#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 0.00 0.00 4.33 4.15 -2.00 -2.89 115.11 118.70 3ihf h GLN 3 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3ihf h GLN 3 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3ihf h GLN 3 CO 0.00 0.14 -1.13 -1.13 -1.93 0.00 0.00 178.83 174.79 3ihf n SER 4 N -3.48 0.84 0.06 -0.69 3.41 -1.26 -1.54 113.62 110.96 3ihf n SER 4 Ca -0.01 0.34 -0.04 0.00 -0.26 0.00 0.00 58.87 58.89 3ihf n SER 4 Cb 0.31 0.40 0.17 0.00 -0.26 0.00 0.00 64.21 64.82 3ihf n SER 4 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3ihf h ASN 5 N 0.00 0.36 -0.51 4.04 2.35 -1.95 -0.93 115.58 118.94 3ihf h ASN 5 Ca -0.04 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.44 3ihf h ASN 5 Cb 1.15 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3ihf h ASN 5 CO 0.01 0.77 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.40 3ihf h ARG 6 N 0.28 0.94 -0.34 0.81 2.43 -1.45 -1.54 114.38 115.51 3ihf h ARG 6 Ca 0.02 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3ihf h ARG 6 Cb 0.90 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3ihf h ARG 6 CO 0.07 0.99 0.18 1.49 -1.51 0.00 0.00 179.97 181.20 3ihf h GLU 7 N 0.80 0.48 -0.90 0.20 4.81 -1.11 -1.59 114.58 117.26 3ihf h GLU 7 Ca 0.14 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3ihf h GLU 7 Cb 0.61 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3ihf h GLU 7 CO 0.04 0.41 0.56 -0.07 -0.73 0.00 0.00 179.01 179.22 3ihf h LEU 8 N 0.42 0.88 -0.38 1.64 3.38 -1.12 -1.27 115.31 118.86 3ihf h LEU 8 Ca 0.12 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ihf h LEU 8 Cb 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ihf h LEU 8 CO -0.02 0.55 0.11 0.58 0.09 0.00 0.00 178.44 179.75 3ihf h VAL 9 N 1.01 1.22 -0.24 1.22 2.07 -0.96 -1.72 116.25 118.85 3ihf h VAL 9 Ca 0.40 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 3ihf h VAL 9 Cb 0.20 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3ihf h VAL 9 CO -0.18 0.26 -0.29 0.58 0.02 0.00 0.00 177.57 177.95 3ihf h VAL 10 N 0.47 1.32 -0.60 2.57 2.07 -1.08 -1.33 116.25 119.66 3ihf h VAL 10 Ca 0.12 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.18 3ihf h VAL 10 Cb 0.28 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3ihf h VAL 10 CO -0.00 0.46 0.39 -0.78 0.02 0.00 0.00 177.57 177.66 3ihf h ASP 11 N 0.33 0.65 -0.15 0.57 3.58 -1.23 -0.40 116.42 119.77 3ihf h ASP 11 Ca 0.03 -0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 3ihf h ASP 11 Cb 0.86 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.76 3ihf h ASP 11 CO 0.07 0.47 -0.67 0.15 -2.88 0.00 0.00 179.24 176.37 3ihf h PHE 12 N 0.78 1.01 -0.14 0.28 3.04 -0.91 -1.73 116.94 119.26 3ihf h PHE 12 Ca 0.23 -0.41 -0.20 0.00 3.98 0.00 0.00 57.97 61.58 3ihf h PHE 12 Cb -0.04 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.30 3ihf h PHE 12 CO -0.04 1.22 -0.71 -0.07 -2.02 0.00 0.00 178.31 176.70 3ihf h LEU 13 N 0.56 0.73 -0.74 0.59 3.38 -1.16 -1.64 115.31 117.03 3ihf h LEU 13 Ca -0.02 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3ihf h LEU 13 Cb 1.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3ihf h LEU 13 CO 0.14 1.23 0.33 0.28 0.09 0.00 0.00 178.44 180.50 3ihf h SER 14 N 0.44 1.00 -0.72 -0.43 0.02 -0.97 0.55 113.55 113.44 3ihf h SER 14 Ca -0.03 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3ihf h SER 14 Cb 1.30 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 3ihf h SER 14 CO 0.14 0.88 0.18 0.22 -1.14 0.00 0.00 176.83 177.11 3ihf h TYR 15 N 1.06 1.21 -0.21 3.45 3.20 -1.15 -0.36 116.97 124.17 3ihf h TYR 15 Ca 0.25 -0.14 -0.19 0.00 3.14 0.00 0.00 58.73 61.79 3ihf h TYR 15 Cb 0.17 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3ihf h TYR 15 CO 0.01 0.97 -0.62 0.87 -1.64 0.00 0.00 178.16 177.76 3ihf h LYS 16 N 1.09 0.71 0.60 1.82 1.79 -1.01 -0.90 116.57 120.67 3ihf h LYS 16 Ca 0.23 -0.49 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 3ihf h LYS 16 Cb 0.36 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3ihf h LYS 16 CO 0.00 1.11 -0.29 -0.07 -1.08 0.00 0.00 179.45 179.13 3ihf h LEU 17 N 0.53 -0.68 -0.74 2.94 3.38 -0.87 -3.03 115.31 116.85 3ihf h LEU 17 Ca -0.01 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3ihf h LEU 17 Cb 1.21 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 3ihf h LEU 17 CO 0.13 -0.41 0.39 -1.28 0.09 0.00 0.00 178.44 177.36 3ihf h SER 18 N -0.92 0.53 -0.51 -0.43 0.87 -0.98 -1.48 113.55 110.64 3ihf h SER 18 Ca -0.08 0.05 0.14 0.00 -1.23 0.00 0.00 61.79 60.67 3ihf h SER 18 Cb 0.65 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3ihf h SER 18 CO 0.13 0.30 0.36 -0.61 -0.53 0.00 0.00 176.83 176.49 3ihf h GLN 19 N 0.66 0.03 -0.63 2.24 4.15 -1.11 0.41 115.11 120.85 3ihf h GLN 19 Ca 0.36 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 3ihf h GLN 19 Cb 0.35 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3ihf h GLN 19 CO -0.25 0.02 0.00 1.63 -1.93 0.00 0.00 178.83 178.29 3ihf n LYS 20 N -4.40 3.23 -1.19 1.69 4.76 -0.94 -4.95 118.16 116.35 3ihf n LYS 20 Ca 0.09 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 3ihf n LYS 20 Cb 0.56 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 1.18 0.43 3.83 0.72 0.00 0.14 -5.06 105.19 106.44 3ihf n GLY 21 Ca 0.23 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 1.65 0.25 1.61 2.02 -0.60 -5.00 117.35 115.28 3ihf s TYR 22 Ca 0.00 -0.97 0.02 0.00 -0.37 0.00 0.00 57.07 55.74 3ihf s TYR 22 Cb 0.00 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3ihf s TYR 22 CO 0.00 -0.04 0.16 -1.54 -1.57 0.00 0.00 175.55 172.57 3ihf s SER 23 N -4.04 0.78 0.19 2.29 1.04 -1.26 -3.06 113.70 109.63 3ihf s SER 23 Ca 0.10 -1.49 -0.12 0.00 0.48 0.00 0.00 55.95 54.91 3ihf s SER 23 Cb -0.01 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.70 3ihf s SER 23 CO 0.06 -0.89 1.76 -0.25 0.98 0.00 0.00 173.24 174.91 3ihf h TRP 24 N 2.43 0.41 -3.71 5.02 2.91 -1.90 -3.47 115.95 117.66 3ihf h TRP 24 Ca -0.33 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.63 3ihf h TRP 24 Cb 1.25 -0.11 -0.12 0.00 -0.51 0.00 0.00 29.16 29.67 3ihf h TRP 24 CO 0.76 0.16 -0.23 -1.54 -1.03 0.00 0.00 178.44 176.56 3ihf s SER 25 N -5.44 -0.04 0.46 2.65 1.04 -1.26 -4.86 113.70 106.26 3ihf s SER 25 Ca -0.13 -0.72 0.26 0.00 0.48 0.00 0.00 55.95 55.85 3ihf s SER 25 Cb 0.15 0.46 1.44 0.00 0.10 0.00 0.00 66.02 68.17 3ihf s SER 25 CO 0.74 -0.91 1.79 0.06 0.98 0.00 0.00 173.24 175.89 3ihf h GLN 26 N 2.47 0.00 0.00 4.02 3.07 -1.97 -2.54 115.11 120.16 3ihf h GLN 26 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.43 3ihf h GLN 26 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3ihf h GLN 26 CO 0.46 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.57 3ihf n PHE 27 N -2.51 0.00 -0.20 0.06 3.72 -1.26 -4.92 117.46 112.35 3ihf n PHE 27 Ca -0.02 -0.22 -0.11 0.00 -0.05 0.00 0.00 57.45 57.06 3ihf n PHE 27 Cb 0.17 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.22 4.35 -4.24 4.37 3.41 -0.96 -5.17 113.62 115.17 3ihf n SER 28 Ca 0.00 -2.73 -0.43 0.00 -0.26 0.00 0.00 58.87 55.45 3ihf n SER 28 Cb 0.22 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.27 5.97 0.41 4.04 1.11 -1.26 -4.84 116.67 122.36 3ihf s ASP 29 Ca 0.23 -2.22 0.07 0.00 0.18 0.00 0.00 52.55 50.81 3ihf s ASP 29 Cb 0.19 -2.07 -0.06 0.00 1.07 0.00 0.00 42.92 42.04 3ihf s ASP 29 CO 0.03 -0.65 0.10 -0.94 1.18 0.00 0.00 175.17 174.89 3ihf s SER 73 N 2.42 4.17 0.48 0.27 1.04 -1.26 -5.28 113.70 115.54 3ihf s SER 73 Ca 0.10 -1.20 -0.22 0.00 0.48 0.00 0.00 55.95 55.10 3ihf s SER 73 Cb -0.22 -0.45 -0.09 0.00 0.10 0.00 0.00 66.02 65.36 3ihf s SER 73 CO -0.02 -0.49 0.94 -1.20 0.98 0.00 0.00 173.24 173.45 3ihf n SER 74 N -1.11 0.87 -4.82 7.02 7.64 -1.26 -4.99 113.62 116.98 3ihf n SER 74 Ca -0.03 0.95 -0.33 0.00 1.01 0.00 0.00 58.87 60.47 3ihf n SER 74 Cb 0.65 -1.34 -0.07 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.68 3.94 0.12 -3.43 0.20 -1.26 -4.95 118.68 112.62 3ihf s LEU 75 Ca 0.66 1.73 -0.11 0.00 0.69 0.00 0.00 54.13 57.10 3ihf s LEU 75 Cb -0.51 -4.53 0.10 0.00 -0.43 0.00 0.00 46.19 40.81 3ihf s LEU 75 CO 0.54 -0.41 0.86 0.47 -0.29 0.00 0.00 176.35 177.53 3ihf n ASP 76 N -0.66 -0.41 -4.77 3.68 10.43 -1.26 -4.51 116.55 119.04 3ihf n ASP 76 Ca 0.07 0.98 -0.38 0.00 2.57 0.00 0.00 54.79 58.03 3ihf n ASP 76 Cb 0.54 -0.20 -0.04 0.00 1.84 0.00 0.00 41.12 43.25 3ihf n ASP 76 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ihf s ALA 77 N -5.47 3.23 0.00 2.24 0.00 -1.26 -4.95 121.76 115.55 3ihf s ALA 77 Ca -0.07 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3ihf s ALA 77 Cb 0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3ihf s ALA 77 CO 0.39 -0.16 0.00 -2.13 0.00 0.00 0.00 175.76 173.85 3ihf n ARG 78 N 0.53 0.00 -2.97 0.00 3.00 -1.26 -5.11 116.66 110.85 3ihf n ARG 78 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.91 3ihf n ARG 78 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 3ihf n ARG 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3ihf s GLU 79 N -2.47 0.18 0.00 -0.14 2.12 -1.26 -5.17 118.70 111.96 3ihf s GLU 79 Ca 0.00 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.36 3ihf s GLU 79 Cb 0.00 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.44 3ihf s GLU 79 CO 0.00 -0.30 0.00 1.33 -0.54 0.00 0.00 175.26 175.75 3ihf n VAL 80 N 4.40 0.00 0.00 3.70 0.24 -1.26 -5.18 118.33 120.23 3ihf n VAL 80 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3ihf n VAL 80 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 -3.92 1.34 3.06 -1.26 -4.89 119.36 113.70 3ihf n ILE 81 Ca 0.00 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.89 3ihf n ILE 81 Cb 0.00 -0.83 -0.07 0.00 0.54 0.00 0.00 39.64 39.27 3ihf n ILE 81 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3ihf s PRO 82 N -1.92 3.61 0.34 9.51 0.05 -1.26 -4.02 135.00 141.30 3ihf s PRO 82 Ca 0.00 -0.20 0.12 0.00 0.05 0.00 0.00 61.00 60.97 3ihf s PRO 82 Cb 0.00 -3.20 0.98 0.00 0.05 0.00 0.00 34.50 32.33 3ihf s PRO 82 CO 0.00 0.61 1.71 1.98 0.05 0.00 0.00 177.00 181.35 3ihf h MET 83 N 5.56 0.46 -0.50 4.56 4.05 -2.00 -2.46 114.93 124.60 3ihf h MET 83 Ca -0.50 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 58.81 3ihf h MET 83 Cb 1.20 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 3ihf h MET 83 CO 0.63 0.30 -0.04 0.00 0.23 0.00 0.00 176.91 178.03 3ihf h ALA 84 N 1.76 0.98 -0.09 0.39 0.00 -2.00 -1.02 119.26 119.28 3ihf h ALA 84 Ca 0.67 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 3ihf h ALA 84 Cb 1.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ihf h ALA 84 CO -0.50 0.61 -0.68 0.00 0.00 0.00 0.00 179.25 178.69 3ihf h ALA 85 N 1.15 0.67 -0.51 0.00 0.00 -1.83 -2.96 119.26 115.77 3ihf h ALA 85 Ca 0.14 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3ihf h ALA 85 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ihf h ALA 85 CO 0.03 0.75 -0.10 0.28 0.00 0.00 0.00 179.25 180.21 3ihf h VAL 86 N 0.27 1.26 -0.40 0.00 2.07 -1.38 -2.39 116.25 115.68 3ihf h VAL 86 Ca -0.02 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 3ihf h VAL 86 Cb 1.23 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3ihf h VAL 86 CO 0.11 0.43 -0.24 0.11 0.02 0.00 0.00 177.57 178.01 3ihf h LYS 87 N 0.85 0.80 -0.08 1.57 1.57 -1.19 -0.88 116.57 119.21 3ihf h LYS 87 Ca 0.14 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3ihf h LYS 87 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3ihf h LYS 87 CO 0.04 0.96 -0.25 0.37 -0.57 0.00 0.00 179.45 180.00 3ihf h GLN 88 N 0.70 0.31 -0.70 3.15 5.75 -1.50 -2.16 115.11 120.67 3ihf h GLN 88 Ca 0.09 -0.23 0.09 0.00 -0.15 0.00 0.00 58.65 58.45 3ihf h GLN 88 Cb 0.76 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.28 3ihf h GLN 88 CO 0.06 0.85 0.36 0.00 -2.65 0.00 0.00 178.83 177.45 3ihf h ALA 89 N 0.47 0.96 -0.37 3.38 0.00 -1.38 -2.00 119.26 120.32 3ihf h ALA 89 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3ihf h ALA 89 Cb 0.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3ihf h ALA 89 CO 0.05 -0.02 -0.02 1.25 0.00 0.00 0.00 179.25 180.51 3ihf h LEU 90 N 0.62 0.66 -0.28 0.00 5.85 -1.20 -1.07 115.31 119.90 3ihf h LEU 90 Ca 0.34 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3ihf h LEU 90 Cb 0.33 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3ihf h LEU 90 CO -0.25 0.82 -0.28 0.03 -0.34 0.00 0.00 178.44 178.43 3ihf h ARG 91 N 0.49 -0.26 -0.22 1.25 3.08 -1.18 -0.74 114.38 116.79 3ihf h ARG 91 Ca 0.10 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3ihf h ARG 91 Cb 0.50 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3ihf h ARG 91 CO 0.02 -0.17 0.07 0.93 -1.07 0.00 0.00 179.97 179.75 3ihf h GLU 92 N -0.27 0.35 -0.11 0.04 5.08 -1.31 0.16 114.58 118.53 3ihf h GLU 92 Ca 0.15 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3ihf h GLU 92 Cb 0.50 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ihf h GLU 92 CO -0.44 0.43 -0.20 0.00 -1.00 0.00 0.00 179.01 177.80 3ihf h ALA 93 N 0.90 1.47 -0.27 3.43 0.00 -1.06 0.18 119.26 123.90 3ihf h ALA 93 Ca 0.07 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3ihf h ALA 93 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ihf h ALA 93 CO -0.00 0.38 -0.51 0.78 0.00 0.00 0.00 179.25 179.90 3ihf h GLY 94 N 0.82 0.90 0.87 0.00 0.00 -0.82 0.80 103.07 105.65 3ihf h GLY 94 Ca 0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.27 3ihf h GLY 94 CO 0.03 0.94 0.02 -0.55 0.00 0.00 0.00 176.54 176.98 3ihf h ASP 95 N 0.58 0.47 -0.39 0.19 3.32 -0.05 -1.68 116.42 118.87 3ihf h ASP 95 Ca 0.01 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.80 3ihf h ASP 95 Cb 1.11 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 3ihf h ASP 95 CO 0.11 0.65 0.19 -0.33 -1.72 0.00 0.00 179.24 178.14 3ihf h GLU 96 N 0.28 0.38 -0.40 3.56 4.39 -0.55 -1.87 114.58 120.36 3ihf h GLU 96 Ca 0.08 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.83 3ihf h GLU 96 Cb 0.40 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 3ihf h GLU 96 CO 0.01 0.25 0.03 0.35 -1.16 0.00 0.00 179.01 178.49 3ihf h PHE 97 N 0.39 0.03 -0.12 4.33 3.04 -0.81 -2.24 116.94 121.56 3ihf h PHE 97 Ca 0.17 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.05 3ihf h PHE 97 Cb 0.08 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3ihf h PHE 97 CO -0.10 -0.05 -0.35 1.49 -2.02 0.00 0.00 178.31 177.27 3ihf h GLU 98 N 0.14 0.24 0.00 1.11 4.81 -1.09 -2.29 114.58 117.50 3ihf h GLU 98 Ca 0.20 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3ihf h GLU 98 Cb 0.27 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3ihf h GLU 98 CO -0.31 0.57 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.23 3ihf h LEU 99 N 0.21 0.00 0.06 1.64 3.38 -1.03 -3.32 115.31 116.25 3ihf h LEU 99 Ca 0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.67 3ihf h LEU 99 Cb 0.73 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3ihf h LEU 99 CO 0.06 0.24 -1.86 -1.14 0.09 0.00 0.00 178.44 175.83 3ihf n ARG 100 N -3.51 0.69 -3.83 1.13 3.00 -0.87 -4.66 116.66 108.61 3ihf n ARG 100 Ca -0.01 0.28 -0.30 0.00 -0.00 0.00 0.00 57.85 57.82 3ihf n ARG 100 Cb 0.40 -1.75 -0.11 0.00 0.00 0.00 0.00 32.46 31.00 3ihf n ARG 100 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3ihf s TYR 101 N -2.58 3.66 0.15 -0.14 2.02 -0.88 -5.01 117.35 114.58 3ihf s TYR 101 Ca -0.13 -3.26 -0.13 0.00 -0.37 0.00 0.00 57.07 53.18 3ihf s TYR 101 Cb 0.07 -2.86 0.14 0.00 -0.40 0.00 0.00 41.96 38.91 3ihf s TYR 101 CO 0.80 -0.60 1.07 2.89 -1.57 0.00 0.00 175.55 178.14 3ihf n ARG 102 N 2.08 -0.18 0.00 -0.62 1.85 -1.26 -4.19 116.66 114.34 3ihf n ARG 102 Ca 0.20 1.06 0.00 0.00 -1.00 0.00 0.00 57.85 58.11 3ihf n ARG 102 Cb 0.35 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 3ihf n ARG 102 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ihf n ARG 103 N -4.99 0.00 0.00 2.89 3.00 -1.26 -4.97 116.66 111.33 3ihf n ARG 103 Ca 0.06 0.15 0.00 0.00 -0.01 0.00 0.00 57.85 58.05 3ihf n ARG 103 Cb 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 32.46 32.10 3ihf n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ihf n ALA 104 N -1.02 0.00 -0.92 7.54 0.00 -1.26 -4.04 120.51 120.81 3ihf n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ihf n ALA 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.06 0.00 -0.24 0.00 3.72 -1.26 -4.87 117.46 113.76 3ihf n PHE 105 Ca 0.00 -0.03 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 3ihf n PHE 105 Cb 0.00 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3ihf n PHE 105 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ihf h SER 106 N 0.00 -1.09 -0.78 4.37 0.87 -1.98 2.62 113.55 117.57 3ihf h SER 106 Ca 0.00 0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 3ihf h SER 106 Cb 0.87 0.57 -0.11 0.00 -0.44 0.00 0.00 62.40 63.30 3ihf h SER 106 CO 0.00 -0.29 -0.57 0.44 -0.53 0.00 0.00 176.83 175.88 3ihf h ASP 107 N -0.10 -2.04 -0.26 6.23 5.19 -1.95 -0.15 116.42 123.35 3ihf h ASP 107 Ca 0.28 0.30 -0.00 0.00 -0.62 0.00 0.00 57.03 56.99 3ihf h ASP 107 Cb 0.56 0.88 -0.01 0.00 0.18 0.00 0.00 39.33 40.94 3ihf h ASP 107 CO -0.75 -0.30 0.16 -0.07 -3.12 0.00 0.00 179.24 175.16 3ihf h LEU 108 N -0.15 0.31 0.28 1.55 4.07 0.83 -1.26 115.31 120.94 3ihf h LEU 108 Ca 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 3ihf h LEU 108 Cb 0.48 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3ihf h LEU 108 CO -0.81 0.27 -0.13 0.74 -1.08 0.00 0.00 178.44 177.42 3ihf h THR 109 N 0.33 0.76 -0.11 0.22 2.02 0.43 -0.68 112.91 115.88 3ihf h THR 109 Ca 0.09 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.94 3ihf h THR 109 Cb 0.01 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3ihf h THR 109 CO -0.02 0.08 0.16 0.28 0.37 0.00 0.00 175.52 176.39 3ihf h SER 110 N -0.57 0.00 -0.16 4.18 0.02 -1.07 0.94 113.55 116.89 3ihf h SER 110 Ca -0.04 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 3ihf h SER 110 Cb 0.42 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.96 3ihf h SER 110 CO 0.06 0.00 -0.54 1.56 -1.14 0.00 0.00 176.83 176.78 3ihf h GLN 111 N 0.00 0.64 -0.05 3.45 4.20 0.08 -3.26 115.11 120.18 3ihf h GLN 111 Ca 0.05 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.23 3ihf h GLN 111 Cb 0.36 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3ihf h GLN 111 CO -0.00 1.10 -0.16 1.25 -0.67 0.00 0.00 178.83 180.35 3ihf h LEU 112 N 0.31 0.22 -3.76 1.46 6.46 -0.60 -3.48 115.31 115.93 3ihf h LEU 112 Ca -0.02 -0.63 -0.51 0.00 -0.12 0.00 0.00 57.88 56.59 3ihf h LEU 112 Cb 1.16 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.03 3ihf h LEU 112 CO 0.11 0.82 -1.02 1.57 -0.62 0.00 0.00 178.44 179.30 3ihf n HIS 113 N -4.59 -1.81 -1.97 1.25 -0.00 0.27 -4.82 115.22 103.55 3ihf n HIS 113 Ca -0.08 0.53 -0.41 0.00 -0.00 0.00 0.00 57.72 57.75 3ihf n HIS 113 Cb 0.41 -2.85 -0.02 0.00 -0.00 0.00 0.00 29.99 27.53 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 -3.22 2.57 0.36 3.57 2.07 -1.26 -4.98 121.20 120.32 3ihf s ILE 114 Ca 0.21 0.47 0.04 0.00 -1.41 0.00 0.00 60.65 59.96 3ihf s ILE 114 Cb -0.11 -3.30 -0.03 0.00 0.13 0.00 0.00 42.46 39.14 3ihf s ILE 114 CO 0.92 0.07 0.13 0.42 -1.91 0.00 0.00 174.94 174.57 3ihf s THR 115 N 0.13 0.60 -0.25 4.00 -4.23 -1.26 -5.00 115.64 109.64 3ihf s THR 115 Ca 0.61 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.25 3ihf s THR 115 Cb -0.43 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.07 3ihf s THR 115 CO 0.42 0.00 1.31 -2.65 -0.54 0.00 0.00 174.62 173.17 3ihf n PRO 116 N -0.78 0.08 0.11 3.99 -0.02 -1.26 -2.39 135.00 134.74 3ihf n PRO 116 Ca -0.03 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3ihf n PRO 116 Cb 0.65 -1.93 0.10 0.00 -0.02 0.00 0.00 33.50 32.30 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 -4.25 -1.23 0.00 -1.98 -3.48 103.07 92.12 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 0.74 -1.59 0.00 0.00 0.00 176.54 175.69 3ihf s THR 118 N -3.26 2.78 0.21 4.70 2.01 -1.00 -5.03 115.64 116.04 3ihf s THR 118 Ca 0.03 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.74 3ihf s THR 118 Cb 0.10 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3ihf s THR 118 CO 0.74 0.10 0.25 0.00 -0.69 0.00 0.00 174.62 175.02 3ihf s ALA 119 N 0.05 3.76 0.40 7.40 0.00 -1.26 -4.94 121.76 127.17 3ihf s ALA 119 Ca 0.59 -1.24 0.19 0.00 0.00 0.00 0.00 51.96 51.50 3ihf s ALA 119 Cb -0.41 -1.54 1.12 0.00 0.00 0.00 0.00 23.12 22.29 3ihf s ALA 119 CO 0.42 0.37 1.77 -0.92 0.00 0.00 0.00 175.76 177.39 3ihf h TYR 120 N 1.75 0.65 -0.31 0.00 3.20 -1.99 -2.59 116.97 117.69 3ihf h TYR 120 Ca -0.49 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.30 3ihf h TYR 120 Cb 1.22 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 3ihf h TYR 120 CO 0.53 0.05 -0.21 1.96 -1.64 0.00 0.00 178.16 178.85 3ihf h GLN 121 N 0.38 0.58 -0.53 1.82 4.20 -1.98 0.09 115.11 119.67 3ihf h GLN 121 Ca 0.60 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 59.02 3ihf h GLN 121 Cb 1.54 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 3ihf h GLN 121 CO -0.30 0.75 0.00 0.77 -0.67 0.00 0.00 178.83 179.38 3ihf h SER 122 N 0.52 0.92 -0.35 1.46 0.02 -1.87 0.11 113.55 114.35 3ihf h SER 122 Ca 0.08 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 3ihf h SER 122 Cb 0.64 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3ihf h SER 122 CO 0.05 1.00 0.10 0.15 -1.14 0.00 0.00 176.83 176.99 3ihf h PHE 123 N 0.82 0.57 -0.82 3.45 3.57 -1.47 -2.40 116.94 120.65 3ihf h PHE 123 Ca 0.15 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3ihf h PHE 123 Cb 0.53 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 3ihf h PHE 123 CO 0.04 0.56 0.50 1.49 -2.23 0.00 0.00 178.31 178.67 3ihf h GLU 124 N 0.41 0.90 -0.20 1.11 4.81 -0.83 -0.88 114.58 119.89 3ihf h GLU 124 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ihf h GLU 124 Cb 0.27 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ihf h GLU 124 CO -0.00 0.60 0.13 0.37 -0.73 0.00 0.00 179.01 179.37 3ihf h GLN 125 N 0.93 0.27 -0.44 1.92 4.15 -0.68 -1.22 115.11 120.04 3ihf h GLN 125 Ca 0.35 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.72 3ihf h GLN 125 Cb 0.14 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3ihf h GLN 125 CO -0.16 0.21 0.17 0.28 -1.93 0.00 0.00 178.83 177.39 3ihf h VAL 126 N 0.26 1.21 -0.84 2.39 2.07 -1.34 -3.14 116.25 116.86 3ihf h VAL 126 Ca 0.07 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3ihf h VAL 126 Cb 0.00 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3ihf h VAL 126 CO -0.01 0.24 0.44 0.58 0.02 0.00 0.00 177.57 178.83 3ihf h VAL 127 N 0.57 1.25 -1.01 2.57 2.07 -1.03 -2.56 116.25 118.11 3ihf h VAL 127 Ca 0.15 -0.64 0.24 0.00 0.82 0.00 0.00 66.70 67.26 3ihf h VAL 127 Cb 0.21 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.01 3ihf h VAL 127 CO -0.01 0.29 0.63 0.78 0.02 0.00 0.00 177.57 179.27 3ihf h ASN 128 N 1.17 0.59 0.21 0.57 -0.26 -1.18 0.25 115.58 116.94 3ihf h ASN 128 Ca 0.29 0.10 -0.11 0.00 -0.56 0.00 0.00 56.30 56.02 3ihf h ASN 128 Cb 0.06 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 3ihf h ASN 128 CO -0.04 0.15 -0.40 -0.33 -1.06 0.00 0.00 177.43 175.74 3ihf h GLU 129 N 0.54 0.25 -0.43 0.81 4.39 -1.45 -1.72 114.58 116.98 3ihf h GLU 129 Ca 0.59 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 60.13 3ihf h GLU 129 Cb 1.25 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 3ihf h GLU 129 CO -0.36 0.62 0.06 1.25 -1.16 0.00 0.00 179.01 179.42 3ihf h LEU 130 N 0.21 0.62 -3.15 1.33 5.85 -0.42 -2.03 115.31 117.72 3ihf h LEU 130 Ca 0.02 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 3ihf h LEU 130 Cb 0.80 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 3ihf h LEU 130 CO 0.06 0.64 0.17 0.49 -0.34 0.00 0.00 178.44 179.47 3ihf n PHE 131 N -4.28 1.85 0.00 1.25 3.72 -0.70 -4.72 117.46 114.59 3ihf n PHE 131 Ca 0.03 -0.89 0.02 0.00 -0.05 0.00 0.00 57.45 56.56 3ihf n PHE 131 Cb 0.23 -0.54 0.36 0.00 -0.94 0.00 0.00 39.48 38.59 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 2.27 0.52 -0.44 -1.08 0.11 -0.78 -0.27 114.38 114.72 3ihf h ARG 132 Ca 0.17 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.17 3ihf h ARG 132 Cb 1.91 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.89 3ihf h ARG 132 CO 0.54 0.45 0.00 -3.47 0.10 0.00 0.00 179.97 177.59 3ihf n ASP 133 N -4.37 2.29 0.00 0.08 4.64 -1.26 -5.04 116.55 112.88 3ihf n ASP 133 Ca 0.02 -2.04 0.00 0.00 -1.38 0.00 0.00 54.79 51.40 3ihf n ASP 133 Cb 0.16 -0.30 0.00 0.00 -1.04 0.00 0.00 41.12 39.94 3ihf n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ihf n GLY 134 N 1.10 1.15 3.89 0.27 0.00 -0.11 -5.04 105.19 106.44 3ihf n GLY 134 Ca 0.14 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.51 5.39 0.32 1.61 1.01 -1.26 -4.74 120.40 121.23 3ihf s VAL 135 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 3ihf s VAL 135 Cb 0.00 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3ihf s VAL 135 CO 0.00 0.44 0.71 0.54 0.00 0.00 0.00 175.10 176.80 3ihf s ASN 136 N -1.53 -0.06 0.27 3.32 2.20 -1.26 -5.02 114.94 112.86 3ihf s ASN 136 Ca 0.23 -0.92 0.04 0.00 -0.94 0.00 0.00 52.86 51.27 3ihf s ASN 136 Cb -0.13 0.76 0.36 0.00 -2.00 0.00 0.00 41.25 40.25 3ihf s ASN 136 CO 0.13 -1.47 1.66 -0.50 -2.94 0.00 0.00 177.10 173.98 3ihf h TRP 137 N 2.03 0.41 -0.92 1.54 4.06 -1.99 -2.15 115.95 118.92 3ihf h TRP 137 Ca -0.26 -0.12 0.03 0.00 2.06 0.00 0.00 58.89 60.61 3ihf h TRP 137 Cb 1.25 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 29.27 3ihf h TRP 137 CO 0.88 0.71 0.60 0.78 -3.56 0.00 0.00 178.44 177.86 3ihf h GLY 138 N 1.18 1.34 1.14 1.49 0.00 -1.99 -1.82 103.07 104.41 3ihf h GLY 138 Ca 0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 3ihf h GLY 138 CO 0.07 0.41 -0.40 0.00 0.00 0.00 0.00 176.54 176.62 3ihf h ALA 139 N 1.37 0.57 -0.43 3.60 0.00 -1.87 -1.30 119.26 121.19 3ihf h ALA 139 Ca 0.36 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ihf h ALA 139 Cb -0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 3ihf h ALA 139 CO -0.11 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.61 3ihf h ILE 140 N 0.76 0.64 -0.58 0.00 2.04 -1.25 0.32 117.51 119.43 3ihf h ILE 140 Ca 0.06 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3ihf h ILE 140 Cb 1.00 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3ihf h ILE 140 CO 0.10 0.01 0.33 0.58 0.00 0.00 0.00 178.15 179.17 3ihf h VAL 141 N 0.08 1.18 -0.65 1.67 2.07 -1.26 -1.55 116.25 117.79 3ihf h VAL 141 Ca 0.21 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3ihf h VAL 141 Cb 0.32 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3ihf h VAL 141 CO -0.38 0.19 0.43 0.00 0.02 0.00 0.00 177.57 177.83 3ihf h ALA 142 N 1.16 0.83 -0.09 1.67 0.00 -0.99 -0.84 119.26 121.00 3ihf h ALA 142 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3ihf h ALA 142 Cb 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3ihf h ALA 142 CO -0.04 0.23 -0.27 0.35 0.00 0.00 0.00 179.25 179.53 3ihf h PHE 143 N 0.86 -0.73 -0.65 0.00 3.57 -0.02 0.28 116.94 120.26 3ihf h PHE 143 Ca 0.24 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.86 3ihf h PHE 143 Cb -0.08 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 3ihf h PHE 143 CO -0.03 -0.35 0.28 0.74 -2.23 0.00 0.00 178.31 176.72 3ihf h PHE 144 N -0.36 0.50 -0.14 0.41 0.04 -1.09 -2.33 116.94 113.97 3ihf h PHE 144 Ca 0.09 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.77 3ihf h PHE 144 Cb 0.49 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3ihf h PHE 144 CO -0.34 0.16 -0.42 0.77 -0.60 0.00 0.00 178.31 177.87 3ihf h SER 145 N 0.50 0.35 0.14 2.17 0.02 -1.01 0.50 113.55 116.21 3ihf h SER 145 Ca 0.32 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3ihf h SER 145 Cb 0.36 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3ihf h SER 145 CO -0.28 0.73 -0.31 0.15 -1.14 0.00 0.00 176.83 175.98 3ihf h PHE 146 N 0.27 -0.86 -0.27 3.45 3.57 -0.05 -0.06 116.94 122.99 3ihf h PHE 146 Ca 0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3ihf h PHE 146 Cb 0.86 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 3ihf h PHE 146 CO 0.02 -0.42 -0.16 0.78 -2.23 0.00 0.00 178.31 176.29 3ihf h GLY 147 N -0.55 0.03 0.27 2.40 0.00 -1.12 -0.57 103.07 103.52 3ihf h GLY 147 Ca 0.03 0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.65 3ihf h GLY 147 CO -0.17 -0.17 0.06 -1.33 0.00 0.00 0.00 176.54 174.93 3ihf h GLY 148 N -0.14 0.57 1.21 4.60 0.00 -0.83 -0.67 103.07 107.82 3ihf h GLY 148 Ca 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 3ihf h GLY 148 CO -0.35 -0.10 0.19 0.00 0.00 0.00 0.00 176.54 176.27 3ihf h ALA 149 N 1.42 1.12 -0.57 3.60 0.00 -0.24 -0.58 119.26 124.00 3ihf h ALA 149 Ca 0.25 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3ihf h ALA 149 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ihf h ALA 149 CO -0.37 0.60 0.05 -0.07 0.00 0.00 0.00 179.25 179.47 3ihf h LEU 150 N 0.95 0.90 0.80 0.00 4.07 -0.72 -1.46 115.31 119.85 3ihf h LEU 150 Ca 0.21 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3ihf h LEU 150 Cb 0.29 -0.24 0.01 0.00 1.08 0.00 0.00 40.66 41.80 3ihf h LEU 150 CO -0.01 0.93 -0.39 0.00 -1.08 0.00 0.00 178.44 177.89 3ihf h VAL 152 N -1.11 0.23 -0.80 0.00 2.07 -1.04 -0.57 116.25 115.03 3ihf h VAL 152 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.53 3ihf h VAL 152 Cb 0.83 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3ihf h VAL 152 CO 0.18 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 178.11 3ihf h GLU 153 N -0.52 0.64 -0.40 1.57 4.57 -1.32 -1.08 114.58 118.04 3ihf h GLU 153 Ca 0.06 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3ihf h GLU 153 Cb 0.61 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3ihf h GLU 153 CO -0.29 0.42 0.21 0.77 -1.18 0.00 0.00 179.01 178.94 3ihf h SER 154 N 0.66 0.51 -0.48 1.04 0.02 -0.42 -0.01 113.55 114.88 3ihf h SER 154 Ca 0.41 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3ihf h SER 154 Cb 0.49 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3ihf h SER 154 CO -0.31 0.46 0.29 0.58 -1.14 0.00 0.00 176.83 176.72 3ihf h VAL 155 N 0.51 1.06 0.00 2.27 2.07 -0.48 0.22 116.25 121.91 3ihf h VAL 155 Ca 0.14 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3ihf h VAL 155 Cb 0.07 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3ihf h VAL 155 CO -0.02 0.11 -0.25 -0.78 0.02 0.00 0.00 177.57 176.64 3ihf h ASP 156 N 0.58 0.00 -0.39 0.57 3.58 -0.91 0.12 116.42 119.97 3ihf h ASP 156 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3ihf h ASP 156 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3ihf h ASP 156 CO -0.08 0.25 0.00 0.29 -2.88 0.00 0.00 179.24 176.83 3ihf n LYS 157 N -3.74 2.50 -3.61 0.28 5.02 -0.04 -4.93 118.16 113.64 3ihf n LYS 157 Ca -0.01 -1.64 -0.23 0.00 -2.02 0.00 0.00 58.31 54.41 3ihf n LYS 157 Cb 0.36 -1.58 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.58 -7.34 -2.44 1.97 -0.58 0.42 -4.92 120.64 108.33 3ihf n GLU 158 Ca 0.15 0.80 -0.23 0.00 -0.42 0.00 0.00 57.16 57.46 3ihf n GLU 158 Cb 0.54 -5.81 0.01 0.00 -0.57 0.00 0.00 31.44 25.60 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 -4.78 3.09 -0.08 3.49 2.81 0.70 -4.90 117.12 117.46 3ihf n MET 159 Ca -0.06 -4.25 0.26 0.00 -1.81 0.00 0.00 57.70 51.84 3ihf n MET 159 Cb 0.58 -2.10 0.64 0.00 -0.71 0.00 0.00 33.22 31.63 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 2.57 0.00 0.00 0.03 5.75 -1.84 -1.84 115.11 119.78 3ihf h GLN 160 Ca 0.24 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3ihf h GLN 160 Cb 1.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 3ihf h GLN 160 CO 0.77 0.00 -0.05 -0.39 -2.65 0.00 0.00 178.83 176.51 3ihf h VAL 161 N 0.00 0.30 0.00 2.39 -1.51 -1.94 -2.58 116.25 112.91 3ihf h VAL 161 Ca 0.36 -0.28 -0.18 0.00 -1.23 0.00 0.00 66.70 65.37 3ihf h VAL 161 Cb 1.96 1.21 -0.02 0.00 -2.13 0.00 0.00 31.29 32.31 3ihf h VAL 161 CO -0.00 0.04 -0.82 -0.07 -1.23 0.00 0.00 177.57 175.49 3ihf h LEU 162 N 0.00 0.07 -0.07 4.19 3.38 -1.73 -3.29 115.31 117.86 3ihf h LEU 162 Ca -0.00 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ihf h LEU 162 Cb 0.21 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3ihf h LEU 162 CO 0.01 0.86 -0.26 0.58 0.09 0.00 0.00 178.44 179.71 3ihf h VAL 163 N 0.03 0.39 0.00 1.22 2.07 -1.63 0.46 116.25 118.79 3ihf h VAL 163 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ihf h VAL 163 Cb 1.44 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ihf h VAL 163 CO 0.11 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.39 3ihf h SER 164 N -0.36 0.00 -0.06 0.57 0.87 -1.75 0.19 113.55 113.01 3ihf h SER 164 Ca 0.08 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3ihf h SER 164 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3ihf h SER 164 CO -0.28 0.03 -0.13 0.03 -0.53 0.00 0.00 176.83 175.95 3ihf h ARG 165 N 0.00 0.19 -0.20 2.24 3.08 -1.09 -2.65 114.38 115.95 3ihf h ARG 165 Ca -0.00 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.95 3ihf h ARG 165 Cb 0.69 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3ihf h ARG 165 CO 0.00 0.72 0.02 0.82 -1.07 0.00 0.00 179.97 180.47 3ihf h ILE 166 N -0.32 0.89 -0.71 2.04 2.04 0.06 -0.75 117.51 120.75 3ihf h ILE 166 Ca 0.00 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.98 3ihf h ILE 166 Cb 0.72 0.78 -0.13 0.00 -0.74 0.00 0.00 36.82 37.45 3ihf h ILE 166 CO 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 178.15 178.08 3ihf h ALA 167 N 1.16 0.56 -0.34 1.87 0.00 -0.97 0.93 119.26 122.46 3ihf h ALA 167 Ca 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3ihf h ALA 167 Cb 0.10 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3ihf h ALA 167 CO -0.14 -0.42 0.15 1.03 0.00 0.00 0.00 179.25 179.88 3ihf h SER 168 N 0.03 0.46 -0.89 0.00 0.87 -1.03 -1.47 113.55 111.52 3ihf h SER 168 Ca 0.36 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3ihf h SER 168 Cb 0.57 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 3ihf h SER 168 CO -0.70 0.47 0.59 -0.50 -0.53 0.00 0.00 176.83 176.16 3ihf h TRP 169 N 0.41 1.11 -0.24 2.24 6.55 -0.74 -0.83 115.95 124.45 3ihf h TRP 169 Ca 0.12 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.92 3ihf h TRP 169 Cb 0.14 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.06 3ihf h TRP 169 CO -0.01 0.70 -0.10 0.52 -1.05 0.00 0.00 178.44 178.50 3ihf h MET 170 N 1.20 0.49 -0.93 0.49 2.86 -0.66 0.21 114.93 118.59 3ihf h MET 170 Ca 0.33 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3ihf h MET 170 Cb -0.13 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 3ihf h MET 170 CO -0.07 0.75 0.54 0.00 1.06 0.00 0.00 176.91 179.18 3ihf h ALA 171 N 0.73 1.20 0.04 6.32 0.00 -1.01 -0.10 119.26 126.45 3ihf h ALA 171 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ihf h ALA 171 Cb 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ihf h ALA 171 CO 0.03 0.67 -0.02 1.15 0.00 0.00 0.00 179.25 181.08 3ihf h THR 172 N 1.29 1.05 -0.15 0.00 2.02 -1.06 -0.68 112.91 115.39 3ihf h THR 172 Ca 0.33 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3ihf h THR 172 Cb -0.02 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3ihf h THR 172 CO -0.06 0.07 -0.07 0.22 0.37 0.00 0.00 175.52 176.06 3ihf h TYR 173 N -0.18 -0.16 -0.21 3.16 5.03 -0.34 0.46 116.97 124.73 3ihf h TYR 173 Ca -0.01 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.37 3ihf h TYR 173 Cb 0.16 0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.49 3ihf h TYR 173 CO -0.03 -0.11 -0.12 1.25 -1.32 0.00 0.00 178.16 177.83 3ihf h LEU 174 N -0.05 -0.39 -0.31 2.82 5.85 -1.03 0.33 115.31 122.52 3ihf h LEU 174 Ca 0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3ihf h LEU 174 Cb 0.17 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ihf h LEU 174 CO -0.18 -0.15 0.18 0.78 -0.34 0.00 0.00 178.44 178.73 3ihf h ASN 175 N -0.10 0.38 -0.03 1.25 -0.26 -0.72 0.16 115.58 116.27 3ihf h ASN 175 Ca 0.12 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.68 3ihf h ASN 175 Cb 0.28 -0.10 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 3ihf h ASN 175 CO -0.27 0.34 -0.44 0.44 -1.06 0.00 0.00 177.43 176.44 3ihf h ASP 176 N 0.40 0.43 0.02 5.81 3.45 0.03 -3.39 116.42 123.17 3ihf h ASP 176 Ca 0.11 -0.73 -0.39 0.00 0.43 0.00 0.00 57.03 56.45 3ihf h ASP 176 Cb 0.03 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 38.61 3ihf h ASP 176 CO -0.02 1.10 -2.32 1.41 -1.57 0.00 0.00 179.24 177.83 3ihf n HIS 177 N -4.34 0.30 -0.05 4.55 8.25 0.11 -4.78 115.22 119.25 3ihf n HIS 177 Ca -0.09 0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 3ihf n HIS 177 Cb 0.58 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.52 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 -3.64 1.76 -0.26 2.41 4.77 -0.29 -4.53 117.00 117.22 3ihf n LEU 178 Ca -0.45 0.14 0.01 0.00 -0.03 0.00 0.00 56.01 55.68 3ihf n LEU 178 Cb 0.95 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 3ihf n LEU 178 CO 0.23 0.69 0.70 -0.33 -1.33 0.00 0.00 177.39 177.34 3ihf h GLU 179 N 0.02 -0.02 -0.20 3.23 4.39 -0.95 -1.59 114.58 119.47 3ihf h GLU 179 Ca -0.45 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.31 3ihf h GLU 179 Cb 2.04 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.63 3ihf h GLU 179 CO 0.03 -0.01 -0.21 -1.35 -1.16 0.00 0.00 179.01 176.31 3ihf h PRO 180 N -0.02 -0.23 -0.57 2.33 0.11 -1.85 0.12 132.00 131.89 3ihf h PRO 180 Ca 0.35 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.59 3ihf h PRO 180 Cb 0.56 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 31.62 3ihf h PRO 180 CO -0.78 -0.15 -0.02 2.35 -0.21 0.00 0.00 178.00 179.20 3ihf h TRP 181 N -0.24 -0.07 -0.60 0.65 7.01 -1.67 -1.97 115.95 119.06 3ihf h TRP 181 Ca 0.12 0.04 -0.10 0.00 2.11 0.00 0.00 58.89 61.07 3ihf h TRP 181 Cb 0.42 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.58 3ihf h TRP 181 CO -0.35 -0.16 0.00 0.82 -2.79 0.00 0.00 178.44 175.96 3ihf h ILE 182 N 0.10 1.26 -0.27 2.65 2.04 -0.83 0.35 117.51 122.81 3ihf h ILE 182 Ca 0.29 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 3ihf h ILE 182 Cb 0.46 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3ihf h ILE 182 CO -0.50 0.42 -0.06 1.56 0.00 0.00 0.00 178.15 179.57 3ihf h GLN 183 N 0.97 0.52 -0.11 2.37 1.08 -0.59 0.22 115.11 119.58 3ihf h GLN 183 Ca 0.17 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 3ihf h GLN 183 Cb 0.55 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3ihf h GLN 183 CO 0.03 0.72 -0.23 1.05 -0.95 0.00 0.00 178.83 179.45 3ihf h GLU 184 N 0.28 0.19 -1.02 1.46 4.11 -1.17 -3.29 114.58 115.15 3ihf h GLU 184 Ca 0.07 -0.06 -0.42 0.00 0.07 0.00 0.00 59.36 59.02 3ihf h GLU 184 Cb 0.53 -0.02 -0.24 0.00 0.50 0.00 0.00 28.75 29.51 3ihf h GLU 184 CO 0.03 0.42 0.54 0.09 0.07 0.00 0.00 179.01 180.15 3ihf n ASN 185 N -4.19 3.98 0.00 3.06 3.02 0.12 -4.76 115.26 116.49 3ihf n ASN 185 Ca -0.01 -3.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.25 3ihf n ASN 185 Cb 0.34 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.75 0.83 2.89 7.41 0.00 -1.21 -4.89 105.19 109.47 3ihf n GLY 186 Ca 0.47 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.30 -1.65 0.23 -0.02 0.00 0.76 -3.14 105.19 99.07 3ihf n GLY 187 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.01 0.07 -0.97 1.61 4.06 -1.90 -2.69 115.95 115.12 3ihf h TRP 188 Ca 0.02 -0.01 0.23 0.00 2.06 0.00 0.00 58.89 61.19 3ihf h TRP 188 Cb 0.99 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 29.05 3ihf h TRP 188 CO 0.00 0.24 0.63 0.22 -3.56 0.00 0.00 178.44 175.97 3ihf h ASP 189 N 0.06 0.45 0.14 -3.49 3.58 -1.71 -0.62 116.42 114.83 3ihf h ASP 189 Ca 0.01 0.06 -0.22 0.00 0.42 0.00 0.00 57.03 57.30 3ihf h ASP 189 Cb 0.34 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.38 3ihf h ASP 189 CO 0.02 0.15 -0.87 0.74 -2.88 0.00 0.00 179.24 176.40 3ihf h THR 190 N 0.43 1.34 -0.53 2.25 2.02 -1.42 -3.05 112.91 113.96 3ihf h THR 190 Ca 0.53 -2.22 0.08 0.00 0.77 0.00 0.00 66.41 65.57 3ihf h THR 190 Cb 1.29 2.23 -0.06 0.00 -1.74 0.00 0.00 68.15 69.86 3ihf h THR 190 CO -0.24 0.68 0.17 0.15 0.37 0.00 0.00 175.52 176.65 3ihf h PHE 191 N 0.35 0.29 -0.74 3.16 3.57 -1.21 -1.70 116.94 120.66 3ihf h PHE 191 Ca -0.07 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.56 3ihf h PHE 191 Cb 1.49 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.13 3ihf h PHE 191 CO 0.07 0.07 0.49 0.28 -2.23 0.00 0.00 178.31 176.99 3ihf h VAL 192 N 0.34 0.90 -0.15 1.41 2.07 -1.26 -0.83 116.25 118.72 3ihf h VAL 192 Ca 0.26 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.41 3ihf h VAL 192 Cb 0.31 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3ihf h VAL 192 CO -0.28 0.11 -0.60 0.44 0.02 0.00 0.00 177.57 177.26 3ihf h ASP 193 N 0.59 0.58 0.39 0.57 3.32 -1.22 0.45 116.42 121.10 3ihf h ASP 193 Ca 0.35 -0.33 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3ihf h ASP 193 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3ihf h ASP 193 CO -0.12 1.04 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.61 3ihf h LEU 194 N 0.38 0.36 -0.63 1.55 3.38 -1.12 -3.41 115.31 115.82 3ihf h LEU 194 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ihf h LEU 194 Cb 1.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3ihf h LEU 194 CO 0.11 0.99 0.00 -1.22 0.09 0.00 0.00 178.44 178.41 3ihf n TYR 195 N -3.78 0.00 1.76 1.13 4.02 -0.34 -5.12 117.16 114.82 3ihf n TYR 195 Ca -0.04 -0.01 0.15 0.00 -0.01 0.00 0.00 57.90 57.99 3ihf n TYR 195 Cb 0.72 -0.00 0.75 0.00 -0.02 0.00 0.00 39.34 40.79 3ihf n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26