#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2g n SER 2 N 0.00 0.00 -0.10 6.12 2.88 -1.26 0.73 113.62 121.98 1r2g n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1r2g n SER 2 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1r2g n SER 2 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1r2g h GLN 3 N 0.00 0.34 0.51 -1.46 -0.00 -2.01 -0.55 115.11 111.94 1r2g h GLN 3 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1r2g h GLN 3 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.38 1r2g h GLN 3 CO 0.00 0.23 -0.46 0.77 0.00 0.00 0.00 178.83 179.36 1r2g h SER 4 N 0.35 -1.25 -0.94 -0.69 0.02 -0.25 -2.27 113.55 108.52 1r2g h SER 4 Ca 0.15 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1r2g h SER 4 Cb 0.07 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1r2g h SER 4 CO -0.11 -0.64 0.61 0.78 -1.14 0.00 0.00 176.83 176.34 1r2g h ASN 5 N -0.97 1.00 -0.39 3.07 -0.26 0.40 -1.18 115.58 117.26 1r2g h ASN 5 Ca -0.06 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1r2g h ASN 5 Cb 0.83 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.85 1r2g h ASN 5 CO -0.04 0.67 0.15 0.03 -1.06 0.00 0.00 177.43 177.19 1r2g h ARG 6 N 1.15 0.65 -0.34 0.81 3.08 -0.94 0.45 114.38 119.23 1r2g h ARG 6 Ca 0.38 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 60.17 1r2g h ARG 6 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1r2g h ARG 6 CO -0.12 0.56 -0.43 1.49 -1.07 0.00 0.00 179.97 180.39 1r2g h GLU 7 N 0.64 0.87 -0.49 0.04 4.81 -0.73 -2.02 114.58 117.69 1r2g h GLU 7 Ca 0.15 -0.48 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1r2g h GLU 7 Cb 0.17 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1r2g h GLU 7 CO -0.01 1.12 0.11 1.25 -0.73 0.00 0.00 179.01 180.75 1r2g h LEU 8 N 0.70 0.76 -0.25 1.64 5.85 -0.43 -1.91 115.31 121.66 1r2g h LEU 8 Ca 0.05 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1r2g h LEU 8 Cb 1.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1r2g h LEU 8 CO 0.10 0.81 -0.05 0.58 -0.34 0.00 0.00 178.44 179.54 1r2g h VAL 9 N 0.68 1.28 0.00 1.05 2.07 -0.87 -2.55 116.25 117.91 1r2g h VAL 9 Ca 0.15 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1r2g h VAL 9 Cb 0.35 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1r2g h VAL 9 CO 0.00 0.32 -0.34 0.58 0.02 0.00 0.00 177.57 178.16 1r2g h VAL 10 N 0.22 1.20 -0.21 2.57 2.07 -1.35 -1.69 116.25 119.06 1r2g h VAL 10 Ca 0.07 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 1r2g h VAL 10 Cb 0.50 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1r2g h VAL 10 CO 0.02 0.33 -0.23 -0.78 0.02 0.00 0.00 177.57 176.93 1r2g h ASP 11 N 0.00 0.57 -0.27 0.57 3.58 -1.26 -1.55 116.42 118.06 1r2g h ASP 11 Ca -0.00 -0.49 -0.03 0.00 0.42 0.00 0.00 57.03 56.93 1r2g h ASP 11 Cb 0.61 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1r2g h ASP 11 CO 0.04 0.94 0.06 0.15 -2.88 0.00 0.00 179.24 177.56 1r2g h PHE 12 N 0.21 0.46 -0.60 0.28 3.04 -1.14 0.32 116.94 119.51 1r2g h PHE 12 Ca 0.03 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 1r2g h PHE 12 Cb 0.79 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 1r2g h PHE 12 CO 0.08 0.52 0.14 -0.07 -2.02 0.00 0.00 178.31 176.95 1r2g h LEU 13 N 0.27 0.92 -0.44 0.59 3.38 -1.36 0.50 115.31 119.17 1r2g h LEU 13 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1r2g h LEU 13 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1r2g h LEU 13 CO 0.00 0.92 0.28 0.28 0.09 0.00 0.00 178.44 180.02 1r2g h SER 14 N 0.88 0.52 -0.98 -0.43 0.02 -1.16 0.10 113.55 112.51 1r2g h SER 14 Ca 0.19 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1r2g h SER 14 Cb 0.37 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1r2g h SER 14 CO 0.00 0.40 0.64 0.22 -1.14 0.00 0.00 176.83 176.96 1r2g h TYR 15 N 0.59 1.20 -0.10 3.45 3.20 -0.47 -0.39 116.97 124.45 1r2g h TYR 15 Ca 0.16 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 1r2g h TYR 15 Cb -0.04 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.83 1r2g h TYR 15 CO -0.04 0.69 -0.32 -0.22 -1.64 0.00 0.00 178.16 176.63 1r2g h LYS 16 N 1.24 0.40 -0.59 1.82 1.63 -0.16 -2.25 116.57 118.66 1r2g h LYS 16 Ca 0.39 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1r2g h LYS 16 Cb 0.01 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1r2g h LYS 16 CO -0.12 0.91 0.29 -0.07 -3.45 0.00 0.00 179.45 177.01 1r2g h LEU 17 N -0.04 0.76 0.22 5.20 3.38 -0.60 -1.40 115.31 122.83 1r2g h LEU 17 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1r2g h LEU 17 Cb 0.94 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1r2g h LEU 17 CO 0.07 0.66 -0.18 -1.28 0.09 0.00 0.00 178.44 177.80 1r2g h SER 18 N 0.80 -0.47 -0.95 -0.43 0.87 -1.11 0.30 113.55 112.55 1r2g h SER 18 Ca 0.20 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.89 1r2g h SER 18 Cb 0.10 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.14 1r2g h SER 18 CO -0.03 -0.28 0.60 -0.61 -0.53 0.00 0.00 176.83 175.98 1r2g h GLN 19 N -0.42 0.99 -0.07 2.24 4.15 -1.24 -1.87 115.11 118.90 1r2g h GLN 19 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1r2g h GLN 19 Cb 0.38 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1r2g h GLN 19 CO -0.02 0.66 0.00 1.63 -1.93 0.00 0.00 178.83 179.17 1r2g n LYS 20 N -4.60 1.26 -0.68 1.69 4.76 -0.54 -4.89 118.16 115.15 1r2g n LYS 20 Ca 0.16 -0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1r2g n LYS 20 Cb 0.25 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1r2g n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r2g n GLY 21 N 0.87 0.59 3.85 0.72 0.00 -0.70 -5.06 105.19 105.45 1r2g n GLY 21 Ca 0.13 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1r2g n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r2g s TYR 22 N -2.00 2.42 0.52 1.61 2.02 0.10 -5.01 117.35 117.01 1r2g s TYR 22 Ca 0.00 -0.60 -0.09 0.00 -0.37 0.00 0.00 57.07 56.01 1r2g s TYR 22 Cb 0.00 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1r2g s TYR 22 CO 0.00 -0.13 0.89 0.45 -1.57 0.00 0.00 175.55 175.19 1r2g s SER 23 N -4.11 6.34 -0.06 2.29 0.15 -1.26 -3.86 113.70 113.18 1r2g s SER 23 Ca 0.43 1.21 0.09 0.00 0.70 0.00 0.00 55.95 58.38 1r2g s SER 23 Cb -0.01 -2.37 0.14 0.00 -1.71 0.00 0.00 66.02 62.08 1r2g s SER 23 CO 0.25 -0.65 1.03 -2.67 1.20 0.00 0.00 173.24 172.41 1r2g n TRP 24 N -2.17 0.00 -0.32 3.44 2.14 -1.26 -4.75 117.44 114.51 1r2g n TRP 24 Ca 0.03 -0.58 0.00 0.00 2.07 0.00 0.00 57.50 59.03 1r2g n TRP 24 Cb 0.54 -0.10 0.13 0.00 -0.81 0.00 0.00 31.31 31.08 1r2g n TRP 24 CO 0.00 0.00 0.00 0.77 2.07 0.00 0.00 177.69 180.53 1r2g h SER 25 N 0.00 0.91 0.00 -0.67 0.02 -2.00 -3.12 113.55 108.69 1r2g h SER 25 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1r2g h SER 25 Cb 1.02 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1r2g h SER 25 CO 0.00 0.60 0.09 0.00 -1.14 0.00 0.00 176.83 176.38 1r2g n GLN 26 N -4.57 0.00 -0.36 3.45 1.13 -1.26 -5.17 117.38 110.61 1r2g n GLN 26 Ca 0.12 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1r2g n GLN 26 Cb 0.14 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.90 1r2g n GLN 26 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1r2g n PHE 27 N -0.98 -0.69 -0.89 1.08 3.72 -1.18 -4.58 117.46 113.94 1r2g n PHE 27 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1r2g n PHE 27 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1r2g n PHE 27 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1r2g n ILE 81 N -0.23 0.00 -0.65 4.37 5.41 -1.26 -5.12 119.36 121.88 1r2g n ILE 81 Ca 0.00 -0.44 -0.12 0.00 1.00 0.00 0.00 62.75 63.19 1r2g n ILE 81 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 1r2g n ILE 81 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1r2g n PRO 82 N 3.19 1.48 -2.10 0.38 -0.04 -1.26 -4.77 135.00 131.89 1r2g n PRO 82 Ca 0.00 -0.86 -0.39 0.00 -0.04 0.00 0.00 63.50 62.21 1r2g n PRO 82 Cb 0.24 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1r2g n PRO 82 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1r2g s MET 83 N 2.27 3.97 0.58 0.54 -1.94 -1.26 -4.82 119.30 118.64 1r2g s MET 83 Ca 0.40 2.10 0.28 0.00 -1.71 0.00 0.00 55.69 56.76 1r2g s MET 83 Cb 0.16 -2.74 1.50 0.00 2.01 0.00 0.00 34.83 35.77 1r2g s MET 83 CO -0.01 -0.47 1.94 0.00 -0.01 0.00 0.00 175.02 176.47 1r2g h ALA 84 N 2.66 2.18 -0.35 3.03 0.00 -1.99 0.14 119.26 124.92 1r2g h ALA 84 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1r2g h ALA 84 Cb 1.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1r2g h ALA 84 CO 0.62 -0.65 0.19 0.00 0.00 0.00 0.00 179.25 179.41 1r2g h ALA 85 N 1.55 0.45 -0.04 0.00 0.00 -1.95 0.14 119.26 119.41 1r2g h ALA 85 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1r2g h ALA 85 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1r2g h ALA 85 CO -0.00 -0.01 0.00 0.28 0.00 0.00 0.00 179.25 179.52 1r2g h VAL 86 N 0.45 1.23 -0.22 0.00 2.07 -1.06 -0.85 116.25 117.87 1r2g h VAL 86 Ca 0.12 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1r2g h VAL 86 Cb 0.07 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1r2g h VAL 86 CO -0.02 0.18 -0.05 0.11 0.02 0.00 0.00 177.57 177.81 1r2g h LYS 87 N -0.21 0.00 -0.35 1.57 1.57 -1.22 0.10 116.57 118.04 1r2g h LYS 87 Ca 0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1r2g h LYS 87 Cb 0.29 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1r2g h LYS 87 CO 0.00 0.00 0.17 0.37 -0.57 0.00 0.00 179.45 179.43 1r2g h GLN 88 N 0.00 0.50 -0.97 3.15 5.75 -0.70 -1.16 115.11 121.68 1r2g h GLN 88 Ca 0.11 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1r2g h GLN 88 Cb 0.16 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 1r2g h GLN 88 CO -0.23 0.45 0.63 0.00 -2.65 0.00 0.00 178.83 177.03 1r2g h ALA 89 N 1.03 1.30 -0.37 3.38 0.00 -0.74 -1.74 119.26 122.12 1r2g h ALA 89 Ca 0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1r2g h ALA 89 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1r2g h ALA 89 CO -0.02 0.49 -0.37 1.25 0.00 0.00 0.00 179.25 180.60 1r2g h LEU 90 N 1.20 0.94 -0.12 0.00 5.85 -0.48 -0.51 115.31 122.19 1r2g h LEU 90 Ca 0.40 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1r2g h LEU 90 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1r2g h LEU 90 CO -0.14 1.20 0.08 0.03 -0.34 0.00 0.00 178.44 179.28 1r2g h ARG 91 N 0.73 0.16 -0.32 1.25 3.08 -0.80 -0.43 114.38 118.05 1r2g h ARG 91 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1r2g h ARG 91 Cb 0.95 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1r2g h ARG 91 CO 0.09 0.11 0.17 0.93 -1.07 0.00 0.00 179.97 180.21 1r2g h GLU 92 N 0.16 0.46 -1.00 0.04 5.08 -1.24 -1.79 114.58 116.28 1r2g h GLU 92 Ca 0.05 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1r2g h GLU 92 Cb -0.01 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1r2g h GLU 92 CO -0.01 0.39 0.65 0.00 -1.00 0.00 0.00 179.01 179.04 1r2g h ALA 93 N 1.04 1.37 -0.27 3.43 0.00 -0.85 -0.32 119.26 123.66 1r2g h ALA 93 Ca 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1r2g h ALA 93 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1r2g h ALA 93 CO -0.02 0.48 -0.27 0.78 0.00 0.00 0.00 179.25 180.22 1r2g h GLY 94 N 1.21 0.59 0.79 0.00 0.00 -0.67 0.03 103.07 105.02 1r2g h GLY 94 Ca 0.42 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1r2g h GLY 94 CO -0.16 0.46 -0.18 -0.55 0.00 0.00 0.00 176.54 176.10 1r2g h ASP 95 N 0.47 0.47 -0.39 0.19 3.32 -0.57 -1.82 116.42 118.09 1r2g h ASP 95 Ca 0.06 -0.48 0.07 0.00 0.02 0.00 0.00 57.03 56.70 1r2g h ASP 95 Cb 0.72 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 1r2g h ASP 95 CO 0.06 0.85 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.35 1r2g h GLU 96 N 0.09 0.10 0.10 3.56 4.57 -0.93 -1.20 114.58 120.87 1r2g h GLU 96 Ca 0.03 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1r2g h GLU 96 Cb 0.73 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1r2g h GLU 96 CO 0.05 0.06 -0.17 2.35 -1.18 0.00 0.00 179.01 180.12 1r2g h TRP 97 N 0.10 -0.45 0.00 0.92 7.01 -0.85 -1.67 115.95 121.00 1r2g h TRP 97 Ca 0.19 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1r2g h TRP 97 Cb 0.27 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1r2g h TRP 97 CO -0.27 -0.26 0.00 0.93 -2.79 0.00 0.00 178.44 176.06 1r2g h GLU 98 N -0.34 0.00 -0.04 2.65 5.08 -1.00 -2.35 114.58 118.59 1r2g h GLU 98 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1r2g h GLU 98 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1r2g h GLU 98 CO -0.09 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.11 1r2g h LEU 99 N 0.00 0.12 0.00 1.33 5.85 -0.26 -3.37 115.31 118.97 1r2g h LEU 99 Ca 0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1r2g h LEU 99 Cb 0.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1r2g h LEU 99 CO 0.00 0.63 0.00 0.54 -0.34 0.00 0.00 178.44 179.27 1r2g n ARG 100 N -4.74 0.00 -1.75 1.25 1.74 -0.90 -4.60 116.66 107.67 1r2g n ARG 100 Ca -0.08 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 1r2g n ARG 100 Cb 0.31 -0.09 -0.03 0.00 -1.02 0.00 0.00 32.46 31.63 1r2g n ARG 100 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1r2g s TYR 101 N 0.00 1.36 -1.59 -1.55 1.51 -1.11 -4.81 117.35 111.17 1r2g s TYR 101 Ca 0.00 0.88 0.19 0.00 -1.01 0.00 0.00 57.07 57.12 1r2g s TYR 101 Cb 0.00 -3.90 0.55 0.00 -0.11 0.00 0.00 41.96 38.50 1r2g s TYR 101 CO 0.00 -3.15 1.46 2.89 -1.11 0.00 0.00 175.55 175.64 1r2g n ARG 102 N 8.81 2.85 0.07 -0.62 1.85 -1.26 -4.39 116.66 123.96 1r2g n ARG 102 Ca 0.29 -2.51 -0.11 0.00 -1.00 0.00 0.00 57.85 54.51 1r2g n ARG 102 Cb 0.49 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 30.34 1r2g n ARG 102 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1r2g h ARG 103 N 3.60 -0.32 -0.31 2.89 2.43 -1.92 -3.47 114.38 117.28 1r2g h ARG 103 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1r2g h ARG 103 Cb 0.96 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1r2g h ARG 103 CO 0.02 -0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.27 1r2g n ALA 104 N -2.54 0.00 -4.34 2.80 0.00 -1.26 -4.30 120.51 110.86 1r2g n ALA 104 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 1r2g n ALA 104 Cb 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 1r2g n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r2g n PHE 105 N -1.38 -1.37 -0.34 0.00 3.01 -1.26 -4.81 117.46 111.31 1r2g n PHE 105 Ca 0.00 0.70 0.13 0.00 1.01 0.00 0.00 57.45 59.29 1r2g n PHE 105 Cb 0.21 -2.58 0.32 0.00 -0.01 0.00 0.00 39.48 37.42 1r2g n PHE 105 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1r2g h SER 106 N -1.38 0.68 0.62 4.37 0.02 -1.99 -1.53 113.55 114.35 1r2g h SER 106 Ca -0.62 0.11 -0.28 0.00 -0.84 0.00 0.00 61.79 60.17 1r2g h SER 106 Cb 1.39 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1r2g h SER 106 CO 0.79 0.20 -1.32 -2.24 -1.14 0.00 0.00 176.83 173.12 1r2g h ASP 107 N 0.67 0.34 0.80 3.07 3.04 -1.96 -2.96 116.42 119.42 1r2g h ASP 107 Ca 0.58 -0.40 -0.04 0.00 -3.24 0.00 0.00 57.03 53.93 1r2g h ASP 107 Cb 0.96 -0.11 0.01 0.00 -1.04 0.00 0.00 39.33 39.15 1r2g h ASP 107 CO -0.42 1.32 -0.38 -0.07 -2.04 0.00 0.00 179.24 177.65 1r2g h LEU 108 N 0.06 -0.91 -2.41 0.15 3.38 -1.76 0.17 115.31 113.99 1r2g h LEU 108 Ca -0.16 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1r2g h LEU 108 Cb 1.96 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.94 1r2g h LEU 108 CO 0.18 -0.57 0.16 0.71 0.09 0.00 0.00 178.44 179.00 1r2g h THR 109 N -1.22 0.26 0.08 0.22 1.35 -1.45 0.28 112.91 112.43 1r2g h THR 109 Ca -0.11 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.50 1r2g h THR 109 Cb 0.84 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1r2g h THR 109 CO 0.18 0.00 -1.11 0.77 -0.25 0.00 0.00 175.52 175.11 1r2g h SER 110 N 0.00 0.41 0.38 5.36 4.64 -1.29 1.15 113.55 124.20 1r2g h SER 110 Ca 0.04 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 1r2g h SER 110 Cb 0.36 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1r2g h SER 110 CO -0.00 1.26 -0.44 1.56 -0.87 0.00 0.00 176.83 178.35 1r2g h GLN 111 N 0.11 0.08 0.00 4.77 4.20 0.16 -3.25 115.11 121.17 1r2g h GLN 111 Ca -0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1r2g h GLN 111 Cb 1.81 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.58 1r2g h GLN 111 CO 0.18 0.50 -0.13 1.25 -0.67 0.00 0.00 178.83 179.96 1r2g h LEU 112 N 0.06 0.00 -2.96 1.46 5.85 -0.84 -3.49 115.31 115.40 1r2g h LEU 112 Ca 0.00 -0.43 -0.30 0.00 0.84 0.00 0.00 57.88 57.99 1r2g h LEU 112 Cb 0.80 0.00 0.07 0.00 0.37 0.00 0.00 40.66 41.90 1r2g h LEU 112 CO 0.06 0.79 -0.72 1.57 -0.34 0.00 0.00 178.44 179.80 1r2g n HIS 113 N -4.67 -2.29 -1.65 1.25 -0.00 0.39 -4.80 115.22 103.45 1r2g n HIS 113 Ca -0.07 0.75 -0.45 0.00 -0.00 0.00 0.00 57.72 57.95 1r2g n HIS 113 Cb 0.26 -3.63 -0.04 0.00 -0.00 0.00 0.00 29.99 26.58 1r2g n HIS 113 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1r2g n ILE 114 N -3.19 0.60 -4.37 3.57 0.13 -1.26 -4.98 119.36 109.85 1r2g n ILE 114 Ca -0.10 -0.19 -0.19 0.00 -1.10 0.00 0.00 62.75 61.18 1r2g n ILE 114 Cb 0.59 -2.15 -0.10 0.00 -0.84 0.00 0.00 39.64 37.13 1r2g n ILE 114 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1r2g s THR 115 N 5.14 1.19 -0.07 9.51 -4.23 -1.26 -4.99 115.64 120.93 1r2g s THR 115 Ca 0.94 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.63 1r2g s THR 115 Cb -0.54 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.09 1r2g s THR 115 CO 0.45 -0.27 1.70 -0.65 -0.54 0.00 0.00 174.62 175.32 1r2g h PRO 116 N 2.37 0.00 -0.00 3.99 0.11 -1.98 -1.35 132.00 135.15 1r2g h PRO 116 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1r2g h PRO 116 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1r2g h PRO 116 CO 0.66 0.00 -0.63 0.41 -0.21 0.00 0.00 178.00 178.23 1r2g n GLY 117 N -1.27 -1.04 3.74 -0.55 0.00 -1.26 -4.95 105.19 99.87 1r2g n GLY 117 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1r2g n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r2g n THR 118 N -1.33 0.90 -3.93 2.61 -1.04 -0.51 -5.01 114.28 105.97 1r2g n THR 118 Ca 0.06 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 1r2g n THR 118 Cb 0.34 -1.98 -0.04 0.00 -1.82 0.00 0.00 70.33 66.84 1r2g n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r2g s ALA 119 N 0.14 3.99 0.35 2.41 0.00 -1.26 -4.98 121.76 122.41 1r2g s ALA 119 Ca 0.65 -0.87 0.15 0.00 0.00 0.00 0.00 51.96 51.89 1r2g s ALA 119 Cb -0.49 -1.81 1.08 0.00 0.00 0.00 0.00 23.12 21.89 1r2g s ALA 119 CO 0.46 0.79 1.68 -0.92 0.00 0.00 0.00 175.76 177.78 1r2g h TYR 120 N 2.98 0.91 -0.49 0.00 3.20 -2.00 0.82 116.97 122.39 1r2g h TYR 120 Ca -0.45 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.54 1r2g h TYR 120 Cb 1.16 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1r2g h TYR 120 CO 0.60 -0.12 0.33 -0.56 -1.64 0.00 0.00 178.16 176.77 1r2g h GLN 121 N 0.36 0.27 -0.04 1.82 -0.00 -1.99 0.29 115.11 115.82 1r2g h GLN 121 Ca 0.72 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 59.10 1r2g h GLN 121 Cb 1.64 -0.06 0.02 0.00 -0.00 0.00 0.00 27.48 29.08 1r2g h GLN 121 CO -0.56 0.18 -0.97 0.77 -0.00 0.00 0.00 178.83 178.25 1r2g h SER 122 N 0.27 0.90 -0.36 0.06 0.02 -1.24 -2.19 113.55 111.01 1r2g h SER 122 Ca 0.22 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1r2g h SER 122 Cb 0.53 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1r2g h SER 122 CO -0.05 1.48 0.24 0.15 -1.14 0.00 0.00 176.83 177.51 1r2g h PHE 123 N 0.42 0.45 -0.79 3.45 3.57 -1.22 -2.35 116.94 120.48 1r2g h PHE 123 Ca -0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1r2g h PHE 123 Cb 1.61 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 1r2g h PHE 123 CO 0.10 0.28 0.47 1.49 -2.23 0.00 0.00 178.31 178.41 1r2g h GLU 124 N 0.48 1.08 -0.50 1.11 4.81 -0.95 -0.97 114.58 119.64 1r2g h GLU 124 Ca 0.13 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1r2g h GLU 124 Cb -0.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1r2g h GLU 124 CO -0.03 0.77 0.22 1.96 -0.73 0.00 0.00 179.01 181.19 1r2g h GLN 125 N 1.08 0.74 -0.23 1.92 4.20 -1.13 -1.18 115.11 120.50 1r2g h GLN 125 Ca 0.28 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1r2g h GLN 125 Cb -0.02 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1r2g h GLN 125 CO -0.05 0.64 -0.10 0.28 -0.67 0.00 0.00 178.83 178.93 1r2g h VAL 126 N 0.67 1.30 -0.47 -0.54 2.07 -1.17 -3.12 116.25 114.98 1r2g h VAL 126 Ca 0.17 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1r2g h VAL 126 Cb 0.16 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1r2g h VAL 126 CO -0.02 0.35 0.10 0.58 0.02 0.00 0.00 177.57 178.61 1r2g h VAL 127 N 0.18 1.21 -0.50 2.57 2.07 -1.13 -1.59 116.25 119.06 1r2g h VAL 127 Ca 0.05 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.95 1r2g h VAL 127 Cb 0.58 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1r2g h VAL 127 CO 0.03 0.28 0.48 0.78 0.02 0.00 0.00 177.57 179.16 1r2g h ASN 128 N 0.69 0.00 -0.81 0.57 -0.26 -1.15 0.22 115.58 114.84 1r2g h ASN 128 Ca 0.15 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.97 1r2g h ASN 128 Cb 0.28 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.48 1r2g h ASN 128 CO -0.00 0.00 0.48 -0.33 -1.06 0.00 0.00 177.43 176.52 1r2g h GLU 129 N 0.00 0.81 0.00 0.81 4.39 -1.34 -0.53 114.58 118.72 1r2g h GLU 129 Ca 0.24 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1r2g h GLU 129 Cb 1.20 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1r2g h GLU 129 CO -0.00 0.54 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.31 1r2g h LEU 130 N 0.84 0.00 -3.51 1.33 3.38 -0.70 -2.71 115.31 113.93 1r2g h LEU 130 Ca 0.37 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.13 1r2g h LEU 130 Cb 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 1r2g h LEU 130 CO -0.21 0.00 0.13 0.49 0.09 0.00 0.00 178.44 178.94 1r2g n PHE 131 N -4.20 1.63 -0.25 1.13 3.72 -0.23 -4.73 117.46 114.53 1r2g n PHE 131 Ca -0.03 -1.46 0.05 0.00 -0.05 0.00 0.00 57.45 55.97 1r2g n PHE 131 Cb 0.09 -0.57 0.17 0.00 -0.94 0.00 0.00 39.48 38.23 1r2g n PHE 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r2g h ARG 132 N 1.39 0.18 -0.98 -1.08 2.47 -1.18 0.47 114.38 115.64 1r2g h ARG 132 Ca 0.27 -0.01 -0.47 0.00 -1.26 0.00 0.00 59.98 58.51 1r2g h ARG 132 Cb 1.95 -0.04 -0.28 0.00 -1.65 0.00 0.00 29.97 29.95 1r2g h ARG 132 CO 0.54 0.12 0.59 -0.25 0.56 0.00 0.00 179.97 181.54 1r2g n ASP 133 N -5.24 3.78 0.00 7.04 8.00 -1.26 -5.04 116.55 123.82 1r2g n ASP 133 Ca 0.14 -3.48 0.00 0.00 0.71 0.00 0.00 54.79 52.16 1r2g n ASP 133 Cb 0.47 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1r2g n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2g n GLY 134 N -0.97 -3.24 3.90 0.44 0.00 0.15 -5.00 105.19 100.47 1r2g n GLY 134 Ca 0.55 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1r2g n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r2g s VAL 135 N -0.89 5.08 0.10 1.61 1.01 -1.26 -4.62 120.40 121.42 1r2g s VAL 135 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1r2g s VAL 135 Cb 0.00 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1r2g s VAL 135 CO 0.00 -0.18 0.79 0.54 0.00 0.00 0.00 175.10 176.25 1r2g s ASN 136 N -2.89 -0.40 0.20 3.32 2.20 -1.26 -5.04 114.94 111.07 1r2g s ASN 136 Ca 0.43 -0.12 -0.11 0.00 -0.94 0.00 0.00 52.86 52.12 1r2g s ASN 136 Cb -0.11 0.50 0.25 0.00 -2.00 0.00 0.00 41.25 39.89 1r2g s ASN 136 CO 0.27 -0.85 1.71 -0.50 -2.94 0.00 0.00 177.10 174.80 1r2g h TRP 137 N 2.00 0.19 -0.97 1.54 4.06 -1.99 -2.00 115.95 118.77 1r2g h TRP 137 Ca -0.26 0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.81 1r2g h TRP 137 Cb 1.26 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.35 1r2g h TRP 137 CO 0.28 -0.01 0.61 0.78 -3.56 0.00 0.00 178.44 176.54 1r2g h GLY 138 N 0.26 1.52 2.00 1.49 0.00 -2.00 -1.95 103.07 104.39 1r2g h GLY 138 Ca 0.29 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 1r2g h GLY 138 CO -0.37 0.24 -0.59 3.21 0.00 0.00 0.00 176.54 179.04 1r2g h ARG 139 N 1.05 0.00 -0.60 4.80 3.08 -1.77 -2.17 114.38 118.76 1r2g h ARG 139 Ca 0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.41 1r2g h ARG 139 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1r2g h ARG 139 CO -0.21 0.59 0.05 0.82 -1.07 0.00 0.00 179.97 180.14 1r2g h ILE 140 N 0.00 1.26 -0.34 2.04 2.04 -0.69 0.27 117.51 122.09 1r2g h ILE 140 Ca -0.01 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1r2g h ILE 140 Cb 1.22 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1r2g h ILE 140 CO 0.08 0.39 0.10 0.58 0.00 0.00 0.00 178.15 179.30 1r2g h VAL 141 N 0.93 1.21 -0.95 1.67 2.07 -1.21 -1.88 116.25 118.09 1r2g h VAL 141 Ca 0.18 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1r2g h VAL 141 Cb 0.49 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1r2g h VAL 141 CO 0.02 0.24 0.62 0.00 0.02 0.00 0.00 177.57 178.47 1r2g h ALA 142 N 0.94 1.48 -0.12 1.67 0.00 -1.12 -0.04 119.26 122.07 1r2g h ALA 142 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1r2g h ALA 142 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1r2g h ALA 142 CO -0.00 0.37 -0.04 0.35 0.00 0.00 0.00 179.25 179.93 1r2g h PHE 143 N 1.08 -0.09 -0.34 0.00 3.57 -0.35 0.57 116.94 121.37 1r2g h PHE 143 Ca 0.42 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1r2g h PHE 143 Cb 0.22 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1r2g h PHE 143 CO -0.00 -0.07 0.11 0.74 -2.23 0.00 0.00 178.31 176.86 1r2g h PHE 144 N -0.02 0.54 -0.95 0.41 0.04 -0.72 -1.64 116.94 114.60 1r2g h PHE 144 Ca 0.06 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.86 1r2g h PHE 144 Cb 0.11 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.04 1r2g h PHE 144 CO -0.17 0.53 0.61 1.03 -0.60 0.00 0.00 178.31 179.71 1r2g h SER 145 N 0.40 0.94 -0.19 2.17 0.87 -0.64 -0.82 113.55 116.28 1r2g h SER 145 Ca 0.11 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1r2g h SER 145 Cb 0.23 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1r2g h SER 145 CO -0.01 0.58 0.01 0.15 -0.53 0.00 0.00 176.83 177.03 1r2g h PHE 146 N 1.05 0.35 -0.95 2.24 3.57 0.61 -2.05 116.94 121.76 1r2g h PHE 146 Ca 0.42 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.93 1r2g h PHE 146 Cb 0.26 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1r2g h PHE 146 CO -0.00 0.51 0.61 0.78 -2.23 0.00 0.00 178.31 177.98 1r2g h GLY 147 N 0.08 1.41 1.00 2.40 0.00 -0.55 -1.74 103.07 105.69 1r2g h GLY 147 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1r2g h GLY 147 CO 0.01 0.31 0.44 -1.33 0.00 0.00 0.00 176.54 175.97 1r2g h GLY 148 N 1.09 0.97 1.41 4.60 0.00 -0.82 -1.90 103.07 108.42 1r2g h GLY 148 Ca 0.41 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1r2g h GLY 148 CO -0.16 0.37 0.01 0.00 0.00 0.00 0.00 176.54 176.76 1r2g h ALA 149 N 1.24 1.18 -0.47 3.60 0.00 -0.63 -2.36 119.26 121.82 1r2g h ALA 149 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1r2g h ALA 149 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1r2g h ALA 149 CO -0.05 0.54 0.23 -0.07 0.00 0.00 0.00 179.25 179.90 1r2g h LEU 150 N 0.68 0.60 -0.32 0.00 3.38 -0.74 -1.05 115.31 117.86 1r2g h LEU 150 Ca 0.14 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1r2g h LEU 150 Cb 0.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1r2g h LEU 150 CO 0.01 0.55 0.20 0.00 0.09 0.00 0.00 178.44 179.29 1r2g h VAL 152 N 0.41 0.98 -0.84 0.00 2.07 -1.22 -1.20 116.25 116.45 1r2g h VAL 152 Ca 0.12 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1r2g h VAL 152 Cb -0.03 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1r2g h VAL 152 CO -0.04 0.04 0.55 -0.08 0.02 0.00 0.00 177.57 178.06 1r2g h GLU 153 N 0.24 1.11 -0.44 1.57 4.81 -0.87 -1.46 114.58 119.54 1r2g h GLU 153 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1r2g h GLU 153 Cb 0.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1r2g h GLU 153 CO -0.08 0.74 0.28 0.77 -0.73 0.00 0.00 179.01 179.99 1r2g h SER 154 N 1.14 0.52 -0.52 1.04 0.02 0.09 -1.90 113.55 113.94 1r2g h SER 154 Ca 0.31 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1r2g h SER 154 Cb -0.12 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1r2g h SER 154 CO -0.07 0.40 0.14 0.58 -1.14 0.00 0.00 176.83 176.75 1r2g h VAL 155 N 0.59 1.23 0.00 2.27 2.07 -0.72 0.01 116.25 121.70 1r2g h VAL 155 Ca 0.16 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1r2g h VAL 155 Cb -0.03 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1r2g h VAL 155 CO -0.03 0.31 0.00 0.44 0.02 0.00 0.00 177.57 178.31 1r2g h ASP 156 N 0.84 0.00 -0.56 0.57 3.32 -0.83 -1.55 116.42 118.21 1r2g h ASP 156 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1r2g h ASP 156 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1r2g h ASP 156 CO -0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1r2g n LYS 157 N -2.94 3.62 -3.71 3.56 5.02 -0.75 -4.93 118.16 118.04 1r2g n LYS 157 Ca 0.01 -2.57 -0.23 0.00 -2.02 0.00 0.00 58.31 53.50 1r2g n LYS 157 Cb 0.32 -1.90 0.03 0.00 -0.02 0.00 0.00 35.03 33.46 1r2g n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1r2g n GLU 158 N 0.89 -3.86 -2.62 1.97 -0.58 -0.58 -4.91 120.64 110.95 1r2g n GLU 158 Ca 0.23 0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 57.42 1r2g n GLU 158 Cb 0.86 -4.93 0.03 0.00 -0.57 0.00 0.00 31.44 26.82 1r2g n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1r2g n MET 159 N -4.21 1.73 -0.30 3.49 2.81 -0.09 -4.90 117.12 115.64 1r2g n MET 159 Ca -0.26 -3.55 0.25 0.00 -1.81 0.00 0.00 57.70 52.33 1r2g n MET 159 Cb 0.66 -1.51 0.57 0.00 -0.71 0.00 0.00 33.22 32.24 1r2g n MET 159 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1r2g h GLN 160 N 2.85 0.28 -0.90 0.03 1.08 -1.87 -0.71 115.11 115.88 1r2g h GLN 160 Ca -0.01 -0.02 0.21 0.00 -1.45 0.00 0.00 58.65 57.38 1r2g h GLN 160 Cb 1.15 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.45 1r2g h GLN 160 CO 0.55 0.18 0.60 -0.24 -0.95 0.00 0.00 178.83 178.97 1r2g h VAL 161 N 0.29 0.67 0.00 -0.54 3.04 -1.93 -2.54 116.25 115.23 1r2g h VAL 161 Ca 0.56 -0.12 -0.08 0.00 -1.01 0.00 0.00 66.70 66.05 1r2g h VAL 161 Cb 1.64 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 1r2g h VAL 161 CO -0.21 0.07 -0.37 -0.07 -1.01 0.00 0.00 177.57 175.98 1r2g h LEU 162 N 0.36 0.00 -1.66 3.16 3.38 -1.51 -3.29 115.31 115.75 1r2g h LEU 162 Ca 0.46 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.52 1r2g h LEU 162 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1r2g h LEU 162 CO -0.16 0.37 0.37 -0.37 0.09 0.00 0.00 178.44 178.75 1r2g h VAL 163 N 0.00 0.91 0.00 1.22 -1.51 -1.63 0.30 116.25 115.55 1r2g h VAL 163 Ca -0.00 -0.13 -0.14 0.00 -1.23 0.00 0.00 66.70 65.19 1r2g h VAL 163 Cb 0.77 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 1r2g h VAL 163 CO 0.05 0.07 -0.67 0.77 -1.23 0.00 0.00 177.57 176.56 1r2g h SER 164 N 0.39 0.00 -0.08 4.19 4.64 -1.77 -2.20 113.55 118.73 1r2g h SER 164 Ca 0.25 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 1r2g h SER 164 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1r2g h SER 164 CO -0.07 0.67 -0.24 -0.09 -0.87 0.00 0.00 176.83 176.24 1r2g h ARG 165 N 0.00 0.29 -0.52 4.77 2.43 -0.85 -2.78 114.38 117.73 1r2g h ARG 165 Ca -0.01 -0.21 0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1r2g h ARG 165 Cb 1.23 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1r2g h ARG 165 CO 0.09 0.84 0.35 0.82 -1.51 0.00 0.00 179.97 180.55 1r2g h ILE 166 N -0.20 0.91 -0.29 1.20 2.04 -0.51 0.14 117.51 120.81 1r2g h ILE 166 Ca -0.01 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 1r2g h ILE 166 Cb 0.86 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1r2g h ILE 166 CO 0.05 0.06 -0.30 0.00 0.00 0.00 0.00 178.15 177.96 1r2g h ALA 167 N 1.73 0.95 0.04 1.87 0.00 -1.30 -1.66 119.26 120.88 1r2g h ALA 167 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r2g h ALA 167 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r2g h ALA 167 CO -0.06 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1r2g h ALA 168 N 1.17 -0.05 -0.43 0.00 0.00 -0.50 -2.00 119.26 117.45 1r2g h ALA 168 Ca 0.06 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1r2g h ALA 168 Cb 0.77 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1r2g h ALA 168 CO 0.06 -0.37 -0.01 -1.49 0.00 0.00 0.00 179.25 177.44 1r2g h TRP 169 N -0.37 -0.04 -0.64 0.00 6.55 -1.11 0.76 115.95 121.10 1r2g h TRP 169 Ca -0.01 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.88 1r2g h TRP 169 Cb 0.34 0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 1r2g h TRP 169 CO 0.03 -0.10 0.42 0.52 -1.05 0.00 0.00 178.44 178.27 1r2g h MET 170 N 0.10 0.84 -0.57 0.49 2.86 -1.24 0.57 114.93 117.97 1r2g h MET 170 Ca 0.21 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1r2g h MET 170 Cb 0.31 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1r2g h MET 170 CO -0.36 0.55 0.20 0.00 1.06 0.00 0.00 176.91 178.36 1r2g h ALA 171 N 1.24 0.74 0.11 6.32 0.00 -0.55 0.14 119.26 127.26 1r2g h ALA 171 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r2g h ALA 171 Cb -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1r2g h ALA 171 CO -0.06 0.38 -0.05 1.15 0.00 0.00 0.00 179.25 180.67 1r2g h THR 172 N 0.79 0.92 -0.66 0.00 2.02 -0.46 -1.17 112.91 114.35 1r2g h THR 172 Ca 0.19 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.28 1r2g h THR 172 Cb 0.24 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1r2g h THR 172 CO -0.01 0.03 0.40 0.22 0.37 0.00 0.00 175.52 176.52 1r2g h TYR 173 N -0.20 0.74 0.54 3.16 5.03 -0.68 -0.62 116.97 124.93 1r2g h TYR 173 Ca -0.02 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1r2g h TYR 173 Cb 0.16 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 1r2g h TYR 173 CO -0.05 0.40 -0.48 1.25 -1.32 0.00 0.00 178.16 177.96 1r2g h LEU 174 N 0.76 -1.29 -1.45 2.82 6.46 -0.50 0.96 115.31 123.07 1r2g h LEU 174 Ca 0.27 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.21 1r2g h LEU 174 Cb 0.07 0.42 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1r2g h LEU 174 CO -0.13 -0.66 0.45 0.78 -0.62 0.00 0.00 178.44 178.26 1r2g h ASN 175 N -1.00 0.58 0.18 1.25 2.35 -0.99 0.14 115.58 118.09 1r2g h ASN 175 Ca -0.06 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1r2g h ASN 175 Cb 0.86 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1r2g h ASN 175 CO -0.03 0.36 -0.09 -0.78 -1.65 0.00 0.00 177.43 175.24 1r2g h ASP 176 N 0.65 -0.21 0.00 5.81 1.82 -0.81 -3.39 116.42 120.29 1r2g h ASP 176 Ca 0.30 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.81 1r2g h ASP 176 Cb 0.34 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.38 1r2g h ASP 176 CO -0.10 0.23 -2.10 1.41 -1.61 0.00 0.00 179.24 177.07 1r2g n HIS 177 N -4.80 0.00 -0.09 0.28 8.25 0.31 -4.67 115.22 114.50 1r2g n HIS 177 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.24 1r2g n HIS 177 Cb 0.10 -0.67 -0.12 0.00 1.12 0.00 0.00 29.99 30.41 1r2g n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r2g n LEU 178 N -2.42 2.87 -0.22 2.41 4.77 -0.59 -4.49 117.00 119.32 1r2g n LEU 178 Ca -0.15 -0.04 0.02 0.00 -0.03 0.00 0.00 56.01 55.81 1r2g n LEU 178 Cb 0.78 -0.96 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1r2g n LEU 178 CO 0.43 0.91 0.81 -0.33 -1.33 0.00 0.00 177.39 177.87 1r2g h GLU 179 N -0.00 0.08 -0.74 3.23 4.39 -1.21 -1.15 114.58 119.17 1r2g h GLU 179 Ca -0.54 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.32 1r2g h GLU 179 Cb 1.93 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 30.43 1r2g h GLU 179 CO -0.05 0.05 -0.03 -1.35 -1.16 0.00 0.00 179.01 176.47 1r2g h PRO 180 N 0.08 0.08 -0.15 2.33 0.11 -1.82 0.19 132.00 132.82 1r2g h PRO 180 Ca 0.35 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.23 1r2g h PRO 180 Cb 0.57 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.67 1r2g h PRO 180 CO -0.60 0.05 -0.78 2.35 -0.21 0.00 0.00 178.00 178.81 1r2g h TRP 181 N 0.08 1.03 -0.63 0.65 7.01 -1.54 -2.77 115.95 119.78 1r2g h TRP 181 Ca 0.40 -0.46 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1r2g h TRP 181 Cb 0.69 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 1r2g h TRP 181 CO -0.45 1.28 0.38 0.82 -2.79 0.00 0.00 178.44 177.68 1r2g h ILE 182 N 0.52 1.19 -0.25 2.65 2.04 -0.18 -1.40 117.51 122.07 1r2g h ILE 182 Ca -0.05 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 1r2g h ILE 182 Cb 1.41 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1r2g h ILE 182 CO 0.16 0.19 -0.27 1.56 0.00 0.00 0.00 178.15 179.80 1r2g h GLN 183 N 0.86 0.49 0.00 2.37 1.08 -0.72 0.51 115.11 119.70 1r2g h GLN 183 Ca 0.23 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1r2g h GLN 183 Cb -0.02 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1r2g h GLN 183 CO -0.04 0.72 0.00 1.49 -0.95 0.00 0.00 178.83 180.04 1r2g h GLU 184 N 0.43 0.00 -0.12 1.46 4.57 -1.12 -3.26 114.58 116.54 1r2g h GLU 184 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1r2g h GLU 184 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1r2g h GLU 184 CO 0.05 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 1r2g n ASN 185 N -2.58 3.07 0.00 1.04 4.13 -0.58 -4.96 115.26 115.38 1r2g n ASN 185 Ca 0.03 -3.06 0.00 0.00 1.68 0.00 0.00 54.58 53.23 1r2g n ASN 185 Cb 0.35 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1r2g n ASN 185 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r2g n GLY 186 N -1.01 1.76 0.70 7.41 0.00 -1.14 -4.83 105.19 108.08 1r2g n GLY 186 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1r2g n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r2g n GLY 187 N 0.00 -2.21 0.21 -0.02 0.00 0.18 -3.74 105.19 99.61 1r2g n GLY 187 Ca 0.00 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.68 1r2g n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r2g h TRP 188 N -0.15 0.00 -0.55 1.61 4.06 -1.95 -1.96 115.95 117.00 1r2g h TRP 188 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 1r2g h TRP 188 Cb 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1r2g h TRP 188 CO 0.00 0.00 0.09 -0.44 -3.56 0.00 0.00 178.44 174.53 1r2g h ASP 189 N 0.00 0.88 0.13 -3.49 3.32 -1.97 -0.43 116.42 114.85 1r2g h ASP 189 Ca 0.00 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 1r2g h ASP 189 Cb 0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1r2g h ASP 189 CO 0.00 0.92 -0.25 0.74 -1.72 0.00 0.00 179.24 178.92 1r2g h THR 190 N 0.81 1.24 0.21 0.35 2.02 -1.44 -0.33 112.91 115.77 1r2g h THR 190 Ca 0.17 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1r2g h THR 190 Cb 0.41 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1r2g h THR 190 CO 0.01 0.33 -0.10 0.15 0.37 0.00 0.00 175.52 176.28 1r2g h PHE 191 N 0.20 -0.27 -0.53 3.16 3.57 -1.40 -0.67 116.94 121.01 1r2g h PHE 191 Ca 0.03 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1r2g h PHE 191 Cb 0.56 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1r2g h PHE 191 CO 0.01 -0.05 0.15 0.28 -2.23 0.00 0.00 178.31 176.47 1r2g h VAL 192 N -0.44 0.76 0.00 1.41 2.07 -0.60 0.32 116.25 119.78 1r2g h VAL 192 Ca -0.03 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1r2g h VAL 192 Cb 0.33 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1r2g h VAL 192 CO 0.05 0.06 -0.08 -0.08 0.02 0.00 0.00 177.57 177.53 1r2g h GLU 193 N 0.31 0.00 0.06 1.57 4.81 -0.87 -2.85 114.58 117.60 1r2g h GLU 193 Ca 0.27 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.20 1r2g h GLU 193 Cb 0.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1r2g h GLU 193 CO -0.30 0.08 -1.63 1.25 -0.73 0.00 0.00 179.01 177.67 1r2g h LEU 194 N 0.00 0.19 -6.81 1.64 5.85 0.54 -3.40 115.31 113.31 1r2g h LEU 194 Ca -0.00 -0.33 -0.62 0.00 0.84 0.00 0.00 57.88 57.77 1r2g h LEU 194 Cb 0.15 -0.06 -0.42 0.00 0.37 0.00 0.00 40.66 40.70 1r2g h LEU 194 CO 0.01 1.29 -0.56 -1.22 -0.34 0.00 0.00 178.44 177.62 1r2g n TYR 195 N -3.27 3.42 0.00 1.25 4.02 0.96 -5.09 117.16 118.44 1r2g n TYR 195 Ca -0.18 -4.26 0.00 0.00 -0.01 0.00 0.00 57.90 53.46 1r2g n TYR 195 Cb 1.04 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1r2g n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26