114.58 119.62 2x3w h GLU 207 Ca 0.25 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2x3w h GLU 207 Cb 0.36 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x3w h GLU 207 CO -0.36 0.65 -0.14 0.87 -1.00 0.00 0.00 179.01 179.02 2x3w h LYS 208 N 1.01 -0.39 -0.54 2.33 1.57 0.88 -2.56 116.57 118.88 2x3w h LYS 208 Ca 0.34 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.22 2x3w h LYS 208 Cb 0.09 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 2x3w h LYS 208 CO -0.11 -0.10 0.20 0.28 -0.57 0.00 0.00 179.45 179.15 2x3w h VAL 209 N -0.68 0.82 -0.74 0.50 2.07 -1.15 -1.01 116.25 116.05 2x3w h VAL 209 Ca -0.04 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.51 2x3w h VAL 209 Cb 0.47 0.40 -0.13 0.00 -1.52 0.00 0.00 31.29 30.51 2x3w h VAL 209 CO 0.07 0.07 -0.09 0.25 0.02 0.00 0.00 177.57 177.89 2x3w h LEU 210 N 0.38 -0.52 -0.69 2.57 5.85 -1.32 -0.19 115.31 121.39 2x3w h LEU 210 Ca 0.26 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 2x3w h LEU 210 Cb 0.29 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2x3w h LEU 210 CO -0.26 -0.21 0.40 -0.08 -0.34 0.00 0.00 178.44 177.94 2x3w h GLU 211 N 0.05 0.95 -0.22 1.25 4.81 -0.77 -1.76 114.58 118.88 2x3w h GLU 211 Ca 0.38 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 2x3w h GLU 211 Cb 0.63 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2x3w h GLU 211 CO -0.70 0.69 -0.38 -0.44 -0.73 0.00 0.00 179.01 177.45 2x3w h ASP 212 N 0.94 0.53 -0.15 1.04 3.32 -0.83 -1.16 116.42 120.11 2x3w h ASP 212 Ca 0.25 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2x3w h ASP 212 Cb 0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2x3w h ASP 212 CO -0.04 0.86 0.06 0.58 -1.72 0.00 0.00 179.24 178.98 2x3w h VAL 213 N 0.42 1.15 -0.36 -1.35 2.07 -0.70 -2.02 116.25 115.45 2x3w h VAL 213 Ca 0.04 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2x3w h VAL 213 Cb 0.86 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2x3w h VAL 213 CO 0.07 0.14 0.01 1.23 0.02 0.00 0.00 177.57 179.04 2x3w h GLY 214 N 0.09 0.60 2.00 2.17 0.00 -1.20 -2.34 103.07 104.39 2x3w h GLY 214 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2x3w h GLY 214 CO -0.00 0.33 0.00 0.07 0.00 0.00 0.00 176.54 176.93 2x3w h LYS 215 N 0.54 0.00 -0.01 4.80 2.10 -0.87 -3.22 116.57 119.90 2x3w h LYS 215 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2x3w h LYS 215 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2x3w h LYS 215 CO 0.01 0.00 -0.04 0.25 -2.00 0.00 0.00 179.45 177.67 2x3w n THR 216 N -2.94 0.00 -0.30 0.07 -2.24 -0.79 -4.65 114.28 103.43 2x3w n THR 216 Ca 0.03 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 2x3w n THR 216 Cb 0.41 1.22 0.23 0.00 -2.10 0.00 0.00 70.33 70.09 2x3w n THR 216 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2x3w h THR 217 N 2.05 1.11 0.06 4.28 1.35 -1.44 -2.51 112.91 117.81 2x3w h THR 217 Ca 0.00 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.52 2x3w h THR 217 Cb 0.46 -0.05 -0.05 0.00 -1.73 0.00 0.00 68.15 66.78 2x3w h THR 217 CO 0.00 0.19 -0.33 -0.65 -0.25 0.00 0.00 175.52 174.49 2x3w h PRO 218 N 1.07 -0.50 -1.00 4.72 0.11 -1.82 -0.53 132.00 134.05 2x3w h PRO 218 Ca 0.37 0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.73 2x3w h PRO 218 Cb 0.11 0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.22 2x3w h PRO 218 CO -0.13 -0.33 0.59 1.96 -0.21 0.00 0.00 178.00 179.88 2x3w h GLN 219 N -0.52 0.66 -0.25 1.05 4.20 -1.79 0.35 115.11 118.82 2x3w h GLN 219 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2x3w h GLN 219 Cb 0.58 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2x3w h GLN 219 CO -0.23 0.44 0.12 -0.92 -0.67 0.00 0.00 178.83 177.57 2x3w h TYR 220 N 0.68 0.36 0.71 2.96 3.20 -1.04 -2.04 116.97 121.79 2x3w h TYR 220 Ca 0.60 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.42 2x3w h TYR 220 Cb 1.01 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.18 2x3w h TYR 220 CO -0.01 0.34 -0.34 0.52 -1.64 0.00 0.00 178.16 177.03 2x3w h MET 221 N 0.27 -0.92 -0.85 1.82 2.86 0.63 -1.66 114.93 117.08 2x3w h MET 221 Ca 0.09 0.06 0.26 0.00 -2.06 0.00 0.00 59.70 58.05 2x3w h MET 221 Cb 0.12 0.21 -0.16 0.00 0.06 0.00 0.00 31.60 31.83 2x3w h MET 221 CO -0.01 -0.60 0.11 -1.91 1.06 0.00 0.00 176.91 175.56 2x3w n GLU 222 N -5.42 -0.06 -0.01 1.72 2.13 0.10 -0.53 120.64 118.57 2x3w n GLU 222 Ca -0.12 1.26 -0.17 0.00 0.66 0.00 0.00 57.16 58.79 2x3w n GLU 222 Cb 0.38 -2.05 -0.10 0.00 0.27 0.00 0.00 31.44 29.94 2x3w n GLU 222 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2x3w h GLY 223 N 0.00 0.49 1.88 8.31 0.00 -1.22 -3.03 103.07 109.50 2x3w h GLY 223 Ca 0.56 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2x3w h GLY 223 CO -0.77 0.71 -0.22 -0.33 0.00 0.00 0.00 176.54 175.93 2x3w h MET 224 N -0.03 0.15 -0.42 4.80 2.86 -0.14 -2.96 114.93 119.18 2x3w h MET 224 Ca -0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2x3w h MET 224 Cb 1.26 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 2x3w h MET 224 CO 0.11 0.37 0.14 1.49 1.06 0.00 0.00 176.91 180.08 2x3w h GLU 225 N 0.14 0.65 -0.33 1.72 4.57 -0.77 -2.66 114.58 117.89 2x3w h GLU 225 Ca 0.03 -0.14 0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2x3w h GLU 225 Cb 0.47 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 2x3w h GLU 225 CO 0.03 0.64 0.01 1.96 -1.18 0.00 0.00 179.01 180.47 2x3w h GLN 226 N 0.54 0.11 -0.70 1.92 4.20 -1.40 0.35 115.11 120.12 2x3w h GLN 226 Ca 0.14 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 2x3w h GLN 226 Cb 0.25 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2x3w h GLN 226 CO -0.01 0.07 0.18 0.28 -0.67 0.00 0.00 178.83 178.68 2x3w h VAL 227 N 0.11 1.26 -0.57 -0.54 2.07 -1.59 -1.67 116.25 115.31 2x3w h VAL 227 Ca 0.16 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2x3w h VAL 227 Cb 0.21 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2x3w h VAL 227 CO -0.26 0.37 0.08 0.15 0.02 0.00 0.00 177.57 177.92 2x3w h PHE 228 N 1.06 1.03 -0.75 1.57 3.04 -1.00 -2.29 116.94 119.59 2x3w h PHE 228 Ca 0.22 -0.15 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 2x3w h PHE 228 Cb 0.36 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 2x3w h PHE 228 CO 0.03 0.90 0.42 1.49 -2.02 0.00 0.00 178.31 179.12 2x3w h GLU 229 N 0.86 1.04 -0.46 1.11 4.57 0.15 0.24 114.58 122.09 2x3w h GLU 229 Ca 0.17 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 2x3w h GLU 229 Cb 0.44 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2x3w h GLU 229 CO 0.01 0.76 -0.06 1.96 -1.18 0.00 0.00 179.01 180.51 2x3w h GLN 230 N 1.05 0.79 -0.39 1.92 4.20 -1.10 0.48 115.11 122.06 2x3w h GLN 230 Ca 0.27 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 2x3w h GLN 230 Cb 0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2x3w h GLN 230 CO -0.04 0.83 -0.26 0.00 -0.67 0.00 0.00 178.83 178.69 2x3w h GLN 232 N 0.69 0.40 -0.95 0.00 1.08 -0.19 -1.44 115.11 114.70 2x3w h GLN 232 Ca 0.09 -0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2x3w h GLN 232 Cb 0.79 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.09 2x3w h GLN 232 CO 0.06 0.45 0.60 1.96 -0.95 0.00 0.00 178.83 180.95 2x3w h GLN 233 N 0.27 1.06 -0.04 1.46 1.08 -0.78 -0.83 115.11 117.33 2x3w h GLN 233 Ca 0.09 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2x3w h GLN 233 Cb 0.20 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2x3w h GLN 233 CO -0.01 0.70 -0.01 0.35 -0.95 0.00 0.00 178.83 178.92 2x3w h PHE 234 N 1.09 0.08 -0.56 2.96 3.04 -1.15 -2.53 116.94 119.88 2x3w h PHE 234 Ca 0.41 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.44 2x3w h PHE 234 Cb 0.18 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 2x3w h PHE 234 CO -0.01 0.40 0.38 1.49 -2.02 0.00 0.00 178.31 178.55 2x3w h GLU 235 N -0.26 0.34 0.19 1.11 4.57 -0.91 -2.64 114.58 116.98 2x3w h GLU 235 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2x3w h GLU 235 Cb 0.38 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2x3w h GLU 235 CO 0.00 0.23 -0.09 1.49 -1.18 0.00 0.00 179.01 179.46 2x3w h GLU 236 N 0.35 -0.25 -0.98 1.92 4.81 -0.96 -2.29 114.58 117.19 2x3w h GLU 236 Ca 0.26 0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.76 2x3w h GLU 236 Cb 0.55 0.06 -0.18 0.00 0.63 0.00 0.00 28.75 29.80 2x3w h GLU 236 CO -0.06 0.13 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.10 2x3w h LYS 237 N -0.68 0.01 0.32 1.92 3.64 -1.09 -0.00 116.57 120.68 2x3w h LYS 237 Ca -0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2x3w h LYS 237 Cb 0.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2x3w h LYS 237 CO 0.04 0.01 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.99 2x3w h ARG 238 N 0.01 -0.41 -0.90 1.90 2.43 -1.43 -2.08 114.38 113.90 2x3w h ARG 238 Ca 0.57 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.89 2x3w h ARG 238 Cb 1.12 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 2x3w h ARG 238 CO -0.93 -0.14 0.52 -0.07 -1.51 0.00 0.00 179.97 177.84 2x3w h LEU 239 N -0.66 0.73 -0.39 3.80 3.38 -0.53 0.42 115.31 122.06 2x3w h LEU 239 Ca -0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2x3w h LEU 239 Cb 0.47 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2x3w h LEU 239 CO 0.07 0.37 0.22 0.58 0.09 0.00 0.00 178.44 179.78 2x3w h VAL 240 N 0.82 1.14 -0.58 1.22 2.07 -1.00 -1.42 116.25 118.50 2x3w h VAL 240 Ca 0.46 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 2x3w h VAL 240 Cb 0.51 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2x3w h VAL 240 CO -0.29 0.14 0.08 0.15 0.02 0.00 0.00 177.57 177.67 2x3w h PHE 241 N 0.50 0.99 -0.48 1.57 3.04 -0.54 -1.75 116.94 120.26 2x3w h PHE 241 Ca 0.14 -0.13 0.01 0.00 3.98 0.00 0.00 57.97 61.97 2x3w h PHE 241 Cb 0.03 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 2x3w h PHE 241 CO -0.03 0.85 0.32 1.25 -2.02 0.00 0.00 178.31 178.68 2x3w h LEU 242 N 0.88 0.55 -1.07 0.59 7.12 -0.71 0.20 115.31 122.88 2x3w h LEU 242 Ca 0.18 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.12 2x3w h LEU 242 Cb 0.41 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 2x3w h LEU 242 CO 0.01 0.40 0.11 0.50 -0.13 0.00 0.00 178.44 179.33 2x3w h LYS 243 N 0.65 0.78 -0.05 1.25 3.64 -0.92 -1.08 116.57 120.84 2x3w h LYS 243 Ca 0.18 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2x3w h LYS 243 Cb -0.07 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2x3w h LYS 243 CO -0.04 0.71 0.02 1.49 -2.27 0.00 0.00 179.45 179.36 2x3w h GLU 244 N 0.75 0.08 0.00 1.90 4.81 -0.60 -2.80 114.58 118.73 2x3w h GLU 244 Ca 0.16 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2x3w h GLU 244 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2x3w h GLU 244 CO -0.00 0.25 -0.20 0.28 -0.73 0.00 0.00 179.01 178.61 2x3w h VAL 245 N -0.11 0.77 -0.25 0.32 2.07 -0.63 -2.39 116.25 116.04 2x3w h VAL 245 Ca 0.02 -0.82 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 2x3w h VAL 245 Cb 0.21 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2x3w h VAL 245 CO -0.00 0.20 -0.49 -0.07 0.02 0.00 0.00 177.57 177.23 2x3w h LEU 246 N 0.00 0.73 -0.71 2.57 4.07 -1.07 -2.30 115.31 118.60 2x3w h LEU 246 Ca -0.00 -0.36 -0.14 0.00 0.08 0.00 0.00 57.88 57.46 2x3w h LEU 246 Cb 0.48 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2x3w h LEU 246 CO 0.03 1.09 -0.50 -0.07 -1.08 0.00 0.00 178.44 177.91 2x3w h LEU 247 N 0.53 0.40 0.12 1.67 -0.00 -1.19 -2.19 115.31 114.65 2x3w h LEU 247 Ca 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2x3w h LEU 247 Cb 1.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 2x3w h LEU 247 CO 0.10 0.83 -0.10 0.44 -0.00 0.00 0.00 178.44 179.71 2x3w h ASP 248 N 0.29 -0.27 -0.32 -0.43 3.32 -1.36 -2.36 116.42 115.29 2x3w h ASP 248 Ca 0.01 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2x3w h ASP 248 Cb 0.98 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2x3w h ASP 248 CO 0.08 -0.16 0.19 0.40 -1.72 0.00 0.00 179.24 178.04 2x3w h ILE 249 N -0.24 1.05 -0.55 0.35 2.04 -1.31 -2.36 117.51 116.48 2x3w h ILE 249 Ca 0.00 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2x3w h ILE 249 Cb 0.22 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2x3w h ILE 249 CO -0.02 0.07 0.23 0.50 0.00 0.00 0.00 178.15 178.93 2x3w h LYS 250 N 0.39 0.42 -0.55 2.37 3.64 -1.35 0.13 116.57 121.63 2x3w h LYS 250 Ca 0.12 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2x3w h LYS 250 Cb -0.01 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.64 2x3w h LYS 250 CO -0.05 0.28 0.16 0.00 -2.27 0.00 0.00 179.45 177.57 2x3w h ARG 251 N 0.44 0.31 -0.00 1.90 3.08 -1.03 -1.55 114.38 117.52 2x3w h ARG 251 Ca 0.26 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 2x3w h ARG 251 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2x3w h ARG 251 CO -0.23 0.20 -0.59 0.45 -1.07 0.00 0.00 179.97 178.73 2x3w h HIS 252 N 0.32 0.01 -0.01 3.04 3.86 -0.84 -2.95 115.15 118.58 2x3w h HIS 252 Ca 0.28 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 2x3w h HIS 252 Cb 0.36 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2x3w h HIS 252 CO -0.20 0.59 -0.65 -0.07 0.86 0.00 0.00 177.93 178.46 2x3w h LEU 253 N 0.00 0.04 -8.43 2.43 3.38 -0.65 -3.43 115.31 108.65 2x3w h LEU 253 Ca -0.01 -0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.40 2x3w h LEU 253 Cb 1.04 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2x3w h LEU 253 CO 0.08 0.68 1.05 0.21 0.09 0.00 0.00 178.44 180.55 2x3w s ASN 254 N -6.85 6.19 0.00 -0.43 2.47 -0.62 -4.82 114.94 110.89 2x3w s ASN 254 Ca -0.01 -0.24 0.23 0.00 0.42 0.00 0.00 52.86 53.26 2x3w s ASN 254 Cb 0.12 -2.56 0.16 0.00 -1.45 0.00 0.00 41.25 37.53 2x3w s ASN 254 CO 0.77 -1.77 1.17 0.18 -3.72 0.00 0.00 177.10 173.74 2x3w n LEU 255 N 9.30 0.72 -0.29 3.21 4.77 -1.26 -4.30 117.00 129.15 2x3w n LEU 255 Ca 0.06 -0.21 0.02 0.00 -0.03 0.00 0.00 56.01 55.84 2x3w n LEU 255 Cb 0.49 -0.13 0.15 0.00 -2.33 0.00 0.00 43.42 41.60 2x3w n LEU 255 CO 0.71 0.17 1.15 0.00 -1.33 0.00 0.00 177.39 178.09 2x3w h ALA 256 N 2.97 1.13 -0.38 -1.18 0.00 -1.99 -2.36 119.26 117.44 2x3w h ALA 256 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2x3w h ALA 256 Cb 0.51 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 2x3w h ALA 256 CO 0.00 0.14 -0.10 -0.85 0.00 0.00 0.00 179.25 178.44 2x3w n GLU 257 N -4.71 1.92 -3.04 0.00 0.28 -1.26 -4.91 120.64 108.91 2x3w n GLU 257 Ca 0.12 -3.25 -0.40 0.00 -0.16 0.00 0.00 57.16 53.48 2x3w n GLU 257 Cb 0.23 -1.85 -0.05 0.00 1.43 0.00 0.00 31.44 31.20 2x3w n GLU 257 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2x3w s ASN 258 N -2.58 6.91 0.40 -1.84 3.84 -0.89 -4.97 114.94 115.81 2x3w s ASN 258 Ca 0.45 1.10 0.14 0.00 0.21 0.00 0.00 52.86 54.77 2x3w s ASN 258 Cb 0.41 -2.40 0.82 0.00 -0.55 0.00 0.00 41.25 39.53 2x3w s ASN 258 CO -0.00 -0.20 1.88 0.77 -2.79 0.00 0.00 177.10 176.76 2x3w h SER 259 N 7.01 0.00 0.32 -4.21 4.64 -1.93 -2.08 113.55 117.30 2x3w h SER 259 Ca -0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 2x3w h SER 259 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2x3w h SER 259 CO 0.77 0.31 -0.44 0.28 -0.87 0.00 0.00 176.83 176.88 2x3w h SER 260 N 0.00 0.17 -0.39 4.97 0.02 -1.95 -1.76 113.55 114.61 2x3w h SER 260 Ca -0.00 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2x3w h SER 260 Cb 0.56 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2x3w h SER 260 CO 0.04 0.59 -0.14 0.22 -1.14 0.00 0.00 176.83 176.40 2x3w h TYR 261 N 0.13 0.89 -0.43 3.45 5.03 -1.68 -1.50 116.97 122.87 2x3w h TYR 261 Ca 0.01 -0.21 -0.05 0.00 2.58 0.00 0.00 58.73 61.06 2x3w h TYR 261 Cb 0.84 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 2x3w h TYR 261 CO 0.01 0.94 0.07 0.52 -1.32 0.00 0.00 178.16 178.38 2x3w h MET 262 N 0.59 0.66 -0.46 1.82 2.86 -1.35 -3.11 114.93 115.94 2x3w h MET 262 Ca 0.09 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2x3w h MET 262 Cb 0.68 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2x3w h MET 262 CO 0.05 0.63 -0.18 1.25 1.06 0.00 0.00 176.91 179.72 2x3w h HIS 263 N 0.63 1.06 -0.79 -0.22 -0.00 -0.92 -2.26 115.15 112.66 2x3w h HIS 263 Ca 0.14 -0.25 0.13 0.00 -0.00 0.00 0.00 60.37 60.39 2x3w h HIS 263 Cb 0.30 -0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 27.37 2x3w h HIS 263 CO 0.01 1.05 0.39 0.28 -0.00 0.00 0.00 177.93 179.66 2x3w h VAL 264 N 0.77 0.75 0.00 5.26 2.07 -1.21 0.23 116.25 124.13 2x3w h VAL 264 Ca 0.11 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2x3w h VAL 264 Cb 0.74 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2x3w h VAL 264 CO 0.06 0.11 -0.85 1.88 0.02 0.00 0.00 177.57 178.79 2x3w h TYR 265 N 0.59 0.00 -0.09 1.57 0.05 -1.59 -1.71 116.97 115.79 2x3w h TYR 265 Ca 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.20 2x3w h TYR 265 Cb 0.55 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 2x3w h TYR 265 CO -0.11 0.13 0.05 0.00 -1.05 0.00 0.00 178.16 177.18 2x3w h ARG 266 N 0.00 0.12 -0.53 4.88 2.47 -0.87 -1.92 114.38 118.53 2x3w h ARG 266 Ca -0.03 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2x3w h ARG 266 Cb 1.12 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.40 2x3w h ARG 266 CO 0.01 0.17 0.32 1.49 0.56 0.00 0.00 179.97 182.53 2x3w h GLU 267 N 0.04 0.71 -0.22 0.04 4.81 -0.93 -1.67 114.58 117.36 2x3w h GLU 267 Ca 0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2x3w h GLU 267 Cb 0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2x3w h GLU 267 CO -0.00 0.51 0.14 1.25 -0.73 0.00 0.00 179.01 180.17 2x3w h LEU 268 N 0.71 0.25 -0.94 1.64 6.46 -1.28 -1.52 115.31 120.63 2x3w h LEU 268 Ca 0.19 -0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.85 2x3w h LEU 268 Cb -0.02 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2x3w h LEU 268 CO -0.04 0.21 0.00 -0.08 -0.62 0.00 0.00 178.44 177.91 2x3w h GLU 269 N 0.28 0.78 0.20 1.25 4.81 -1.11 -1.85 114.58 118.94 2x3w h GLU 269 Ca 0.08 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2x3w h GLU 269 Cb -0.01 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2x3w h GLU 269 CO -0.02 0.79 -0.10 1.96 -0.73 0.00 0.00 179.01 180.91 2x3w h GLN 270 N 0.73 -0.26 -0.57 1.92 4.20 -1.03 0.99 115.11 121.08 2x3w h GLN 270 Ca 0.14 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.98 2x3w h GLN 270 Cb 0.44 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.20 2x3w h GLN 270 CO 0.02 -0.15 0.10 0.00 -0.67 0.00 0.00 178.83 178.13 2x3w h ALA 271 N 0.49 0.65 0.26 3.87 0.00 -1.04 -0.97 119.26 122.52 2x3w h ALA 271 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2x3w h ALA 271 Cb 0.23 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2x3w h ALA 271 CO 0.05 -0.32 -0.12 0.82 0.00 0.00 0.00 179.25 179.67 2x3w h ILE 272 N 0.23 0.80 0.00 0.00 2.04 -1.10 -2.75 117.51 116.73 2x3w h ILE 272 Ca 0.30 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2x3w h ILE 272 Cb 0.44 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2x3w h ILE 272 CO -0.40 0.12 0.05 0.54 0.00 0.00 0.00 178.15 178.46 2x3w n ARG 273 N -5.11 0.09 0.09 2.37 1.74 0.32 -0.96 116.66 115.20 2x3w n ARG 273 Ca -0.09 0.57 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2x3w n ARG 273 Cb 0.24 -1.85 0.12 0.00 -1.02 0.00 0.00 32.46 29.95 2x3w n ARG 273 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2x3w h GLY 274 N 0.00 0.00 -5.14 -0.13 0.00 -0.88 -3.46 103.07 93.46 2x3w h GLY 274 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2x3w h GLY 274 CO 0.00 0.00 0.94 0.00 0.00 0.00 0.00 176.54 177.48 2x3w n ALA 275 N -1.98 1.51 -3.82 3.60 0.00 -0.14 -4.96 120.51 114.74 2x3w n ALA 275 Ca 0.02 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 2x3w n ALA 275 Cb 0.49 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.33 2x3w n ALA 275 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3w s ASP 276 N 2.03 3.56 0.31 0.00 -1.08 -1.26 -5.02 116.67 115.21 2x3w s ASP 276 Ca 0.82 -1.18 -0.00 0.00 -0.52 0.00 0.00 52.55 51.67 2x3w s ASP 276 Cb -0.63 -0.90 0.49 0.00 -1.46 0.00 0.00 42.92 40.43 2x3w s ASP 276 CO 0.41 -0.31 1.94 0.00 0.52 0.00 0.00 175.17 177.73 2x3w h ALA 277 N 8.09 1.39 -0.30 3.66 0.00 -2.00 -2.60 119.26 127.50 2x3w h ALA 277 Ca -0.16 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 2x3w h ALA 277 Cb 1.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2x3w h ALA 277 CO 0.40 0.50 -0.28 1.96 0.00 0.00 0.00 179.25 181.83 2x3w h GLN 278 N 0.93 0.61 -0.59 0.00 1.08 -1.99 -1.05 115.11 114.10 2x3w h GLN 278 Ca 0.24 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 2x3w h GLN 278 Cb 0.01 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2x3w h GLN 278 CO -0.04 0.83 0.05 1.49 -0.95 0.00 0.00 178.83 180.21 2x3w h GLU 279 N 0.52 1.01 -0.54 1.46 4.81 -1.91 -0.43 114.58 119.50 2x3w h GLU 279 Ca 0.07 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.90 2x3w h GLU 279 Cb 0.76 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2x3w h GLU 279 CO 0.06 0.97 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.83 2x3w h ASP 280 N 0.90 0.98 -0.40 1.04 3.45 -1.27 -2.08 116.42 119.04 2x3w h ASP 280 Ca 0.17 -0.33 0.00 0.00 0.43 0.00 0.00 57.03 57.31 2x3w h ASP 280 Cb 0.49 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 2x3w h ASP 280 CO 0.02 1.08 0.25 -0.07 -1.57 0.00 0.00 179.24 178.95 2x3w h LEU 281 N 0.87 0.47 -0.82 1.55 4.07 -1.01 -1.95 115.31 118.50 2x3w h LEU 281 Ca 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 2x3w h LEU 281 Cb 0.60 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.18 2x3w h LEU 281 CO 0.04 0.37 0.48 0.03 -1.08 0.00 0.00 178.44 178.27 2x3w h ARG 282 N 0.54 1.12 -0.07 1.13 3.08 -0.93 -1.02 114.38 118.23 2x3w h ARG 282 Ca 0.15 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2x3w h ARG 282 Cb -0.03 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 2x3w h ARG 282 CO -0.03 0.80 0.02 2.35 -1.07 0.00 0.00 179.97 182.05 2x3w h TRP 283 N 1.12 0.11 -0.75 3.04 7.01 -1.19 -1.28 115.95 124.01 2x3w h TRP 283 Ca 0.29 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 2x3w h TRP 283 Cb -0.01 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 2x3w h TRP 283 CO -0.00 0.26 0.39 0.35 -2.79 0.00 0.00 178.44 176.65 2x3w h PHE 284 N -0.08 1.04 -0.87 2.65 3.04 -1.20 0.31 116.94 121.83 2x3w h PHE 284 Ca 0.02 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.03 2x3w h PHE 284 Cb 0.21 -0.33 -0.06 0.00 2.56 0.00 0.00 35.95 38.32 2x3w h PHE 284 CO -0.01 0.75 0.56 -0.09 -2.02 0.00 0.00 178.31 177.50 2x3w h ARG 285 N 1.04 0.86 0.09 1.11 2.43 -0.99 0.44 114.38 119.35 2x3w h ARG 285 Ca 0.26 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.18 2x3w h ARG 285 Cb 0.06 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2x3w h ARG 285 CO -0.04 0.57 -0.84 1.03 -1.51 0.00 0.00 179.97 179.18 2x3w h SER 286 N 0.88 0.58 -0.01 -3.80 0.87 -0.22 -1.45 113.55 110.41 2x3w h SER 286 Ca 0.40 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2x3w h SER 286 Cb 0.36 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2x3w h SER 286 CO -0.16 1.38 -0.67 0.35 -0.53 0.00 0.00 176.83 177.20 2x3w n THR 287 N -4.08 0.00 0.00 2.23 -2.24 0.00 -3.11 114.28 107.07 2x3w n THR 287 Ca -0.13 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2x3w n THR 287 Cb 0.81 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 2x3w n THR 287 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2x3w n SER 288 N -0.58 0.01 0.00 3.42 7.64 0.11 -4.98 113.62 119.24 2x3w n SER 288 Ca 0.07 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2x3w n SER 288 Cb 0.41 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2x3w n SER 288 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x3w n GLY 289 N 0.03 6.43 0.00 0.23 0.00 -0.98 -4.99 105.19 105.91 2x3w n GLY 289 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2x3w n GLY 289 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x3w n PRO 290 N 0.00 0.00 0.11 1.61 -0.04 -1.24 -0.82 135.00 134.61 2x3w n PRO 290 Ca 0.00 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2x3w n PRO 290 Cb 0.00 -1.56 0.32 0.00 -0.04 0.00 0.00 33.50 32.22 2x3w n PRO 290 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2x3w h GLY 291 N 0.00 0.00 -2.52 0.55 0.00 -1.52 -3.47 103.07 96.11 2x3w h GLY 291 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2x3w h GLY 291 CO 0.00 0.00 0.54 1.06 0.00 0.00 0.00 176.54 178.14 2x3w s MET 292 N -3.13 3.13 1.04 4.80 -1.94 -0.00 -4.86 119.30 118.33 2x3w s MET 292 Ca 0.09 2.04 -0.12 0.00 -1.71 0.00 0.00 55.69 55.99 2x3w s MET 292 Cb 0.12 -2.15 0.21 0.00 2.01 0.00 0.00 34.83 35.02 2x3w s MET 292 CO 0.64 -1.14 1.07 -1.25 -0.01 0.00 0.00 175.02 174.33 2x3w s PRO 293 N -3.03 0.06 -0.22 2.03 0.04 -1.26 -5.06 135.00 127.56 2x3w s PRO 293 Ca 0.73 0.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2x3w s PRO 293 Cb -0.36 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 32.61 2x3w s PRO 293 CO 0.41 -3.08 0.83 1.41 0.04 0.00 0.00 177.00 176.61 2x3w s MET 294 N -4.67 0.76 -0.42 4.56 1.75 -1.26 -5.13 119.30 114.89 2x3w s MET 294 Ca 0.67 0.66 -0.12 0.00 -1.25 0.00 0.00 55.69 55.65 2x3w s MET 294 Cb -0.22 0.36 0.06 0.00 2.84 0.00 0.00 34.83 37.88 2x3w s MET 294 CO 0.61 -0.14 0.29 -0.80 -0.65 0.00 0.00 175.02 174.32 2x3w s ASN 295 N -0.11 5.82 0.28 1.11 0.01 -1.26 -5.07 114.94 115.73 2x3w s ASN 295 Ca -0.01 -1.31 -0.26 0.00 -0.71 0.00 0.00 52.86 50.57 2x3w s ASN 295 Cb -0.04 -2.06 -0.09 0.00 0.41 0.00 0.00 41.25 39.47 2x3w s ASN 295 CO 0.01 -0.53 0.91 0.26 -1.51 0.00 0.00 177.10 176.24 2x3w s TRP 296 N 1.52 3.77 0.60 2.20 0.52 -1.26 -4.98 118.94 121.31 2x3w s TRP 296 Ca 0.03 1.76 -0.18 0.00 0.02 0.00 0.00 56.10 57.74 2x3w s TRP 296 Cb -0.22 -2.89 -0.09 0.00 -1.15 0.00 0.00 33.47 29.12 2x3w s TRP 296 CO 0.05 0.30 0.44 -2.30 0.02 0.00 0.00 176.95 175.46 2x3w n PRO 297 N 0.85 0.42 -3.94 4.98 -0.02 -1.26 -5.03 135.00 131.00 2x3w n PRO 297 Ca 0.00 0.17 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 2x3w n PRO 297 Cb 0.49 -1.65 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 2x3w n PRO 297 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2x3w s GLN 298 N -2.10 1.63 0.25 -0.52 -2.07 -1.26 -5.13 119.66 110.46 2x3w s GLN 298 Ca 0.67 -1.14 -0.31 0.00 -1.82 0.00 0.00 55.36 52.76 2x3w s GLN 298 Cb -0.43 0.52 -0.11 0.00 -1.09 0.00 0.00 33.01 31.91 2x3w s GLN 298 CO 0.56 -0.71 1.60 0.12 -1.32 0.00 0.00 175.29 175.55 2x3w s PHE 299 N -3.98 2.86 -0.22 9.60 2.19 -1.26 -4.96 117.98 122.21 2x3w s PHE 299 Ca 0.18 0.69 0.02 0.00 0.33 0.00 0.00 56.93 58.14 2x3w s PHE 299 Cb -0.03 -4.04 0.05 0.00 -1.31 0.00 0.00 43.02 37.69 2x3w s PHE 299 CO 0.08 -3.63 -0.13 -2.00 1.83 0.00 0.00 175.22 171.37 2x3w s GLU 300 N 0.09 2.32 0.56 10.12 2.12 -1.26 -5.11 118.70 127.54 2x3w s GLU 300 Ca 0.66 -1.05 -0.16 0.00 0.36 0.00 0.00 54.97 54.78 2x3w s GLU 300 Cb -0.47 -2.65 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 2x3w s GLU 300 CO 0.42 -0.44 1.02 -1.21 -0.54 0.00 0.00 175.26 174.51 2x3w s GLU 301 N 1.25 3.61 -0.10 4.30 2.02 -1.26 -5.00 118.70 123.53 2x3w s GLU 301 Ca -0.03 1.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.75 2x3w s GLU 301 Cb -0.17 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 2x3w s GLU 301 CO -0.08 -0.56 1.18 -0.46 0.02 0.00 0.00 175.26 175.35 2x3w s TRP 302 N -2.53 3.18 0.00 1.61 -0.00 -1.26 -5.05 118.94 114.88 2x3w s TRP 302 Ca 0.61 1.24 0.00 0.00 -0.00 0.00 0.00 56.10 57.96 2x3w s TRP 302 Cb -0.13 -3.40 0.00 0.00 -0.00 0.00 0.00 33.47 29.94 2x3w s TRP 302 CO 0.34 -1.19 0.00 -1.71 -0.00 0.00 0.00 176.95 174.39 2x3w n ASN 303 N 5.52 0.00 0.00 5.86 5.15 -1.26 -5.37 115.26 125.17 2x3w n ASN 303 Ca 0.11 -0.92 0.05 0.00 -0.60 0.00 0.00 54.58 53.22 2x3w n ASN 303 Cb 0.46 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.00 2x3w n ASN 303 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85