#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rie n MET 71 N 0.00 3.57 0.10 0.00 2.00 -1.26 -4.76 117.12 116.77 1rie n MET 71 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.67 1rie n MET 71 Cb 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 33.22 32.82 1rie n MET 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1rie h SER 72 N 0.00 0.00 -4.44 7.83 0.87 -2.01 -3.40 113.55 112.39 1rie h SER 72 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 1rie h SER 72 Cb 0.00 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 61.67 1rie h SER 72 CO 0.00 0.77 -0.87 -0.54 -0.53 0.00 0.00 176.83 175.66 1rie s LYS 73 N -3.09 1.81 -0.04 2.24 1.02 -1.26 -4.65 119.74 115.76 1rie s LYS 73 Ca 0.01 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.15 1rie s LYS 73 Cb 0.11 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1rie s LYS 73 CO 0.78 0.49 -0.23 -1.50 -0.92 0.00 0.00 175.35 173.97 1rie s ILE 74 N -0.64 1.84 -0.25 2.17 2.07 -0.52 -4.98 121.20 120.90 1rie s ILE 74 Ca 0.09 -0.96 -0.04 0.00 -1.41 0.00 0.00 60.65 58.33 1rie s ILE 74 Cb -0.09 -1.55 0.01 0.00 0.13 0.00 0.00 42.46 40.95 1rie s ILE 74 CO 0.00 0.52 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.92 1rie s GLU 75 N -0.25 3.14 -0.14 3.50 2.02 -1.26 -0.97 118.70 124.74 1rie s GLU 75 Ca 0.01 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1rie s GLU 75 Cb -0.12 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1rie s GLU 75 CO 0.02 -0.32 -0.10 0.42 0.02 0.00 0.00 175.26 175.30 1rie s ILE 76 N 1.44 3.34 -0.45 -1.63 1.01 -0.06 -4.98 121.20 119.87 1rie s ILE 76 Ca 0.03 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1rie s ILE 76 Cb -0.16 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1rie s ILE 76 CO -0.02 0.51 0.99 -0.75 0.00 0.00 0.00 174.94 175.67 1rie s LYS 77 N 0.40 3.66 0.24 2.79 2.20 -1.26 -1.72 119.74 126.04 1rie s LYS 77 Ca -0.08 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1rie s LYS 77 Cb -0.15 -3.89 0.25 0.00 -1.51 0.00 0.00 37.83 32.52 1rie s LYS 77 CO 0.04 -1.21 1.84 -0.07 -0.36 0.00 0.00 175.35 175.59 1rie h LEU 78 N 10.66 1.06 -1.37 5.43 3.38 0.58 -2.88 115.31 132.17 1rie h LEU 78 Ca -0.23 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1rie h LEU 78 Cb 1.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1rie h LEU 78 CO 1.05 0.89 0.00 -1.54 0.09 0.00 0.00 178.44 178.92 1rie n SER 79 N -4.31 0.60 0.08 -0.43 3.41 -1.26 -1.19 113.62 110.52 1rie n SER 79 Ca 0.08 0.76 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 1rie n SER 79 Cb 0.13 -0.84 0.41 0.00 -0.26 0.00 0.00 64.21 63.65 1rie n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rie n ASP 80 N -2.28 0.66 -4.20 4.04 8.00 -1.09 -4.59 116.55 117.10 1rie n ASP 80 Ca -0.01 0.49 -0.39 0.00 0.71 0.00 0.00 54.79 55.59 1rie n ASP 80 Cb 0.06 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.45 1rie n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rie s ILE 81 N -3.09 3.91 0.83 0.53 1.01 -0.33 -5.09 121.20 118.96 1rie s ILE 81 Ca 0.11 -1.77 -0.11 0.00 0.00 0.00 0.00 60.65 58.88 1rie s ILE 81 Cb 0.14 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 39.14 1rie s ILE 81 CO 0.60 -0.67 1.09 -2.16 0.00 0.00 0.00 174.94 173.80 1rie s PRO 82 N 1.31 1.84 0.21 2.79 0.04 -1.26 -4.78 135.00 135.14 1rie s PRO 82 Ca 0.05 0.93 -0.32 0.00 0.04 0.00 0.00 61.00 61.70 1rie s PRO 82 Cb -0.24 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 1rie s PRO 82 CO -0.01 -1.87 1.48 0.39 0.04 0.00 0.00 177.00 177.03 1rie n GLU 83 N -3.64 2.08 -0.01 4.56 1.02 -1.26 -1.70 120.64 121.68 1rie n GLU 83 Ca 0.08 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 1rie n GLU 83 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1rie n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rie n GLY 84 N 2.64 1.29 3.83 0.62 0.00 0.64 -5.00 105.19 109.21 1rie n GLY 84 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1rie n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rie s LYS 85 N -0.56 3.80 -0.37 1.61 2.20 -0.69 -4.91 119.74 120.82 1rie s LYS 85 Ca 0.00 0.13 -0.10 0.00 -0.36 0.00 0.00 55.97 55.64 1rie s LYS 85 Cb 0.00 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1rie s LYS 85 CO 0.00 0.63 0.19 1.21 -0.36 0.00 0.00 175.35 177.02 1rie s ASN 86 N -0.74 5.65 -0.19 1.43 2.47 -1.26 -1.17 114.94 121.13 1rie s ASN 86 Ca 0.19 -1.06 -0.09 0.00 0.42 0.00 0.00 52.86 52.31 1rie s ASN 86 Cb -0.14 -1.99 -0.05 0.00 -1.45 0.00 0.00 41.25 37.62 1rie s ASN 86 CO 0.08 -0.39 0.12 -0.32 -3.72 0.00 0.00 177.10 172.87 1rie s MET 87 N 1.52 4.09 -0.10 0.43 -2.45 0.03 -4.95 119.30 117.87 1rie s MET 87 Ca 0.01 -0.23 -0.03 0.00 -1.25 0.00 0.00 55.69 54.20 1rie s MET 87 Cb -0.19 -3.37 -0.03 0.00 1.25 0.00 0.00 34.83 32.48 1rie s MET 87 CO 0.06 0.34 0.02 0.00 1.05 0.00 0.00 175.02 176.49 1rie s ALA 88 N 0.23 3.36 0.32 4.11 0.00 -1.26 -0.93 121.76 127.60 1rie s ALA 88 Ca 0.08 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1rie s ALA 88 Cb -0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1rie s ALA 88 CO -0.01 0.56 0.08 -0.06 0.00 0.00 0.00 175.76 176.33 1rie s PHE 89 N -0.80 1.80 -0.18 0.00 0.40 0.37 -4.95 117.98 114.62 1rie s PHE 89 Ca 0.12 -1.09 -0.04 0.00 -0.60 0.00 0.00 56.93 55.32 1rie s PHE 89 Cb -0.12 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1rie s PHE 89 CO 0.02 -0.16 -0.03 0.21 0.70 0.00 0.00 175.22 175.97 1rie s LYS 90 N -3.90 3.59 -0.10 0.44 2.20 -1.26 -0.58 119.74 120.13 1rie s LYS 90 Ca 0.35 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.37 1rie s LYS 90 Cb 0.07 -2.99 0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1rie s LYS 90 CO 0.15 0.07 0.21 -0.46 -0.36 0.00 0.00 175.35 174.96 1rie s TRP 91 N 0.82 -0.28 -1.47 4.03 -0.00 -0.07 -4.86 118.94 117.11 1rie s TRP 91 Ca -0.01 0.73 -0.07 0.00 -0.00 0.00 0.00 56.10 56.75 1rie s TRP 91 Cb -0.14 -0.09 0.03 0.00 -0.00 0.00 0.00 33.47 33.26 1rie s TRP 91 CO 0.02 -0.27 0.68 0.54 -0.00 0.00 0.00 176.95 177.92 1rie n ARG 92 N 4.86 -4.93 -0.98 5.86 1.74 -1.26 -1.69 116.66 120.26 1rie n ARG 92 Ca -0.14 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1rie n ARG 92 Cb 0.51 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 1rie n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rie n GLY 93 N -1.51 0.52 3.22 -0.13 0.00 -1.26 -5.02 105.19 101.01 1rie n GLY 93 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1rie n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rie s LYS 94 N -0.27 1.05 0.39 1.61 -0.14 -0.68 -5.13 119.74 116.58 1rie s LYS 94 Ca 0.00 -1.50 -0.26 0.00 -1.36 0.00 0.00 55.97 52.85 1rie s LYS 94 Cb 0.00 -0.17 -0.09 0.00 -1.68 0.00 0.00 37.83 35.89 1rie s LYS 94 CO 0.00 -0.14 1.24 -2.14 -0.76 0.00 0.00 175.35 173.55 1rie s PRO 95 N -3.93 4.05 -0.12 -1.68 0.02 -1.26 -0.89 135.00 131.19 1rie s PRO 95 Ca 0.23 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1rie s PRO 95 Cb 0.06 -2.76 0.02 0.00 0.02 0.00 0.00 34.50 31.84 1rie s PRO 95 CO 0.03 -0.38 -0.10 -1.17 -0.33 0.00 0.00 177.00 175.05 1rie s LEU 96 N -2.38 1.35 -0.19 -5.54 2.96 0.26 -0.61 118.68 114.52 1rie s LEU 96 Ca 0.56 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.03 1rie s LEU 96 Cb -0.35 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 1rie s LEU 96 CO 0.45 -0.09 0.12 -0.36 -1.32 0.00 0.00 176.35 175.15 1rie s PHE 97 N 1.53 3.39 -0.25 5.38 0.08 0.35 -0.48 117.98 127.99 1rie s PHE 97 Ca 0.03 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.39 1rie s PHE 97 Cb -0.13 -2.14 0.06 0.00 -0.57 0.00 0.00 43.02 40.24 1rie s PHE 97 CO -0.07 0.28 -0.06 0.08 -0.10 0.00 0.00 175.22 175.35 1rie s VAL 98 N 0.32 1.77 -0.12 -0.44 1.01 -0.10 -1.29 120.40 121.54 1rie s VAL 98 Ca 0.08 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1rie s VAL 98 Cb -0.11 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1rie s VAL 98 CO -0.02 -0.13 -0.19 -0.60 0.00 0.00 0.00 175.10 174.17 1rie s ARG 99 N 1.27 3.20 -0.42 2.72 3.52 -0.26 -0.79 118.95 128.19 1rie s ARG 99 Ca -0.05 -0.79 -0.23 0.00 -0.13 0.00 0.00 55.73 54.53 1rie s ARG 99 Cb -0.19 -2.48 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1rie s ARG 99 CO -0.06 0.16 0.76 -1.58 -0.81 0.00 0.00 175.30 173.77 1rie s HIS 100 N 0.43 3.04 0.16 5.12 5.65 -0.32 -1.31 115.29 128.07 1rie s HIS 100 Ca -0.13 0.26 -0.09 0.00 0.25 0.00 0.00 55.06 55.34 1rie s HIS 100 Cb -0.17 -3.54 -0.06 0.00 -1.18 0.00 0.00 32.58 27.63 1rie s HIS 100 CO 0.06 -0.89 0.47 1.03 -0.65 0.00 0.00 174.74 174.77 1rie s ARG 101 N 3.17 3.77 0.62 2.88 0.52 0.95 -0.26 118.95 130.61 1rie s ARG 101 Ca 0.29 0.20 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1rie s ARG 101 Cb -0.13 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.55 1rie s ARG 101 CO 0.20 0.43 0.92 0.95 0.02 0.00 0.00 175.30 177.83 1rie s THR 102 N -1.63 3.15 0.26 0.02 -4.23 -1.26 -4.69 115.64 107.25 1rie s THR 102 Ca 0.41 -0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 1rie s THR 102 Cb -0.13 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.65 1rie s THR 102 CO 0.21 -0.28 1.88 0.50 -0.54 0.00 0.00 174.62 176.38 1rie h LYS 103 N -0.29 1.15 -0.32 3.99 3.64 -1.98 -1.25 116.57 121.50 1rie h LYS 103 Ca -0.45 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1rie h LYS 103 Cb 1.28 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1rie h LYS 103 CO 0.60 0.85 0.20 -0.22 -2.27 0.00 0.00 179.45 178.60 1rie h LYS 104 N 1.15 0.39 -0.40 1.90 3.64 -1.99 -0.24 116.57 121.02 1rie h LYS 104 Ca 0.29 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1rie h LYS 104 Cb 0.04 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1rie h LYS 104 CO -0.04 0.26 0.20 0.93 -2.27 0.00 0.00 179.45 178.53 1rie h GLU 105 N 0.41 0.57 -0.09 1.90 5.08 -1.80 -0.26 114.58 120.39 1rie h GLU 105 Ca 0.12 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1rie h GLU 105 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1rie h GLU 105 CO -0.04 0.49 -0.06 0.82 -1.00 0.00 0.00 179.01 179.22 1rie h ILE 106 N 0.51 0.81 -0.68 3.13 2.04 -0.91 -0.59 117.51 121.81 1rie h ILE 106 Ca 0.14 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 1rie h ILE 106 Cb 0.10 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1rie h ILE 106 CO -0.02 0.00 0.12 0.44 0.00 0.00 0.00 178.15 178.69 1rie h ASP 107 N -0.07 1.08 -0.71 1.72 3.32 -0.87 -1.83 116.42 119.08 1rie h ASP 107 Ca 0.06 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1rie h ASP 107 Cb 0.15 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1rie h ASP 107 CO -0.14 1.07 0.38 -0.61 -1.72 0.00 0.00 179.24 178.22 1rie h GLN 108 N 1.06 0.99 -0.03 3.56 4.15 -0.72 -1.93 115.11 122.19 1rie h GLN 108 Ca 0.21 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.42 1rie h GLN 108 Cb 0.44 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1rie h GLN 108 CO 0.01 0.75 -0.36 0.93 -1.93 0.00 0.00 178.83 178.23 1rie h GLU 109 N 0.98 0.06 0.00 1.69 4.39 -0.79 -2.38 114.58 118.52 1rie h GLU 109 Ca 0.25 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1rie h GLU 109 Cb 0.05 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1rie h GLU 109 CO -0.04 0.42 -0.22 0.00 -1.16 0.00 0.00 179.01 178.01 1rie h ALA 110 N 1.58 1.02 -0.00 3.43 0.00 -0.75 -3.05 119.26 121.50 1rie h ALA 110 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rie h ALA 110 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rie h ALA 110 CO 0.05 0.27 -0.19 0.00 0.00 0.00 0.00 179.25 179.38 1rie n ALA 111 N -2.22 2.83 -1.86 0.00 0.00 -0.78 -4.91 120.51 113.57 1rie n ALA 111 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1rie n ALA 111 Cb 0.43 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1rie n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rie s VAL 112 N -2.90 2.42 -0.72 0.00 1.01 -1.15 -4.92 120.40 114.14 1rie s VAL 112 Ca 0.16 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 1rie s VAL 112 Cb 0.19 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1rie s VAL 112 CO 0.58 0.03 1.23 -0.70 0.00 0.00 0.00 175.10 176.24 1rie s GLU 113 N 0.82 3.21 0.41 2.72 -6.30 -1.26 -4.90 118.70 113.40 1rie s GLU 113 Ca 0.69 -0.27 0.09 0.00 -2.50 0.00 0.00 54.97 52.98 1rie s GLU 113 Cb -0.45 -4.17 0.90 0.00 0.00 0.00 0.00 34.13 30.40 1rie s GLU 113 CO 0.34 -2.07 2.04 0.28 0.02 0.00 0.00 175.26 175.87 1rie h VAL 114 N 6.03 1.05 0.00 3.70 2.07 -1.92 -2.94 116.25 124.25 1rie h VAL 114 Ca -0.28 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1rie h VAL 114 Cb 1.05 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1rie h VAL 114 CO 1.26 0.10 0.00 0.77 0.02 0.00 0.00 177.57 179.72 1rie h SER 115 N 0.53 0.00 0.56 0.57 4.64 -1.98 -1.66 113.55 116.21 1rie h SER 115 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1rie h SER 115 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1rie h SER 115 CO -0.05 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 175.60 1rie n GLN 116 N -2.95 0.18 -2.42 4.77 1.13 -1.11 -4.92 117.38 112.06 1rie n GLN 116 Ca -0.01 -0.09 -0.37 0.00 -1.94 0.00 0.00 57.00 54.59 1rie n GLN 116 Cb 0.16 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 1rie n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1rie s LEU 117 N -2.88 4.12 0.22 1.08 1.43 -0.62 -4.96 118.68 117.07 1rie s LEU 117 Ca 0.15 2.17 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1rie s LEU 117 Cb 0.18 -4.16 0.20 0.00 0.03 0.00 0.00 46.19 42.45 1rie s LEU 117 CO 0.61 -0.63 1.64 -0.09 0.23 0.00 0.00 176.35 178.11 1rie h ARG 118 N 2.43 0.76 -2.88 1.70 2.43 -1.89 -3.33 114.38 113.61 1rie h ARG 118 Ca -0.49 -0.30 -0.61 0.00 -0.81 0.00 0.00 59.98 57.77 1rie h ARG 118 Cb 1.23 -0.04 -0.40 0.00 -0.42 0.00 0.00 29.97 30.34 1rie h ARG 118 CO 0.62 0.91 -0.73 0.34 -1.51 0.00 0.00 179.97 179.60 1rie s ASP 119 N -6.75 3.58 0.03 -3.80 2.15 -1.26 -5.03 116.67 105.59 1rie s ASP 119 Ca -0.09 -3.30 -0.30 0.00 0.43 0.00 0.00 52.55 49.28 1rie s ASP 119 Cb 0.13 -1.16 -0.08 0.00 -0.30 0.00 0.00 42.92 41.51 1rie s ASP 119 CO 0.83 -0.16 1.74 -2.16 -0.17 0.00 0.00 175.17 175.25 1rie s PRO 120 N -0.55 4.18 -0.25 4.34 0.04 -1.25 -4.82 135.00 136.69 1rie s PRO 120 Ca 0.25 2.37 -0.24 0.00 0.04 0.00 0.00 61.00 63.43 1rie s PRO 120 Cb -0.08 -3.83 0.07 0.00 0.04 0.00 0.00 34.50 30.70 1rie s PRO 120 CO -0.13 -0.82 0.68 -0.65 0.04 0.00 0.00 177.00 176.12 1rie s GLN 121 N 3.44 0.80 0.51 4.56 -0.21 -1.26 -5.13 119.66 122.37 1rie s GLN 121 Ca 0.77 0.92 -0.18 0.00 0.02 0.00 0.00 55.36 56.90 1rie s GLN 121 Cb -0.39 0.39 -0.08 0.00 1.00 0.00 0.00 33.01 33.93 1rie s GLN 121 CO 0.34 -0.10 0.99 -1.58 -2.12 0.00 0.00 175.29 172.82 1rie s HIS 122 N 0.31 3.31 0.39 0.91 5.65 -1.26 -4.95 115.29 119.66 1rie s HIS 122 Ca -0.00 1.51 0.07 0.00 0.25 0.00 0.00 55.06 56.89 1rie s HIS 122 Cb -0.05 -2.86 0.83 0.00 -1.18 0.00 0.00 32.58 29.33 1rie s HIS 122 CO 0.01 -0.47 2.01 0.22 -0.65 0.00 0.00 174.74 175.86 1rie h ASP 123 N 1.09 0.54 0.20 9.88 3.58 -1.96 -2.43 116.42 127.31 1rie h ASP 123 Ca -0.47 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1rie h ASP 123 Cb 1.19 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1rie h ASP 123 CO 0.61 0.37 0.00 0.18 -2.88 0.00 0.00 179.24 177.51 1rie n LEU 124 N -4.47 0.00 -0.96 2.28 4.77 -1.26 -1.49 117.00 115.86 1rie n LEU 124 Ca 0.07 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.26 1rie n LEU 124 Cb 0.16 -0.13 0.20 0.00 -2.33 0.00 0.00 43.42 41.32 1rie n LEU 124 CO 0.35 -0.03 0.66 -1.84 -1.33 0.00 0.00 177.39 175.20 1rie n GLU 125 N -1.13 2.43 0.00 3.23 0.28 -0.92 -4.36 120.64 120.18 1rie n GLU 125 Ca 0.16 -2.17 0.02 0.00 -0.16 0.00 0.00 57.16 55.01 1rie n GLU 125 Cb 0.13 -1.42 -0.01 0.00 1.43 0.00 0.00 31.44 31.57 1rie n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1rie n ARG 126 N 1.13 4.11 -4.10 3.44 1.74 -0.56 -5.01 116.66 117.42 1rie n ARG 126 Ca 0.17 -0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 1rie n ARG 126 Cb 0.52 -0.81 -0.11 0.00 -1.02 0.00 0.00 32.46 31.04 1rie n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1rie s VAL 127 N -1.19 0.53 -0.23 1.55 -7.23 -1.15 -4.74 120.40 107.94 1rie s VAL 127 Ca 0.03 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1rie s VAL 127 Cb 0.04 -1.07 -0.19 0.00 0.56 0.00 0.00 36.38 35.72 1rie s VAL 127 CO 0.16 -0.64 -0.09 0.29 -0.31 0.00 0.00 175.10 174.52 1rie n LYS 128 N 0.78 0.66 -4.67 4.82 5.02 -1.26 -4.83 118.16 118.68 1rie n LYS 128 Ca -0.18 0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1rie n LYS 128 Cb 0.58 -1.57 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1rie n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rie s LYS 129 N -2.52 3.17 0.39 1.97 1.02 -1.26 -5.03 119.74 117.48 1rie s LYS 129 Ca -0.32 -0.78 0.15 0.00 0.02 0.00 0.00 55.97 55.04 1rie s LYS 129 Cb 0.09 -2.55 1.01 0.00 -0.52 0.00 0.00 37.83 35.86 1rie s LYS 129 CO 0.62 0.05 1.84 -1.35 -0.92 0.00 0.00 175.35 175.59 1rie h PRO 130 N 7.17 0.47 0.00 -1.68 0.11 -1.99 -1.89 132.00 134.19 1rie h PRO 130 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1rie h PRO 130 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rie h PRO 130 CO 0.55 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 177.80 1rie n GLU 131 N -4.56 0.93 -3.89 1.05 0.00 -1.26 -4.72 120.64 108.19 1rie n GLU 131 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 57.13 1rie n GLU 131 Cb 0.67 -1.41 -0.17 0.00 0.00 0.00 0.00 31.44 30.53 1rie n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1rie s TRP 132 N -2.00 0.92 -0.15 -1.84 0.52 -0.71 -0.04 118.94 115.64 1rie s TRP 132 Ca 0.37 -0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.14 1rie s TRP 132 Cb 0.17 -0.91 -0.01 0.00 -1.15 0.00 0.00 33.47 31.57 1rie s TRP 132 CO 0.28 -0.36 -0.11 0.54 0.02 0.00 0.00 176.95 177.32 1rie s VAL 133 N 1.71 3.10 -0.16 4.03 0.11 -0.42 -4.59 120.40 124.18 1rie s VAL 133 Ca 0.02 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1rie s VAL 133 Cb -0.13 -2.33 0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1rie s VAL 133 CO -0.05 0.50 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.39 1rie s ILE 134 N 0.65 2.11 0.03 7.04 1.01 -1.26 -1.10 121.20 129.67 1rie s ILE 134 Ca -0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1rie s ILE 134 Cb -0.15 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1rie s ILE 134 CO 0.02 0.54 -0.02 -0.76 0.00 0.00 0.00 174.94 174.73 1rie s LEU 135 N 1.01 2.25 -0.15 2.97 1.43 -0.41 -4.38 118.68 121.40 1rie s LEU 135 Ca -0.02 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 1rie s LEU 135 Cb -0.14 0.15 -0.01 0.00 0.03 0.00 0.00 46.19 46.22 1rie s LEU 135 CO -0.06 -0.36 1.06 -0.63 0.23 0.00 0.00 176.35 176.58 1rie s ILE 136 N -1.91 4.66 -1.56 -0.59 -1.09 0.01 -0.50 121.20 120.23 1rie s ILE 136 Ca -0.12 1.96 -0.09 0.00 -2.23 0.00 0.00 60.65 60.17 1rie s ILE 136 Cb -0.07 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1rie s ILE 136 CO -0.03 -0.08 2.82 0.61 -1.23 0.00 0.00 174.94 177.03 1rie n GLY 137 N 3.24 4.47 2.78 6.18 0.00 0.22 -4.40 105.19 117.68 1rie n GLY 137 Ca 0.11 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 1rie n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rie s VAL 138 N 1.44 0.51 0.25 1.61 1.01 -1.26 -4.33 120.40 119.64 1rie s VAL 138 Ca 0.66 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 1rie s VAL 138 Cb 0.18 -0.76 -0.12 0.00 0.00 0.00 0.00 36.38 35.68 1rie s VAL 138 CO -0.07 0.13 1.67 0.00 0.00 0.00 0.00 175.10 176.83 1rie n THR 140 N 3.11 0.77 0.00 0.00 -2.24 -1.26 -1.24 114.28 113.42 1rie n THR 140 Ca 0.12 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1rie n THR 140 Cb 0.36 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1rie n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rie n HIS 141 N -1.59 0.00 -1.41 4.78 -0.00 -1.26 -4.51 115.22 111.23 1rie n HIS 141 Ca 0.04 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.80 1rie n HIS 141 Cb 0.22 -0.27 0.06 0.00 -0.00 0.00 0.00 29.99 30.00 1rie n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1rie n LEU 142 N -1.31 1.12 0.00 0.27 4.77 -1.25 -4.97 117.00 115.62 1rie n LEU 142 Ca 0.00 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1rie n LEU 142 Cb 0.00 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1rie n LEU 142 CO 0.00 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1rie n GLY 143 N -0.64 0.74 3.57 -0.72 0.00 -0.37 -5.01 105.19 102.76 1rie n GLY 143 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1rie n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rie s VAL 145 N -2.98 5.30 0.30 0.00 1.01 -1.26 -0.23 120.40 122.54 1rie s VAL 145 Ca 0.71 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1rie s VAL 145 Cb -0.09 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1rie s VAL 145 CO 0.56 0.19 1.40 -2.84 0.00 0.00 0.00 175.10 174.41 1rie s PRO 146 N 1.75 4.27 -0.25 2.72 0.02 -1.26 -4.69 135.00 137.57 1rie s PRO 146 Ca 0.07 2.32 -0.13 0.00 0.02 0.00 0.00 61.00 63.28 1rie s PRO 146 Cb -0.16 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 1rie s PRO 146 CO 0.11 -0.36 0.28 0.42 -0.33 0.00 0.00 177.00 177.12 1rie s ILE 147 N -0.62 5.26 0.50 2.83 1.01 0.59 -4.81 121.20 125.96 1rie s ILE 147 Ca 0.54 0.40 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 1rie s ILE 147 Cb -0.42 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1rie s ILE 147 CO 0.50 0.25 1.24 0.00 0.00 0.00 0.00 174.94 176.94 1rie s ALA 148 N 1.54 2.89 -1.43 9.38 0.00 -1.26 -0.83 121.76 132.05 1rie s ALA 148 Ca 0.12 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1rie s ALA 148 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1rie s ALA 148 CO 0.08 -0.97 0.99 0.09 0.00 0.00 0.00 175.76 175.96 1rie n ASN 149 N -0.76 -6.22 -4.19 0.00 3.02 0.08 -4.92 115.26 102.27 1rie n ASN 149 Ca 0.09 -0.47 -0.11 0.00 -0.03 0.00 0.00 54.58 54.05 1rie n ASN 149 Cb 0.47 -4.94 -0.10 0.00 -0.61 0.00 0.00 39.78 34.60 1rie n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rie s ALA 150 N -3.27 1.06 0.00 5.41 0.00 -1.24 -4.95 121.76 118.77 1rie s ALA 150 Ca 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1rie s ALA 150 Cb -0.22 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1rie s ALA 150 CO 0.62 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1rie n GLY 151 N -0.12 0.13 0.02 0.00 0.00 -1.26 -3.31 105.19 100.64 1rie n GLY 151 Ca -0.09 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.17 1rie n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rie n ASP 152 N -0.47 0.06 -0.09 1.61 8.00 -1.26 -3.87 116.55 120.53 1rie n ASP 152 Ca 0.00 -0.33 0.09 0.00 0.71 0.00 0.00 54.79 55.26 1rie n ASP 152 Cb 0.00 -0.21 0.13 0.00 -0.02 0.00 0.00 41.12 41.01 1rie n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1rie n PHE 153 N -1.20 0.00 -2.75 1.24 3.01 -1.26 -4.98 117.46 111.52 1rie n PHE 153 Ca 0.16 -0.92 -0.18 0.00 1.01 0.00 0.00 57.45 57.52 1rie n PHE 153 Cb 0.23 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1rie n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rie n GLY 154 N -1.32 -0.50 0.00 1.37 0.00 -1.25 -4.10 105.19 99.39 1rie n GLY 154 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1rie n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rie n GLY 155 N -1.04 0.41 3.24 -0.02 0.00 -1.18 -4.25 105.19 102.35 1rie n GLY 155 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1rie n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rie s TYR 156 N 0.00 0.49 -0.04 1.61 1.51 -0.44 -0.74 117.35 119.74 1rie s TYR 156 Ca 0.00 -0.89 -0.02 0.00 -1.01 0.00 0.00 57.07 55.16 1rie s TYR 156 Cb 0.00 -0.21 0.03 0.00 -0.11 0.00 0.00 41.96 41.68 1rie s TYR 156 CO 0.00 -0.60 0.07 -0.47 -1.11 0.00 0.00 175.55 173.44 1rie s TYR 157 N -3.96 0.01 -0.39 2.71 5.04 -0.01 -0.96 117.35 119.79 1rie s TYR 157 Ca 0.16 0.28 -0.17 0.00 -2.44 0.00 0.00 57.07 54.90 1rie s TYR 157 Cb 0.05 -0.38 0.01 0.00 0.35 0.00 0.00 41.96 41.99 1rie s TYR 157 CO -0.03 -0.18 0.47 0.00 -1.34 0.00 0.00 175.55 174.47 1rie h PRO 159 N 8.62 0.00 -0.45 0.00 0.13 -1.87 -0.76 132.00 137.68 1rie h PRO 159 Ca -0.27 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1rie h PRO 159 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1rie h PRO 159 CO 0.78 0.00 0.19 0.00 -0.23 0.00 0.00 178.00 178.74 1rie n HIS 161 N -4.96 0.00 -2.61 0.00 8.25 -1.25 -5.05 115.22 109.61 1rie n HIS 161 Ca 0.03 -0.07 -0.04 0.00 -0.26 0.00 0.00 57.72 57.38 1rie n HIS 161 Cb 0.14 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.24 1rie n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rie n GLY 162 N -0.09 0.66 3.74 -1.41 0.00 -0.34 -4.55 105.19 103.20 1rie n GLY 162 Ca 0.01 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1rie n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rie s SER 163 N -3.08 7.11 -0.16 1.61 0.01 -0.93 -4.13 113.70 114.14 1rie s SER 163 Ca 0.08 1.33 -0.04 0.00 1.31 0.00 0.00 55.95 58.63 1rie s SER 163 Cb -0.03 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1rie s SER 163 CO 0.12 0.01 -0.03 -1.00 0.41 0.00 0.00 173.24 172.75 1rie s HIS 164 N 0.06 3.04 0.12 2.43 0.09 0.54 -0.76 115.29 120.82 1rie s HIS 164 Ca 0.36 -0.27 0.10 0.00 -0.00 0.00 0.00 55.06 55.25 1rie s HIS 164 Cb -0.19 -1.97 -0.04 0.00 -0.00 0.00 0.00 32.58 30.38 1rie s HIS 164 CO 0.21 -0.02 -0.23 0.71 -0.00 0.00 0.00 174.74 175.40 1rie s TYR 165 N 0.37 2.40 0.50 1.40 1.51 -0.14 -0.38 117.35 123.02 1rie s TYR 165 Ca -0.04 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.64 1rie s TYR 165 Cb -0.14 -1.29 0.11 0.00 -0.11 0.00 0.00 41.96 40.53 1rie s TYR 165 CO 0.03 0.36 0.68 -0.40 -1.11 0.00 0.00 175.55 175.11 1rie n ASP 166 N 0.88 0.43 0.00 2.29 5.68 -0.51 -1.32 116.55 124.00 1rie n ASP 166 Ca -0.17 -1.48 0.09 0.00 -0.50 0.00 0.00 54.79 52.73 1rie n ASP 166 Cb 0.53 -0.49 0.52 0.00 -1.14 0.00 0.00 41.12 40.54 1rie n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rie n ALA 167 N -3.22 2.13 1.01 2.12 0.00 -1.26 -0.58 120.51 120.70 1rie n ALA 167 Ca -0.11 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1rie n ALA 167 Cb 0.34 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1rie n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rie n SER 168 N -1.07 1.71 0.00 0.00 2.88 -1.26 -4.90 113.62 110.98 1rie n SER 168 Ca 0.12 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1rie n SER 168 Cb 0.08 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1rie n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rie n GLY 169 N 1.44 0.58 3.76 0.46 0.00 0.25 -4.90 105.19 106.79 1rie n GLY 169 Ca 0.08 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1rie n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rie s ARG 170 N -0.39 4.75 0.01 1.61 0.52 -1.26 -0.65 118.95 123.55 1rie s ARG 170 Ca 0.00 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.36 1rie s ARG 170 Cb 0.00 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1rie s ARG 170 CO 0.00 0.42 1.27 -1.50 0.02 0.00 0.00 175.30 175.52 1rie s ILE 171 N -1.33 3.95 0.00 1.52 1.10 -1.26 -1.42 121.20 123.76 1rie s ILE 171 Ca 0.44 1.35 0.00 0.00 -0.51 0.00 0.00 60.65 61.93 1rie s ILE 171 Cb -0.24 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.51 1rie s ILE 171 CO 0.30 0.04 0.00 0.54 -2.11 0.00 0.00 174.94 173.71 1rie n ARG 172 N 4.76 2.78 -3.65 3.50 5.12 0.49 -4.58 116.66 125.09 1rie n ARG 172 Ca 0.11 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 1rie n ARG 172 Cb 0.45 -0.99 -0.06 0.00 -1.16 0.00 0.00 32.46 30.70 1rie n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1rie s LYS 173 N -1.97 0.94 0.01 5.56 2.20 -1.01 -4.97 119.74 120.49 1rie s LYS 173 Ca 0.00 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1rie s LYS 173 Cb 0.00 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1rie s LYS 173 CO 0.00 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1rie n GLY 174 N 0.53 -2.67 0.16 5.54 0.00 -1.26 -0.34 105.19 107.15 1rie n GLY 174 Ca -0.19 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 43.88 1rie n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rie h PRO 175 N 0.00 0.00 -6.51 1.61 0.13 -1.81 -3.48 132.00 121.95 1rie h PRO 175 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1rie h PRO 175 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1rie h PRO 175 CO 0.00 0.00 0.52 0.00 -0.23 0.00 0.00 178.00 178.29 1rie n ALA 176 N -2.09 0.54 0.15 -0.56 0.00 -1.26 -4.91 120.51 112.38 1rie n ALA 176 Ca 0.03 0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.96 1rie n ALA 176 Cb 0.52 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 17.83 1rie n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rie h PRO 177 N 4.04 0.00 -4.69 0.00 0.13 -1.92 -3.48 132.00 126.08 1rie h PRO 177 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.44 1rie h PRO 177 Cb 1.30 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.28 1rie h PRO 177 CO 0.75 0.27 -0.68 -0.51 -0.23 0.00 0.00 178.00 177.60 1rie s LEU 178 N -6.22 2.26 0.54 1.56 1.43 -1.26 -4.62 118.68 112.37 1rie s LEU 178 Ca 0.04 -1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 51.84 1rie s LEU 178 Cb 0.07 -0.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.21 1rie s LEU 178 CO 0.73 -0.54 1.14 0.20 0.23 0.00 0.00 176.35 178.11 1rie s ASN 179 N -3.10 5.71 0.42 2.29 0.01 -1.26 -4.46 114.94 114.55 1rie s ASN 179 Ca 0.18 2.20 -0.25 0.00 -0.71 0.00 0.00 52.86 54.28 1rie s ASN 179 Cb 0.06 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 1rie s ASN 179 CO -0.00 -1.23 1.21 0.18 -1.51 0.00 0.00 177.10 175.74 1rie n LEU 180 N -1.28 3.69 -4.73 0.60 4.77 0.18 -4.89 117.00 115.34 1rie n LEU 180 Ca 0.12 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.77 1rie n LEU 180 Cb 0.51 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1rie n LEU 180 CO 0.42 -0.86 1.06 -0.70 -1.33 0.00 0.00 177.39 175.99 1rie s GLU 181 N -2.17 4.32 -0.32 3.23 2.12 -1.26 -4.87 118.70 119.75 1rie s GLU 181 Ca 0.62 2.13 -0.14 0.00 0.36 0.00 0.00 54.97 57.94 1rie s GLU 181 Cb -0.52 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1rie s GLU 181 CO 0.57 -0.39 0.29 0.08 -0.54 0.00 0.00 175.26 175.28 1rie s VAL 182 N 0.62 5.23 0.84 3.70 1.01 -1.26 -0.81 120.40 129.74 1rie s VAL 182 Ca 0.62 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1rie s VAL 182 Cb -0.38 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.38 1rie s VAL 182 CO 0.35 0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.48 1rie s PRO 183 N 1.89 1.69 0.07 2.72 0.04 -1.26 -5.00 135.00 135.16 1rie s PRO 183 Ca 0.10 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 1rie s PRO 183 Cb -0.17 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1rie s PRO 183 CO 0.11 -1.80 1.12 0.45 0.04 0.00 0.00 177.00 176.92 1rie s SER 184 N -4.33 7.19 0.21 6.66 0.15 -1.26 -4.97 113.70 117.36 1rie s SER 184 Ca 0.62 1.95 -0.22 0.00 0.70 0.00 0.00 55.95 59.00 1rie s SER 184 Cb -0.13 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1rie s SER 184 CO 0.51 -0.36 0.69 -0.72 1.20 0.00 0.00 173.24 174.56 1rie s TYR 185 N 0.75 -0.33 -0.00 3.44 -0.85 -1.26 -0.77 117.35 118.32 1rie s TYR 185 Ca 0.55 0.00 -0.20 0.00 -0.52 0.00 0.00 57.07 56.90 1rie s TYR 185 Cb -0.27 0.64 0.04 0.00 0.38 0.00 0.00 41.96 42.74 1rie s TYR 185 CO 0.30 -1.02 0.44 -1.83 -1.52 0.00 0.00 175.55 171.92 1rie s GLU 186 N -3.77 0.86 -0.22 -3.49 -1.05 -0.58 -4.99 118.70 105.45 1rie s GLU 186 Ca 0.07 -0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.56 1rie s GLU 186 Cb -0.03 0.39 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1rie s GLU 186 CO -0.02 -0.27 0.55 -0.06 0.95 0.00 0.00 175.26 176.41 1rie s PHE 187 N -1.69 3.34 -0.68 4.83 0.08 -1.26 -0.65 117.98 121.95 1rie s PHE 187 Ca -0.10 0.78 0.24 0.00 0.12 0.00 0.00 56.93 57.97 1rie s PHE 187 Cb -0.02 -2.72 0.26 0.00 -0.57 0.00 0.00 43.02 39.96 1rie s PHE 187 CO 0.03 -0.17 1.23 0.25 -0.10 0.00 0.00 175.22 176.46 1rie n THR 188 N 4.76 0.24 -3.94 0.64 -2.24 -0.67 -4.98 114.28 108.09 1rie n THR 188 Ca -0.04 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1rie n THR 188 Cb 0.50 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1rie n THR 188 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rie s SER 189 N -3.96 0.01 0.56 3.42 1.04 -1.23 -4.96 113.70 108.58 1rie s SER 189 Ca 0.06 -0.46 0.28 0.00 0.48 0.00 0.00 55.95 56.31 1rie s SER 189 Cb 0.14 0.33 1.64 0.00 0.10 0.00 0.00 66.02 68.23 1rie s SER 189 CO 0.75 -0.67 2.17 -2.24 0.98 0.00 0.00 173.24 174.23 1rie h ASP 190 N 2.00 0.00 0.00 7.02 2.03 -2.04 -3.08 116.42 122.35 1rie h ASP 190 Ca -0.25 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.94 1rie h ASP 190 Cb 1.20 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.68 1rie h ASP 190 CO 0.34 0.05 -1.97 -0.90 -1.03 0.00 0.00 179.24 175.73 1rie n ASP 191 N -3.80 0.69 -4.41 4.15 5.75 -1.26 -4.86 116.55 112.81 1rie n ASP 191 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.46 1rie n ASP 191 Cb 0.15 1.55 -0.13 0.00 -1.03 0.00 0.00 41.12 41.66 1rie n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1rie s MET 192 N -3.01 1.60 -0.04 0.11 -1.94 -1.17 0.12 119.30 114.98 1rie s MET 192 Ca -0.07 -1.25 0.03 0.00 -1.71 0.00 0.00 55.69 52.69 1rie s MET 192 Cb 0.10 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.96 1rie s MET 192 CO 0.76 0.47 -0.11 0.54 -0.01 0.00 0.00 175.02 176.67 1rie s VAL 193 N -1.04 0.98 -0.22 -6.03 0.11 -0.70 -1.67 120.40 111.84 1rie s VAL 193 Ca 0.15 -0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1rie s VAL 193 Cb -0.10 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1rie s VAL 193 CO 0.06 0.30 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.42 1rie s ILE 194 N 0.25 2.93 -0.15 7.04 1.01 0.18 -0.88 121.20 131.57 1rie s ILE 194 Ca -0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1rie s ILE 194 Cb -0.11 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1rie s ILE 194 CO 0.01 0.38 0.06 -0.69 0.00 0.00 0.00 174.94 174.69 1rie s VAL 195 N 1.39 4.76 0.00 2.92 1.01 -0.14 -1.53 120.40 128.81 1rie s VAL 195 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1rie s VAL 195 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1rie s VAL 195 CO -0.06 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.16