#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihf h GLN 3 N 0.00 0.16 0.00 -1.46 4.15 -1.99 -2.55 115.11 113.42 3ihf h GLN 3 Ca 0.00 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 3ihf h GLN 3 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3ihf h GLN 3 CO 0.00 0.47 -0.97 0.66 -1.93 0.00 0.00 178.83 177.07 3ihf h SER 4 N 0.14 0.00 -0.06 -0.69 4.64 -2.03 -0.70 113.55 114.85 3ihf h SER 4 Ca 0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3ihf h SER 4 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3ihf h SER 4 CO 0.05 0.52 -0.19 0.78 -0.87 0.00 0.00 176.83 177.12 3ihf h ASN 5 N 0.00 0.43 -0.30 4.97 2.35 -1.94 -0.58 115.58 120.52 3ihf h ASN 5 Ca -0.08 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3ihf h ASN 5 Cb 1.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 3ihf h ASN 5 CO 0.05 0.64 0.19 -0.09 -1.65 0.00 0.00 177.43 176.57 3ihf h ARG 6 N 0.40 0.40 -0.33 0.81 2.43 -1.27 -1.95 114.38 114.88 3ihf h ARG 6 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3ihf h ARG 6 Cb 0.56 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3ihf h ARG 6 CO 0.04 0.29 0.15 1.49 -1.51 0.00 0.00 179.97 180.43 3ihf h GLU 7 N 0.40 0.47 -0.99 0.20 4.81 -0.99 -1.73 114.58 116.75 3ihf h GLU 7 Ca 0.11 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3ihf h GLU 7 Cb -0.02 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3ihf h GLU 7 CO -0.02 0.44 0.65 -0.07 -0.73 0.00 0.00 179.01 179.28 3ihf h LEU 8 N 0.39 1.11 -0.51 1.64 3.38 -1.01 -1.36 115.31 118.95 3ihf h LEU 8 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ihf h LEU 8 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3ihf h LEU 8 CO -0.01 0.79 0.18 0.58 0.09 0.00 0.00 178.44 180.06 3ihf h VAL 9 N 1.30 1.22 -0.18 1.22 2.07 -1.01 -2.03 116.25 118.85 3ihf h VAL 9 Ca 0.37 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 3ihf h VAL 9 Cb -0.09 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3ihf h VAL 9 CO -0.10 0.27 -0.38 0.58 0.02 0.00 0.00 177.57 177.97 3ihf h VAL 10 N 0.69 1.34 -0.99 2.57 2.07 -1.11 -0.59 116.25 120.23 3ihf h VAL 10 Ca 0.17 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 66.09 3ihf h VAL 10 Cb 0.25 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 3ihf h VAL 10 CO -0.01 0.50 0.66 -0.78 0.02 0.00 0.00 177.57 177.95 3ihf h ASP 11 N 0.22 1.12 0.25 0.57 3.58 -1.22 0.73 116.42 121.68 3ihf h ASP 11 Ca 0.00 -0.02 -0.33 0.00 0.42 0.00 0.00 57.03 57.10 3ihf h ASP 11 Cb 0.98 -0.27 0.04 0.00 1.72 0.00 0.00 39.33 41.79 3ihf h ASP 11 CO 0.08 0.79 -1.43 0.15 -2.88 0.00 0.00 179.24 175.95 3ihf h PHE 12 N 1.31 0.98 -0.50 0.28 3.04 -0.98 -2.65 116.94 118.43 3ihf h PHE 12 Ca 0.38 -0.70 -0.09 0.00 3.98 0.00 0.00 57.97 61.54 3ihf h PHE 12 Cb -0.09 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 3ihf h PHE 12 CO -0.00 1.54 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.73 3ihf h LEU 13 N 0.17 0.89 -1.04 0.59 3.38 -0.96 -2.32 115.31 116.02 3ihf h LEU 13 Ca -0.24 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3ihf h LEU 13 Cb 2.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 3ihf h LEU 13 CO 0.27 1.00 0.57 0.28 0.09 0.00 0.00 178.44 180.65 3ihf h SER 14 N 0.76 1.08 -0.59 -0.43 0.02 -0.83 -1.12 113.55 112.44 3ihf h SER 14 Ca 0.14 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3ihf h SER 14 Cb 0.56 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3ihf h SER 14 CO 0.03 0.81 0.12 0.22 -1.14 0.00 0.00 176.83 176.86 3ihf h TYR 15 N 1.25 1.05 -0.20 3.45 3.20 -1.39 0.20 116.97 124.53 3ihf h TYR 15 Ca 0.33 -0.13 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 3ihf h TYR 15 Cb -0.09 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 37.89 3ihf h TYR 15 CO 0.00 0.88 -0.60 0.87 -1.64 0.00 0.00 178.16 177.67 3ihf h LYS 16 N 0.95 0.76 0.69 1.82 1.79 -1.22 -1.35 116.57 120.00 3ihf h LYS 16 Ca 0.19 -0.55 -0.03 0.00 -2.18 0.00 0.00 60.65 58.08 3ihf h LYS 16 Cb 0.39 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 3ihf h LYS 16 CO 0.01 1.17 -0.33 -0.07 -1.08 0.00 0.00 179.45 179.15 3ihf h LEU 17 N 0.49 -0.79 0.12 2.94 3.38 -1.06 -2.80 115.31 117.59 3ihf h LEU 17 Ca -0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3ihf h LEU 17 Cb 1.23 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 3ihf h LEU 17 CO 0.13 -0.51 -0.48 -1.28 0.09 0.00 0.00 178.44 176.39 3ihf h SER 18 N -1.01 -1.43 -0.94 -0.43 0.87 -0.49 -1.21 113.55 108.90 3ihf h SER 18 Ca -0.10 0.15 0.36 0.00 -1.23 0.00 0.00 61.79 60.98 3ihf h SER 18 Cb 0.73 0.53 -0.14 0.00 -0.44 0.00 0.00 62.40 63.09 3ihf h SER 18 CO 0.16 -0.53 0.55 1.67 -0.53 0.00 0.00 176.83 178.15 3ihf n GLN 19 N -5.48 -0.04 -0.34 2.24 7.27 -0.51 0.13 117.38 120.64 3ihf n GLN 19 Ca -0.08 1.10 0.09 0.00 0.07 0.00 0.00 57.00 58.18 3ihf n GLN 19 Cb 0.40 -2.04 0.27 0.00 2.41 0.00 0.00 30.24 31.28 3ihf n GLN 19 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3ihf n LYS 20 N -4.67 2.55 -0.71 3.69 4.76 -0.58 -4.92 118.16 118.28 3ihf n LYS 20 Ca 0.32 -2.17 0.00 0.00 -2.87 0.00 0.00 58.31 53.59 3ihf n LYS 20 Cb 1.15 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 3ihf n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ihf n GLY 21 N 1.35 0.61 3.92 0.72 0.00 0.34 -5.06 105.19 107.06 3ihf n GLY 21 Ca 0.20 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3ihf n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ihf s TYR 22 N -2.00 1.47 0.23 1.61 2.02 -0.56 -4.99 117.35 115.13 3ihf s TYR 22 Ca 0.00 -0.88 0.02 0.00 -0.37 0.00 0.00 57.07 55.84 3ihf s TYR 22 Cb 0.00 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3ihf s TYR 22 CO 0.00 -0.56 0.05 -1.54 -1.57 0.00 0.00 175.55 171.93 3ihf s SER 23 N -4.32 1.38 0.05 2.29 1.04 -1.26 -2.97 113.70 109.91 3ihf s SER 23 Ca 0.33 -1.28 -0.28 0.00 0.48 0.00 0.00 55.95 55.19 3ihf s SER 23 Cb -0.03 0.11 -0.17 0.00 0.10 0.00 0.00 66.02 66.03 3ihf s SER 23 CO 0.21 -0.63 1.51 -0.25 0.98 0.00 0.00 173.24 175.06 3ihf h TRP 24 N 2.48 -0.50 -2.34 5.02 2.91 -1.89 -3.47 115.95 118.16 3ihf h TRP 24 Ca -0.38 -0.01 -0.60 0.00 1.13 0.00 0.00 58.89 59.03 3ihf h TRP 24 Cb 1.23 0.17 -0.13 0.00 -0.51 0.00 0.00 29.16 29.91 3ihf h TRP 24 CO 0.51 -0.24 -0.74 -1.54 -1.03 0.00 0.00 178.44 175.40 3ihf s SER 25 N -4.80 3.84 0.01 2.65 1.04 -1.26 -4.92 113.70 110.26 3ihf s SER 25 Ca -0.15 -0.90 0.08 0.00 0.48 0.00 0.00 55.95 55.45 3ihf s SER 25 Cb 0.03 -0.45 0.33 0.00 0.10 0.00 0.00 66.02 66.04 3ihf s SER 25 CO 0.60 0.04 1.24 0.00 0.98 0.00 0.00 173.24 176.11 3ihf n GLN 26 N -0.57 0.01 0.00 4.02 10.64 -1.26 -3.09 117.38 127.13 3ihf n GLN 26 Ca -0.06 0.39 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 3ihf n GLN 26 Cb 0.59 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 3ihf n GLN 26 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3ihf n PHE 27 N -1.53 0.00 -1.74 2.61 3.72 -1.26 -4.95 117.46 114.32 3ihf n PHE 27 Ca 0.02 -0.30 -0.33 0.00 -0.05 0.00 0.00 57.45 56.79 3ihf n PHE 27 Cb 0.08 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 3ihf n PHE 27 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ihf n SER 28 N -0.30 7.00 -3.98 4.37 3.41 -1.18 -5.19 113.62 117.76 3ihf n SER 28 Ca 0.00 -3.44 -0.31 0.00 -0.26 0.00 0.00 58.87 54.86 3ihf n SER 28 Cb 0.34 -1.18 -0.15 0.00 -0.26 0.00 0.00 64.21 62.96 3ihf n SER 28 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ihf s ASP 29 N -0.23 4.53 0.27 4.04 1.11 -1.26 -4.81 116.67 120.33 3ihf s ASP 29 Ca 0.55 -2.54 0.11 0.00 0.18 0.00 0.00 52.55 50.86 3ihf s ASP 29 Cb 0.38 -1.61 -0.05 0.00 1.07 0.00 0.00 42.92 42.71 3ihf s ASP 29 CO -0.28 -0.31 -0.14 -0.94 1.18 0.00 0.00 175.17 174.69 3ihf s SER 73 N 0.38 3.91 0.44 0.27 1.04 -1.26 -5.27 113.70 113.21 3ihf s SER 73 Ca 0.14 -0.88 -0.25 0.00 0.48 0.00 0.00 55.95 55.44 3ihf s SER 73 Cb -0.22 -0.49 -0.09 0.00 0.10 0.00 0.00 66.02 65.32 3ihf s SER 73 CO -0.05 0.03 1.24 -1.20 0.98 0.00 0.00 173.24 174.24 3ihf n SER 74 N -0.64 2.34 -4.75 7.02 7.64 -1.26 -5.01 113.62 118.96 3ihf n SER 74 Ca -0.06 1.07 -0.36 0.00 1.01 0.00 0.00 58.87 60.53 3ihf n SER 74 Cb 0.59 -1.49 0.04 0.00 -1.01 0.00 0.00 64.21 62.35 3ihf n SER 74 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ihf s LEU 75 N -1.75 3.63 0.44 -3.43 2.96 -1.26 -4.92 118.68 114.36 3ihf s LEU 75 Ca 0.63 2.45 0.20 0.00 -0.22 0.00 0.00 54.13 57.18 3ihf s LEU 75 Cb -0.50 -4.60 1.15 0.00 0.50 0.00 0.00 46.19 42.74 3ihf s LEU 75 CO 0.56 -1.72 1.88 0.44 -1.32 0.00 0.00 176.35 176.20 3ihf h ASP 76 N 0.77 0.32 -3.69 3.68 3.45 -2.11 -3.39 116.42 115.46 3ihf h ASP 76 Ca -0.51 0.03 -0.66 0.00 0.43 0.00 0.00 57.03 56.32 3ihf h ASP 76 Cb 1.31 -0.03 -0.22 0.00 -0.56 0.00 0.00 39.33 39.83 3ihf h ASP 76 CO 0.54 0.14 -0.57 0.00 -1.57 0.00 0.00 179.24 177.78 3ihf s ALA 77 N -5.34 3.28 0.00 3.45 0.00 -1.26 -4.99 121.76 116.90 3ihf s ALA 77 Ca -0.07 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3ihf s ALA 77 Cb 0.22 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 21.04 3ihf s ALA 77 CO 0.78 -0.72 0.00 -2.13 0.00 0.00 0.00 175.76 173.69 3ihf n ARG 78 N 4.97 -2.98 0.00 0.00 3.00 -1.26 -5.16 116.66 115.23 3ihf n ARG 78 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 3ihf n ARG 78 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 3ihf n ARG 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3ihf n GLU 79 N -0.40 0.00 0.00 -0.14 4.07 -1.26 -5.16 120.64 117.75 3ihf n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3ihf n GLU 79 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3ihf n GLU 79 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3ihf n VAL 80 N 0.00 0.00 0.00 6.31 0.24 -1.26 -5.19 118.33 118.43 3ihf n VAL 80 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3ihf n VAL 80 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3ihf n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ihf n ILE 81 N 0.00 0.00 -3.61 1.34 0.13 -1.26 -4.90 119.36 111.06 3ihf n ILE 81 Ca 0.00 0.19 -0.34 0.00 -1.10 0.00 0.00 62.75 61.50 3ihf n ILE 81 Cb 0.00 -0.93 -0.05 0.00 -0.84 0.00 0.00 39.64 37.81 3ihf n ILE 81 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 3ihf s PRO 82 N -0.38 3.72 0.24 9.51 0.02 -1.26 -4.34 135.00 142.51 3ihf s PRO 82 Ca 0.00 0.11 -0.06 0.00 0.02 0.00 0.00 61.00 61.07 3ihf s PRO 82 Cb 0.00 -2.98 0.25 0.00 0.02 0.00 0.00 34.50 31.80 3ihf s PRO 82 CO 0.00 0.55 1.87 1.98 -0.33 0.00 0.00 177.00 181.07 3ihf h MET 83 N 3.58 1.22 -0.42 5.54 4.05 -2.00 -2.57 114.93 124.33 3ihf h MET 83 Ca -0.49 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 58.78 3ihf h MET 83 Cb 1.19 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 3ihf h MET 83 CO 0.67 0.89 0.22 0.00 0.23 0.00 0.00 176.91 178.92 3ihf h ALA 84 N 1.30 1.59 -0.02 0.39 0.00 -1.99 0.11 119.26 120.65 3ihf h ALA 84 Ca 0.31 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 3ihf h ALA 84 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ihf h ALA 84 CO -0.05 0.34 -0.80 0.00 0.00 0.00 0.00 179.25 178.74 3ihf h ALA 85 N 1.66 0.63 -0.09 0.00 0.00 -1.85 -2.79 119.26 116.81 3ihf h ALA 85 Ca 0.15 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3ihf h ALA 85 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ihf h ALA 85 CO -0.02 0.87 -0.25 0.28 0.00 0.00 0.00 179.25 180.13 3ihf h VAL 86 N 0.11 1.41 -0.50 0.00 2.07 -0.99 -2.30 116.25 116.05 3ihf h VAL 86 Ca -0.03 -1.60 0.07 0.00 0.82 0.00 0.00 66.70 65.97 3ihf h VAL 86 Cb 1.39 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 3ihf h VAL 86 CO 0.12 0.46 0.15 0.11 0.02 0.00 0.00 177.57 178.43 3ihf h LYS 87 N -0.14 0.30 -0.11 1.57 1.57 -0.96 0.12 116.57 118.93 3ihf h LYS 87 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3ihf h LYS 87 Cb 0.87 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3ihf h LYS 87 CO 0.05 0.20 0.01 0.37 -0.57 0.00 0.00 179.45 179.51 3ihf h GLN 88 N 0.31 0.18 -1.00 3.15 5.75 -1.49 -1.50 115.11 120.52 3ihf h GLN 88 Ca 0.25 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.74 3ihf h GLN 88 Cb 0.29 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 3ihf h GLN 88 CO -0.27 0.42 0.65 0.00 -2.65 0.00 0.00 178.83 176.97 3ihf h ALA 89 N 0.76 1.37 -0.47 3.38 0.00 -1.25 -1.52 119.26 121.53 3ihf h ALA 89 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3ihf h ALA 89 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ihf h ALA 89 CO 0.00 0.51 -0.21 1.25 0.00 0.00 0.00 179.25 180.81 3ihf h LEU 90 N 1.23 0.98 -0.38 0.00 5.85 -0.72 0.88 115.31 123.14 3ihf h LEU 90 Ca 0.41 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3ihf h LEU 90 Cb 0.06 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3ihf h LEU 90 CO -0.14 1.15 0.08 0.03 -0.34 0.00 0.00 178.44 179.22 3ihf h ARG 91 N 0.83 0.21 0.00 1.25 3.08 -0.63 0.88 114.38 120.00 3ihf h ARG 91 Ca 0.11 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ihf h ARG 91 Cb 0.77 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3ihf h ARG 91 CO 0.06 0.14 -0.00 0.93 -1.07 0.00 0.00 179.97 180.03 3ihf h GLU 92 N 0.21 -0.00 -0.98 0.04 5.08 -1.20 -1.67 114.58 116.06 3ihf h GLU 92 Ca 0.18 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3ihf h GLU 92 Cb 0.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3ihf h GLU 92 CO -0.23 0.37 0.63 0.00 -1.00 0.00 0.00 179.01 178.78 3ihf h ALA 93 N 0.62 1.33 -0.69 3.43 0.00 -0.67 -0.42 119.26 122.86 3ihf h ALA 93 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ihf h ALA 93 Cb 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ihf h ALA 93 CO 0.00 0.47 0.13 0.78 0.00 0.00 0.00 179.25 180.62 3ihf h GLY 94 N 1.19 1.22 0.87 0.00 0.00 -0.69 -0.91 103.07 104.74 3ihf h GLY 94 Ca 0.41 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 3ihf h GLY 94 CO -0.15 0.74 0.00 -0.55 0.00 0.00 0.00 176.54 176.58 3ihf h ASP 95 N 1.06 0.49 -0.69 0.19 3.32 -0.71 -1.64 116.42 118.44 3ihf h ASP 95 Ca 0.21 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3ihf h ASP 95 Cb 0.43 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3ihf h ASP 95 CO 0.01 0.68 0.38 -0.33 -1.72 0.00 0.00 179.24 178.26 3ihf h GLU 96 N 0.29 0.97 -0.07 3.56 4.39 -1.00 -1.17 114.58 121.54 3ihf h GLU 96 Ca 0.08 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3ihf h GLU 96 Cb 0.43 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3ihf h GLU 96 CO 0.01 0.72 -0.16 0.35 -1.16 0.00 0.00 179.01 178.78 3ihf h PHE 97 N 0.95 -0.41 -0.47 4.33 3.04 -1.15 -1.57 116.94 121.67 3ihf h PHE 97 Ca 0.24 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.16 3ihf h PHE 97 Cb 0.04 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 3ihf h PHE 97 CO -0.00 -0.23 0.07 1.49 -2.02 0.00 0.00 178.31 177.61 3ihf h GLU 98 N -0.23 0.73 -0.06 1.11 4.81 -1.15 -1.35 114.58 118.44 3ihf h GLU 98 Ca 0.07 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3ihf h GLU 98 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3ihf h GLU 98 CO -0.20 0.69 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.43 3ihf h LEU 99 N 0.70 0.10 0.20 1.64 3.38 -1.17 -3.34 115.31 116.82 3ihf h LEU 99 Ca 0.15 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 3ihf h LEU 99 Cb 0.33 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.07 3ihf h LEU 99 CO 0.01 0.38 -1.65 -0.09 0.09 0.00 0.00 178.44 177.17 3ihf h ARG 100 N 0.09 0.42 -3.60 1.13 9.65 -0.91 -3.42 114.38 117.75 3ihf h ARG 100 Ca 0.01 -0.72 -0.72 0.00 -1.10 0.00 0.00 59.98 57.46 3ihf h ARG 100 Cb 0.54 0.27 -0.33 0.00 -1.39 0.00 0.00 29.97 29.06 3ihf h ARG 100 CO 0.04 1.33 -0.24 0.71 2.80 0.00 0.00 179.97 184.62 3ihf s TYR 101 N -2.59 3.52 0.10 2.20 2.02 -0.54 -4.92 117.35 117.14 3ihf s TYR 101 Ca -0.13 -2.59 -0.20 0.00 -0.37 0.00 0.00 57.07 53.78 3ihf s TYR 101 Cb 0.05 -3.34 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 3ihf s TYR 101 CO 0.88 -0.86 1.23 0.54 -1.57 0.00 0.00 175.55 175.77 3ihf n ARG 102 N 3.47 -0.28 0.12 -0.62 1.74 -1.26 -3.98 116.66 115.85 3ihf n ARG 102 Ca 0.11 1.21 0.12 0.00 -0.77 0.00 0.00 57.85 58.51 3ihf n ARG 102 Cb 0.40 -1.79 0.09 0.00 -1.02 0.00 0.00 32.46 30.14 3ihf n ARG 102 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3ihf h ARG 103 N 0.00 0.00 -6.01 5.56 2.43 -1.94 -3.49 114.38 110.93 3ihf h ARG 103 Ca 0.10 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.57 3ihf h ARG 103 Cb 0.26 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 29.91 3ihf h ARG 103 CO -0.60 0.00 -0.38 0.00 -1.51 0.00 0.00 179.97 177.48 3ihf n ALA 104 N -2.07 -3.02 0.00 2.80 0.00 -1.26 -2.54 120.51 114.42 3ihf n ALA 104 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3ihf n ALA 104 Cb 0.52 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3ihf n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ihf n PHE 105 N 0.37 0.00 -0.34 0.00 3.72 -1.26 -4.84 117.46 115.10 3ihf n PHE 105 Ca 0.18 0.00 0.32 0.00 -0.05 0.00 0.00 57.45 57.90 3ihf n PHE 105 Cb 0.21 0.00 0.57 0.00 -0.94 0.00 0.00 39.48 39.32 3ihf n PHE 105 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3ihf n SER 106 N 0.09 0.27 -0.07 4.37 7.64 -1.05 0.19 113.62 125.06 3ihf n SER 106 Ca 0.00 1.42 -0.14 0.00 1.01 0.00 0.00 58.87 61.16 3ihf n SER 106 Cb 0.00 -0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 62.38 3ihf n SER 106 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ihf h ASP 107 N 0.00 0.00 -0.57 6.43 5.19 -1.88 -2.30 116.42 123.29 3ihf h ASP 107 Ca 0.79 -0.95 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 3ihf h ASP 107 Cb 2.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.73 3ihf h ASP 107 CO -0.60 1.01 0.33 -0.07 -3.12 0.00 0.00 179.24 176.79 3ihf h LEU 108 N -1.00 0.70 -0.01 1.55 -0.00 -0.91 -0.27 115.31 115.37 3ihf h LEU 108 Ca -0.02 -0.08 -0.24 0.00 -0.00 0.00 0.00 57.88 57.54 3ihf h LEU 108 Cb 0.99 -0.18 0.02 0.00 -0.00 0.00 0.00 40.66 41.49 3ihf h LEU 108 CO -0.01 0.58 -0.93 0.71 -0.00 0.00 0.00 178.44 178.78 3ihf h THR 109 N 0.77 1.31 -0.61 0.22 1.35 0.20 0.23 112.91 116.38 3ihf h THR 109 Ca 0.20 -2.19 0.04 0.00 -0.55 0.00 0.00 66.41 63.91 3ihf h THR 109 Cb 0.02 2.41 -0.04 0.00 -1.73 0.00 0.00 68.15 68.81 3ihf h THR 109 CO -0.04 0.67 0.40 0.28 -0.25 0.00 0.00 175.52 176.59 3ihf h SER 110 N 0.29 0.58 0.53 5.36 0.02 -1.47 0.36 113.55 119.23 3ihf h SER 110 Ca -0.11 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 3ihf h SER 110 Cb 1.60 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 3ihf h SER 110 CO 0.18 0.39 -0.57 -0.61 -1.14 0.00 0.00 176.83 175.09 3ihf h GLN 111 N 0.67 0.04 0.04 3.45 4.15 -0.20 -3.21 115.11 120.06 3ihf h GLN 111 Ca 0.25 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.53 3ihf h GLN 111 Cb 0.16 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.86 3ihf h GLN 111 CO -0.07 0.60 -0.50 1.25 -1.93 0.00 0.00 178.83 178.18 3ihf h LEU 112 N 0.03 0.37 -3.84 -2.39 6.46 0.39 -3.49 115.31 112.84 3ihf h LEU 112 Ca -0.00 -0.84 -0.53 0.00 -0.12 0.00 0.00 57.88 56.38 3ihf h LEU 112 Cb 1.02 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 3ihf h LEU 112 CO 0.08 1.17 -0.99 1.57 -0.62 0.00 0.00 178.44 179.65 3ihf n HIS 113 N -4.32 -1.52 -2.07 1.25 -0.00 0.12 -4.80 115.22 103.88 3ihf n HIS 113 Ca -0.11 0.33 -0.41 0.00 -0.00 0.00 0.00 57.72 57.52 3ihf n HIS 113 Cb 0.65 -2.58 -0.03 0.00 -0.00 0.00 0.00 29.99 28.03 3ihf n HIS 113 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3ihf s ILE 114 N -3.35 2.82 0.33 3.57 2.07 -1.26 -4.98 121.20 120.40 3ihf s ILE 114 Ca 0.29 0.68 0.03 0.00 -1.41 0.00 0.00 60.65 60.24 3ihf s ILE 114 Cb -0.16 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 38.95 3ihf s ILE 114 CO 0.89 0.11 0.13 0.42 -1.91 0.00 0.00 174.94 174.57 3ihf s THR 115 N 0.06 0.57 -0.58 4.00 -4.23 -1.26 -4.99 115.64 109.20 3ihf s THR 115 Ca 0.59 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 3ihf s THR 115 Cb -0.40 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 70.95 3ihf s THR 115 CO 0.41 0.00 1.05 -2.65 -0.54 0.00 0.00 174.62 172.90 3ihf n PRO 116 N -0.67 0.03 0.13 3.99 -0.02 -1.26 -2.01 135.00 135.19 3ihf n PRO 116 Ca -0.01 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3ihf n PRO 116 Cb 0.65 -1.73 0.21 0.00 -0.02 0.00 0.00 33.50 32.61 3ihf n PRO 116 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ihf h GLY 117 N 0.00 0.00 -4.34 -1.23 0.00 -1.97 -3.49 103.07 92.04 3ihf h GLY 117 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3ihf h GLY 117 CO 0.00 0.00 0.55 -1.59 0.00 0.00 0.00 176.54 175.50 3ihf s THR 118 N -3.20 3.88 0.33 4.70 2.01 -0.85 -5.04 115.64 117.47 3ihf s THR 118 Ca 0.06 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.52 3ihf s THR 118 Cb 0.10 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3ihf s THR 118 CO 0.68 0.16 0.51 0.00 -0.69 0.00 0.00 174.62 175.29 3ihf s ALA 119 N 0.58 3.74 0.23 7.40 0.00 -1.26 -4.96 121.76 127.49 3ihf s ALA 119 Ca 0.56 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 3ihf s ALA 119 Cb -0.30 -2.04 0.38 0.00 0.00 0.00 0.00 23.12 21.16 3ihf s ALA 119 CO 0.32 0.03 1.67 -0.92 0.00 0.00 0.00 175.76 176.85 3ihf h TYR 120 N 0.83 0.09 -0.80 0.00 3.20 -1.98 -3.00 116.97 115.31 3ihf h TYR 120 Ca -0.50 0.05 0.19 0.00 3.14 0.00 0.00 58.73 61.61 3ihf h TYR 120 Cb 1.22 0.07 -0.14 0.00 1.54 0.00 0.00 36.73 39.42 3ihf h TYR 120 CO 0.50 -0.14 0.08 1.96 -1.64 0.00 0.00 178.16 178.91 3ihf h GLN 121 N 0.18 0.13 -0.58 1.82 4.20 -1.98 0.13 115.11 119.01 3ihf h GLN 121 Ca 0.37 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 3ihf h GLN 121 Cb 0.63 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3ihf h GLN 121 CO -0.54 0.09 0.27 0.77 -0.67 0.00 0.00 178.83 178.75 3ihf h SER 122 N 0.14 0.77 -0.59 1.46 0.02 -1.94 -0.65 113.55 112.76 3ihf h SER 122 Ca 0.46 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3ihf h SER 122 Cb 0.86 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3ihf h SER 122 CO -0.67 0.69 0.08 0.15 -1.14 0.00 0.00 176.83 175.94 3ihf h PHE 123 N 0.79 1.05 -0.73 3.45 3.57 -1.17 -2.06 116.94 121.85 3ihf h PHE 123 Ca 0.20 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3ihf h PHE 123 Cb 0.14 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3ihf h PHE 123 CO 0.00 0.92 0.36 1.49 -2.23 0.00 0.00 178.31 178.85 3ihf h GLU 124 N 0.88 1.03 0.04 1.11 4.81 -0.65 -0.63 114.58 121.17 3ihf h GLU 124 Ca 0.18 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ihf h GLU 124 Cb 0.45 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3ihf h GLU 124 CO 0.01 0.78 -0.02 0.37 -0.73 0.00 0.00 179.01 179.42 3ihf h GLN 125 N 1.03 -0.06 -0.55 1.92 4.15 -0.85 -0.82 115.11 119.93 3ihf h GLN 125 Ca 0.25 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.75 3ihf h GLN 125 Cb 0.08 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 3ihf h GLN 125 CO -0.04 0.25 0.21 0.28 -1.93 0.00 0.00 178.83 177.61 3ihf h VAL 126 N -0.37 0.82 -0.35 2.39 2.07 -1.24 -2.98 116.25 116.59 3ihf h VAL 126 Ca -0.01 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3ihf h VAL 126 Cb 0.33 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3ihf h VAL 126 CO 0.01 0.07 -0.19 0.58 0.02 0.00 0.00 177.57 178.06 3ihf h VAL 127 N 0.40 1.26 -0.95 2.57 2.07 -1.02 -2.47 116.25 118.12 3ihf h VAL 127 Ca 0.27 -1.24 0.23 0.00 0.82 0.00 0.00 66.70 66.78 3ihf h VAL 127 Cb 0.30 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3ihf h VAL 127 CO -0.26 0.41 0.63 0.78 0.02 0.00 0.00 177.57 179.15 3ihf h ASN 128 N 0.59 0.36 -0.55 0.57 -0.26 -0.99 -0.77 115.58 114.53 3ihf h ASN 128 Ca 0.09 0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 3ihf h ASN 128 Cb 0.65 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 3ihf h ASN 128 CO 0.05 0.12 0.05 -0.33 -1.06 0.00 0.00 177.43 176.25 3ihf h GLU 129 N 0.34 0.94 -0.91 0.81 4.39 -1.40 -1.99 114.58 116.77 3ihf h GLU 129 Ca 0.50 -0.28 0.18 0.00 0.34 0.00 0.00 59.36 60.11 3ihf h GLU 129 Cb 1.36 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 3ihf h GLU 129 CO -0.18 0.93 0.59 -0.07 -1.16 0.00 0.00 179.01 179.12 3ihf h LEU 130 N 0.83 0.54 -3.10 1.33 4.07 -1.16 -0.33 115.31 117.49 3ihf h LEU 130 Ca 0.16 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3ihf h LEU 130 Cb 0.47 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3ihf h LEU 130 CO 0.02 0.23 0.00 0.49 -1.08 0.00 0.00 178.44 178.10 3ihf n PHE 131 N -4.56 1.69 -0.00 1.13 3.72 -0.88 -4.57 117.46 113.98 3ihf n PHE 131 Ca 0.19 -0.60 0.11 0.00 -0.05 0.00 0.00 57.45 57.10 3ihf n PHE 131 Cb 0.61 -0.41 0.53 0.00 -0.94 0.00 0.00 39.48 39.26 3ihf n PHE 131 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3ihf h ARG 132 N 3.41 0.32 -0.62 -1.08 0.11 -0.34 0.77 114.38 116.94 3ihf h ARG 132 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3ihf h ARG 132 Cb 1.68 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.69 3ihf h ARG 132 CO 0.38 0.21 0.00 -3.47 0.10 0.00 0.00 179.97 177.19 3ihf n ASP 133 N -4.47 3.83 0.00 0.08 -0.08 -1.26 -5.04 116.55 109.60 3ihf n ASP 133 Ca 0.06 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 51.01 3ihf n ASP 133 Cb 0.29 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.25 3ihf n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ihf n GLY 134 N 0.99 0.78 3.87 0.27 0.00 0.26 -5.03 105.19 106.33 3ihf n GLY 134 Ca 0.20 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 3ihf n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihf s VAL 135 N -1.37 5.24 0.24 1.61 1.01 -1.26 -4.75 120.40 121.11 3ihf s VAL 135 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 3ihf s VAL 135 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3ihf s VAL 135 CO 0.00 0.42 0.39 -0.46 0.00 0.00 0.00 175.10 175.46 3ihf n ASN 136 N 1.32 -1.12 0.09 3.32 6.94 -1.26 -5.02 115.26 119.52 3ihf n ASN 136 Ca -0.12 -2.15 -0.05 0.00 -0.02 0.00 0.00 54.58 52.24 3ihf n ASN 136 Cb 0.53 1.98 0.12 0.00 -2.36 0.00 0.00 39.78 40.05 3ihf n ASN 136 CO 0.00 0.00 0.00 -0.50 -1.03 0.00 0.00 177.26 175.73 3ihf h TRP 137 N 1.65 0.27 -0.85 -2.53 4.06 -1.99 -2.18 115.95 114.38 3ihf h TRP 137 Ca -0.19 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.63 3ihf h TRP 137 Cb 0.78 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.86 3ihf h TRP 137 CO 0.00 0.76 0.46 0.78 -3.56 0.00 0.00 178.44 176.88 3ihf h GLY 138 N 1.53 1.28 1.67 1.49 0.00 -1.99 -2.55 103.07 104.50 3ihf h GLY 138 Ca -0.01 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.52 3ihf h GLY 138 CO 0.09 0.57 -0.89 0.00 0.00 0.00 0.00 176.54 176.31 3ihf h ALA 139 N 1.25 0.47 -0.70 3.60 0.00 -1.90 -2.04 119.26 119.93 3ihf h ALA 139 Ca 0.30 -0.71 0.08 0.00 0.00 0.00 0.00 54.91 54.58 3ihf h ALA 139 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ihf h ALA 139 CO -0.05 0.86 0.46 0.82 0.00 0.00 0.00 179.25 181.35 3ihf h ILE 140 N 0.17 0.98 0.07 0.00 2.04 -1.34 0.39 117.51 119.82 3ihf h ILE 140 Ca -0.06 -0.23 -0.28 0.00 1.00 0.00 0.00 64.86 65.30 3ihf h ILE 140 Cb 1.51 0.25 0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3ihf h ILE 140 CO 0.14 0.12 -1.13 0.58 0.00 0.00 0.00 178.15 177.87 3ihf h VAL 141 N 0.67 1.29 -0.57 1.67 2.07 -1.32 -2.17 116.25 117.88 3ihf h VAL 141 Ca 0.31 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.52 3ihf h VAL 141 Cb 0.36 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 3ihf h VAL 141 CO -0.10 0.72 0.30 0.00 0.02 0.00 0.00 177.57 178.50 3ihf h ALA 142 N 0.32 0.75 0.01 1.67 0.00 -1.20 -0.52 119.26 120.29 3ihf h ALA 142 Ca -0.16 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ihf h ALA 142 Cb 1.80 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 3ihf h ALA 142 CO 0.22 -0.05 -0.26 0.35 0.00 0.00 0.00 179.25 179.51 3ihf h PHE 143 N 0.56 -0.71 -0.59 0.00 3.57 -0.75 -0.59 116.94 118.43 3ihf h PHE 143 Ca 0.26 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.83 3ihf h PHE 143 Cb 0.17 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 3ihf h PHE 143 CO -0.10 -0.36 0.31 0.74 -2.23 0.00 0.00 178.31 176.67 3ihf h PHE 144 N -0.41 0.57 -0.76 0.41 0.04 -1.22 -2.50 116.94 113.07 3ihf h PHE 144 Ca 0.06 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.87 3ihf h PHE 144 Cb 0.49 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 3ihf h PHE 144 CO -0.29 0.27 0.50 0.77 -0.60 0.00 0.00 178.31 178.96 3ihf h SER 145 N 0.58 0.85 0.01 2.17 0.02 -0.94 -0.33 113.55 115.91 3ihf h SER 145 Ca 0.26 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3ihf h SER 145 Cb 0.17 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3ihf h SER 145 CO -0.17 0.61 -0.00 0.15 -1.14 0.00 0.00 176.83 176.27 3ihf h PHE 146 N 1.00 -0.01 -0.12 3.45 3.57 -0.90 -1.08 116.94 122.85 3ihf h PHE 146 Ca 0.28 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.82 3ihf h PHE 146 Cb -0.08 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 3ihf h PHE 146 CO -0.00 0.17 -0.15 0.78 -2.23 0.00 0.00 178.31 176.88 3ihf h GLY 147 N -0.19 -0.09 0.04 2.40 0.00 -1.16 -1.49 103.07 102.58 3ihf h GLY 147 Ca -0.00 0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.64 3ihf h GLY 147 CO 0.00 -0.15 0.11 -1.33 0.00 0.00 0.00 176.54 175.17 3ihf h GLY 148 N -0.19 0.82 1.90 4.60 0.00 -0.96 -1.25 103.07 108.00 3ihf h GLY 148 Ca 0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 3ihf h GLY 148 CO -0.23 -0.16 -0.62 0.00 0.00 0.00 0.00 176.54 175.53 3ihf h ALA 149 N 1.54 0.92 -0.42 3.60 0.00 -0.88 -0.61 119.26 123.42 3ihf h ALA 149 Ca 0.35 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3ihf h ALA 149 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ihf h ALA 149 CO -0.47 0.76 -0.00 -0.07 0.00 0.00 0.00 179.25 179.46 3ihf h LEU 150 N 0.07 0.73 0.17 0.00 4.07 -0.77 -1.97 115.31 117.61 3ihf h LEU 150 Ca -0.01 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.65 3ihf h LEU 150 Cb 1.11 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 3ihf h LEU 150 CO 0.09 0.86 -0.42 0.00 -1.08 0.00 0.00 178.44 177.89 3ihf h VAL 152 N -0.66 0.18 -0.98 0.00 2.07 -1.12 -1.82 116.25 113.92 3ihf h VAL 152 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3ihf h VAL 152 Cb 0.63 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3ihf h VAL 152 CO -0.19 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 177.95 3ihf h GLU 153 N -0.41 1.04 -0.41 1.57 4.81 -1.38 -1.70 114.58 118.11 3ihf h GLU 153 Ca 0.11 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3ihf h GLU 153 Cb 0.59 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3ihf h GLU 153 CO -0.44 0.69 0.12 0.77 -0.73 0.00 0.00 179.01 179.41 3ihf h SER 154 N 1.07 0.60 0.69 1.04 0.02 -0.68 -2.02 113.55 114.26 3ihf h SER 154 Ca 0.45 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3ihf h SER 154 Cb 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3ihf h SER 154 CO -0.20 0.66 -0.48 0.58 -1.14 0.00 0.00 176.83 176.25 3ihf h VAL 155 N 0.52 0.05 -0.66 2.27 2.07 -0.63 0.29 116.25 120.15 3ihf h VAL 155 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 3ihf h VAL 155 Cb 0.28 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 3ihf h VAL 155 CO -0.00 0.00 -0.24 -0.67 0.02 0.00 0.00 177.57 176.68 3ihf n ASP 156 N -5.59 -0.39 -0.76 0.57 4.64 -0.71 0.41 116.55 114.72 3ihf n ASP 156 Ca -0.14 1.15 0.03 0.00 -1.38 0.00 0.00 54.79 54.46 3ihf n ASP 156 Cb 0.48 -0.28 0.13 0.00 -1.04 0.00 0.00 41.12 40.41 3ihf n ASP 156 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3ihf n LYS 157 N -5.00 2.04 -2.98 -0.67 5.02 -0.76 -4.89 118.16 110.91 3ihf n LYS 157 Ca 0.08 -1.06 -0.17 0.00 -2.02 0.00 0.00 58.31 55.14 3ihf n LYS 157 Cb 0.28 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 3ihf n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ihf n GLU 158 N 0.26 -4.36 -2.65 1.97 -0.58 0.17 -4.93 120.64 110.51 3ihf n GLU 158 Ca 0.10 0.64 -0.23 0.00 -0.42 0.00 0.00 57.16 57.24 3ihf n GLU 158 Cb 0.42 -4.98 -0.01 0.00 -0.57 0.00 0.00 31.44 26.31 3ihf n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3ihf n MET 159 N -3.35 2.85 0.33 3.49 2.81 0.95 -4.86 117.12 119.34 3ihf n MET 159 Ca -0.05 -4.30 0.20 0.00 -1.81 0.00 0.00 57.70 51.74 3ihf n MET 159 Cb 0.57 -2.04 1.10 0.00 -0.71 0.00 0.00 33.22 32.14 3ihf n MET 159 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3ihf h GLN 160 N 2.76 0.00 -0.74 0.03 4.15 -1.86 -0.13 115.11 119.31 3ihf h GLN 160 Ca 0.18 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.73 3ihf h GLN 160 Cb 0.88 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 3ihf h GLN 160 CO 0.76 0.00 0.49 -0.24 -1.93 0.00 0.00 178.83 177.91 3ihf h VAL 161 N 0.00 0.87 0.00 2.39 3.04 -1.94 -2.40 116.25 118.20 3ihf h VAL 161 Ca 0.01 -0.18 -0.04 0.00 -1.01 0.00 0.00 66.70 65.47 3ihf h VAL 161 Cb 0.16 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 3ihf h VAL 161 CO -0.00 0.10 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.38 3ihf h LEU 162 N 0.53 0.00 -0.25 3.16 3.38 -1.40 -3.29 115.31 117.43 3ihf h LEU 162 Ca 0.35 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.37 3ihf h LEU 162 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3ihf h LEU 162 CO -0.12 0.21 -0.03 0.58 0.09 0.00 0.00 178.44 179.17 3ihf h VAL 163 N 0.00 0.79 0.00 1.22 2.07 -1.59 0.48 116.25 119.22 3ihf h VAL 163 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3ihf h VAL 163 Cb 0.39 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ihf h VAL 163 CO 0.03 0.01 -0.40 0.77 0.02 0.00 0.00 177.57 177.99 3ihf h SER 164 N 0.04 0.00 -0.00 0.57 4.64 -1.75 -1.41 113.55 115.63 3ihf h SER 164 Ca 0.12 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3ihf h SER 164 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3ihf h SER 164 CO -0.23 0.03 -0.00 0.03 -0.87 0.00 0.00 176.83 175.79 3ihf h ARG 165 N 0.00 0.01 -0.67 4.77 3.08 -1.46 -2.28 114.38 117.83 3ihf h ARG 165 Ca 0.00 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.17 3ihf h ARG 165 Cb 0.89 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.84 3ihf h ARG 165 CO 0.00 0.41 0.19 0.82 -1.07 0.00 0.00 179.97 180.32 3ihf h ILE 166 N -0.39 0.64 -0.53 2.04 2.04 -0.85 -0.36 117.51 120.10 3ihf h ILE 166 Ca 0.00 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3ihf h ILE 166 Cb 0.41 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3ihf h ILE 166 CO 0.00 0.06 0.30 0.00 0.00 0.00 0.00 178.15 178.51 3ihf h ALA 167 N 1.51 0.68 -0.12 1.87 0.00 -1.21 0.18 119.26 122.18 3ihf h ALA 167 Ca 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 3ihf h ALA 167 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ihf h ALA 167 CO -0.41 -0.02 -0.63 0.66 0.00 0.00 0.00 179.25 178.85 3ihf h SER 168 N 0.58 0.50 -0.36 0.00 4.64 -0.92 -1.62 113.55 116.37 3ihf h SER 168 Ca 0.22 -0.29 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3ihf h SER 168 Cb 0.08 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 3ihf h SER 168 CO -0.12 1.01 0.05 -0.50 -0.87 0.00 0.00 176.83 176.39 3ihf h TRP 169 N 0.32 0.08 -0.45 4.77 6.55 -0.90 -0.83 115.95 125.49 3ihf h TRP 169 Ca -0.01 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 3ihf h TRP 169 Cb 1.18 0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 29.48 3ihf h TRP 169 CO 0.04 -0.01 0.27 0.52 -1.05 0.00 0.00 178.44 178.21 3ihf h MET 170 N 0.16 0.62 -0.44 0.49 2.86 -0.48 0.37 114.93 118.51 3ihf h MET 170 Ca 0.17 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3ihf h MET 170 Cb 0.21 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3ihf h MET 170 CO -0.24 0.46 0.28 0.00 1.06 0.00 0.00 176.91 178.47 3ihf h ALA 171 N 1.12 0.56 -0.03 6.32 0.00 -1.10 0.04 119.26 126.17 3ihf h ALA 171 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ihf h ALA 171 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ihf h ALA 171 CO -0.03 0.02 -0.17 1.15 0.00 0.00 0.00 179.25 180.22 3ihf h THR 172 N 0.59 0.58 -0.16 0.00 2.02 -1.02 -1.94 112.91 112.98 3ihf h THR 172 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.38 3ihf h THR 172 Cb -0.04 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 3ihf h THR 172 CO -0.03 0.00 -0.12 0.22 0.37 0.00 0.00 175.52 175.95 3ihf h TYR 173 N -0.27 -0.31 -0.14 3.16 5.03 0.14 0.30 116.97 124.88 3ihf h TYR 173 Ca 0.06 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.43 3ihf h TYR 173 Cb 0.35 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 3ihf h TYR 173 CO -0.24 -0.19 -0.06 1.25 -1.32 0.00 0.00 178.16 177.61 3ihf h LEU 174 N -0.13 -0.19 -0.53 2.82 5.85 -1.01 0.38 115.31 122.49 3ihf h LEU 174 Ca 0.10 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3ihf h LEU 174 Cb 0.28 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ihf h LEU 174 CO -0.24 -0.08 0.23 0.78 -0.34 0.00 0.00 178.44 178.79 3ihf h ASN 175 N -0.04 0.72 0.04 1.25 -0.26 -1.07 0.45 115.58 116.67 3ihf h ASN 175 Ca 0.08 -0.16 -0.18 0.00 -0.56 0.00 0.00 56.30 55.48 3ihf h ASN 175 Cb 0.15 -0.18 0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3ihf h ASN 175 CO -0.17 0.67 -0.73 0.44 -1.06 0.00 0.00 177.43 176.59 3ihf h ASP 176 N 0.71 0.58 0.00 5.81 3.45 -0.22 -3.40 116.42 123.35 3ihf h ASP 176 Ca 0.18 -0.80 -0.30 0.00 0.43 0.00 0.00 57.03 56.53 3ihf h ASP 176 Cb 0.17 -0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 38.71 3ihf h ASP 176 CO -0.02 1.31 -2.15 1.41 -1.57 0.00 0.00 179.24 178.22 3ihf n HIS 177 N -4.14 0.00 -0.09 4.55 8.25 0.13 -4.81 115.22 119.11 3ihf n HIS 177 Ca -0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 3ihf n HIS 177 Cb 0.74 -0.80 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 3ihf n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ihf n LEU 178 N -2.82 1.66 -0.23 2.41 4.77 -0.39 -4.63 117.00 117.79 3ihf n LEU 178 Ca -0.31 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.63 3ihf n LEU 178 Cb 0.97 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 41.95 3ihf n LEU 178 CO 0.29 0.65 0.81 -0.33 -1.33 0.00 0.00 177.39 177.48 3ihf h GLU 179 N 0.00 0.09 -0.55 3.23 4.39 -0.37 -1.51 114.58 119.86 3ihf h GLU 179 Ca -0.45 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.28 3ihf h GLU 179 Cb 1.84 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.43 3ihf h GLU 179 CO -0.03 0.06 0.32 -1.35 -1.16 0.00 0.00 179.01 176.85 3ihf h PRO 180 N 0.09 0.61 -0.50 2.33 0.11 -1.85 0.42 132.00 133.21 3ihf h PRO 180 Ca 0.35 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.50 3ihf h PRO 180 Cb 0.59 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.50 3ihf h PRO 180 CO -0.60 0.40 0.14 2.35 -0.21 0.00 0.00 178.00 180.08 3ihf h TRP 181 N 0.63 0.24 -0.59 0.65 7.01 -1.71 -2.70 115.95 119.48 3ihf h TRP 181 Ca 0.22 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 3ihf h TRP 181 Cb 0.05 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 3ihf h TRP 181 CO -0.07 0.05 0.36 0.82 -2.79 0.00 0.00 178.44 176.80 3ihf h ILE 182 N 0.30 1.17 -0.61 2.65 2.04 -0.59 0.34 117.51 122.82 3ihf h ILE 182 Ca 0.25 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 3ihf h ILE 182 Cb 0.30 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ihf h ILE 182 CO -0.29 0.18 0.07 1.56 0.00 0.00 0.00 178.15 179.67 3ihf h GLN 183 N 0.80 1.02 0.00 2.37 1.08 -0.86 0.15 115.11 119.67 3ihf h GLN 183 Ca 0.21 -0.29 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 3ihf h GLN 183 Cb -0.02 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3ihf h GLN 183 CO -0.04 0.97 -0.50 1.05 -0.95 0.00 0.00 178.83 179.36 3ihf h GLU 184 N 0.92 0.00 -0.85 1.46 4.11 -1.22 -3.29 114.58 115.71 3ihf h GLU 184 Ca 0.18 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.44 3ihf h GLU 184 Cb 0.46 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 3ihf h GLU 184 CO 0.02 0.47 0.22 0.09 0.07 0.00 0.00 179.01 179.88 3ihf n ASN 185 N -3.21 3.90 0.00 3.06 3.02 0.12 -4.82 115.26 117.33 3ihf n ASN 185 Ca 0.02 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 3ihf n ASN 185 Cb 0.73 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3ihf n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihf n GLY 186 N -0.08 1.07 1.43 7.41 0.00 -1.18 -4.87 105.19 108.97 3ihf n GLY 186 Ca 0.30 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.41 3ihf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihf n GLY 187 N -1.74 -2.01 0.30 -0.02 0.00 0.52 -2.85 105.19 99.39 3ihf n GLY 187 Ca 0.00 -1.32 0.17 0.00 0.00 0.00 0.00 46.02 44.87 3ihf n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ihf h TRP 188 N -0.64 0.00 -0.63 1.61 4.06 -1.92 -2.48 115.95 115.95 3ihf h TRP 188 Ca 0.01 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3ihf h TRP 188 Cb 0.63 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.76 3ihf h TRP 188 CO 0.00 0.04 0.18 0.22 -3.56 0.00 0.00 178.44 175.32 3ihf h ASP 189 N 0.00 0.91 0.06 -3.49 3.58 -1.76 -1.49 116.42 114.23 3ihf h ASP 189 Ca -0.00 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 3ihf h ASP 189 Cb 0.22 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3ihf h ASP 189 CO 0.01 0.87 -0.29 0.74 -2.88 0.00 0.00 179.24 177.68 3ihf h THR 190 N 0.94 1.27 -0.67 2.25 2.02 -1.29 -2.49 112.91 114.94 3ihf h THR 190 Ca 0.21 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 3ihf h THR 190 Cb 0.30 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3ihf h THR 190 CO -0.00 0.40 0.39 0.15 0.37 0.00 0.00 175.52 176.82 3ihf h PHE 191 N 0.32 0.89 -0.26 3.16 3.57 -1.27 -2.16 116.94 121.18 3ihf h PHE 191 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3ihf h PHE 191 Cb 0.68 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3ihf h PHE 191 CO 0.02 0.62 0.11 0.28 -2.23 0.00 0.00 178.31 177.10 3ihf h VAL 192 N 0.91 0.96 -0.99 1.41 2.07 -1.07 0.30 116.25 119.84 3ihf h VAL 192 Ca 0.24 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 67.83 3ihf h VAL 192 Cb -0.00 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 3ihf h VAL 192 CO -0.04 0.04 0.62 0.44 0.02 0.00 0.00 177.57 178.65 3ihf h ASP 193 N 0.24 0.81 0.09 0.57 3.32 -1.10 0.90 116.42 121.25 3ihf h ASP 193 Ca 0.11 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3ihf h ASP 193 Cb 0.06 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3ihf h ASP 193 CO -0.10 0.37 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.68 3ihf h LEU 194 N 0.83 -0.10 -0.42 1.55 3.38 -1.19 -3.42 115.31 115.94 3ihf h LEU 194 Ca 0.52 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ihf h LEU 194 Cb 0.72 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ihf h LEU 194 CO -0.30 0.54 -0.39 -1.22 0.09 0.00 0.00 178.44 177.16 3ihf n TYR 195 N -4.83 0.00 1.00 1.13 4.02 0.08 -5.12 117.16 113.44 3ihf n TYR 195 Ca -0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.89 3ihf n TYR 195 Cb 0.29 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.09 3ihf n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26