#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo0 s GLY 65 N 0.00 1.72 0.19 -1.23 0.00 -1.26 -4.79 107.32 101.95 1oo0 s GLY 65 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 44.72 42.99 1oo0 s GLY 65 CO 0.00 -1.24 1.57 -1.55 0.00 0.00 0.00 173.10 171.88 1oo0 n PRO 66 N -1.91 2.28 -3.82 2.90 -0.04 -1.26 -0.39 135.00 132.76 1oo0 n PRO 66 Ca 0.04 0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 63.96 1oo0 n PRO 66 Cb 0.58 -2.58 -0.13 0.00 -0.04 0.00 0.00 33.50 31.33 1oo0 n PRO 66 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1oo0 s GLN 67 N 0.60 3.46 0.61 0.54 2.00 -0.83 -4.68 119.66 121.35 1oo0 s GLN 67 Ca 0.75 -0.59 -0.17 0.00 -2.00 0.00 0.00 55.36 53.35 1oo0 s GLN 67 Cb -0.63 -3.20 -0.02 0.00 0.80 0.00 0.00 33.01 29.96 1oo0 s GLN 67 CO 0.40 -0.23 1.12 0.50 -0.50 0.00 0.00 175.29 176.58 1oo0 s ARG 68 N 1.54 3.03 0.23 1.67 3.52 -1.26 -4.51 118.95 123.17 1oo0 s ARG 68 Ca 0.06 1.47 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 1oo0 s ARG 68 Cb -0.15 -1.97 0.04 0.00 -1.56 0.00 0.00 34.95 31.31 1oo0 s ARG 68 CO 0.01 -1.08 0.31 0.43 -0.81 0.00 0.00 175.30 174.16 1oo0 n SER 69 N -1.97 0.63 -0.01 -2.12 7.64 0.12 -4.99 113.62 112.92 1oo0 n SER 69 Ca 0.11 -1.49 -0.11 0.00 1.01 0.00 0.00 58.87 58.39 1oo0 n SER 69 Cb 0.52 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1oo0 n SER 69 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1oo0 h VAL 70 N -0.17 0.20 -0.63 0.44 2.07 -2.03 -3.25 116.25 112.88 1oo0 h VAL 70 Ca -0.10 0.00 -0.44 0.00 0.82 0.00 0.00 66.70 66.97 1oo0 h VAL 70 Cb 0.44 0.20 -0.40 0.00 -1.52 0.00 0.00 31.29 30.01 1oo0 h VAL 70 CO 0.13 0.00 -0.88 -0.62 0.02 0.00 0.00 177.57 176.23 1oo0 n GLU 71 N -5.42 3.02 -3.69 1.57 1.02 -1.26 -5.09 120.64 110.78 1oo0 n GLU 71 Ca -0.03 -3.94 0.00 0.00 -0.02 0.00 0.00 57.16 53.17 1oo0 n GLU 71 Cb 0.35 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1oo0 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oo0 n GLY 72 N -0.69 -1.62 3.11 0.62 0.00 -1.23 -4.80 105.19 100.59 1oo0 n GLY 72 Ca 0.34 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1oo0 n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oo0 s TRP 73 N -2.74 2.01 -0.13 1.61 0.52 0.09 0.13 118.94 120.43 1oo0 s TRP 73 Ca 0.00 -0.81 -0.01 0.00 0.02 0.00 0.00 56.10 55.30 1oo0 s TRP 73 Cb 0.00 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 30.90 1oo0 s TRP 73 CO 0.00 -0.37 -0.09 0.42 0.02 0.00 0.00 176.95 176.94 1oo0 s ILE 74 N 0.56 3.44 0.10 2.03 1.01 -1.26 -0.65 121.20 126.43 1oo0 s ILE 74 Ca -0.15 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1oo0 s ILE 74 Cb -0.17 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1oo0 s ILE 74 CO 0.05 0.52 0.12 -0.76 0.00 0.00 0.00 174.94 174.87 1oo0 s LEU 75 N 0.18 3.89 -0.25 2.97 1.43 0.25 -1.12 118.68 126.03 1oo0 s LEU 75 Ca -0.05 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1oo0 s LEU 75 Cb -0.14 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1oo0 s LEU 75 CO 0.04 0.14 -0.01 0.12 0.23 0.00 0.00 176.35 176.87 1oo0 s PHE 76 N -1.51 3.05 -0.18 0.29 5.36 0.75 -1.22 117.98 124.53 1oo0 s PHE 76 Ca 0.31 -1.10 -0.07 0.00 -0.96 0.00 0.00 56.93 55.11 1oo0 s PHE 76 Cb -0.12 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1oo0 s PHE 76 CO 0.23 -0.60 0.05 0.08 -1.46 0.00 0.00 175.22 173.52 1oo0 s VAL 77 N 1.45 4.67 0.31 3.12 1.01 0.81 -1.69 120.40 130.08 1oo0 s VAL 77 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1oo0 s VAL 77 Cb -0.16 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1oo0 s VAL 77 CO -0.02 0.47 0.05 0.42 0.00 0.00 0.00 175.10 176.02 1oo0 s THR 78 N 0.33 1.18 -1.25 3.92 -4.23 -0.46 -0.48 115.64 114.64 1oo0 s THR 78 Ca 0.02 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 1oo0 s THR 78 Cb -0.13 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.98 1oo0 s THR 78 CO 0.00 -0.04 1.08 -0.24 -0.54 0.00 0.00 174.62 174.88 1oo0 n SER 79 N -0.65 -4.43 -4.73 3.99 2.88 -0.87 -1.50 113.62 108.30 1oo0 n SER 79 Ca -0.02 -0.56 -0.38 0.00 -1.33 0.00 0.00 58.87 56.57 1oo0 n SER 79 Cb 0.66 -4.95 -0.06 0.00 -0.75 0.00 0.00 64.21 59.11 1oo0 n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1oo0 s ILE 80 N -3.33 5.12 0.24 2.46 1.01 -0.87 -4.11 121.20 121.72 1oo0 s ILE 80 Ca 0.32 1.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.76 1oo0 s ILE 80 Cb -0.14 -3.87 -0.15 0.00 0.01 0.00 0.00 42.46 38.31 1oo0 s ILE 80 CO 0.71 0.34 1.01 1.57 0.00 0.00 0.00 174.94 178.56 1oo0 n HIS 81 N 3.47 1.10 0.27 3.97 -0.00 -1.26 -4.34 115.22 118.42 1oo0 n HIS 81 Ca -0.06 0.72 0.13 0.00 -0.00 0.00 0.00 57.72 58.51 1oo0 n HIS 81 Cb 0.51 -2.23 0.76 0.00 -0.00 0.00 0.00 29.99 29.04 1oo0 n HIS 81 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1oo0 h GLU 82 N 2.33 0.00 -0.10 1.57 4.11 -1.96 -1.76 114.58 118.78 1oo0 h GLU 82 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1oo0 h GLU 82 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1oo0 h GLU 82 CO 0.63 0.09 0.00 0.39 0.07 0.00 0.00 179.01 180.19 1oo0 n GLU 83 N -3.75 1.79 -2.22 1.06 1.02 -1.26 -0.99 120.64 116.28 1oo0 n GLU 83 Ca -0.02 -1.16 -0.33 0.00 -0.02 0.00 0.00 57.16 55.62 1oo0 n GLU 83 Cb 0.20 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1oo0 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oo0 s ALA 84 N -1.89 2.76 0.43 0.62 0.00 -0.66 -4.96 121.76 118.06 1oo0 s ALA 84 Ca 0.35 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.88 1oo0 s ALA 84 Cb 0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1oo0 s ALA 84 CO 0.30 -0.67 0.14 1.04 0.00 0.00 0.00 175.76 176.57 1oo0 n GLN 85 N -1.60 0.58 -0.25 0.00 6.02 -1.26 -4.49 117.38 116.37 1oo0 n GLN 85 Ca 0.09 -3.60 0.17 0.00 -0.01 0.00 0.00 57.00 53.65 1oo0 n GLN 85 Cb 0.52 1.86 0.47 0.00 1.02 0.00 0.00 30.24 34.11 1oo0 n GLN 85 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1oo0 h GLU 86 N 0.00 0.48 -0.33 -1.09 4.81 -1.96 -0.58 114.58 115.91 1oo0 h GLU 86 Ca -0.34 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1oo0 h GLU 86 Cb 1.26 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 1oo0 h GLU 86 CO 0.54 0.32 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.45 1oo0 h ASP 87 N 0.50 -0.82 -0.64 1.04 3.32 -1.99 0.11 116.42 117.93 1oo0 h ASP 87 Ca 0.47 0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.77 1oo0 h ASP 87 Cb 1.04 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 40.91 1oo0 h ASP 87 CO -0.20 -0.28 0.27 -0.33 -1.72 0.00 0.00 179.24 176.98 1oo0 h GLU 88 N -0.22 0.45 -0.20 3.56 3.07 -1.49 0.16 114.58 119.91 1oo0 h GLU 88 Ca 0.16 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1oo0 h GLU 88 Cb 0.47 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1oo0 h GLU 88 CO -0.45 0.30 0.01 0.82 -1.40 0.00 0.00 179.01 178.29 1oo0 h ILE 89 N 0.47 1.25 0.15 3.13 1.08 -1.16 -2.70 117.51 119.73 1oo0 h ILE 89 Ca 0.32 -0.84 0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1oo0 h ILE 89 Cb 0.38 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1oo0 h ILE 89 CO -0.30 0.26 -0.21 1.56 -0.69 0.00 0.00 178.15 178.77 1oo0 h GLN 90 N 0.12 -0.41 -0.86 2.37 1.08 -0.42 -0.51 115.11 116.48 1oo0 h GLN 90 Ca 0.06 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.45 1oo0 h GLN 90 Cb 0.37 0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 27.80 1oo0 h GLN 90 CO 0.01 -0.27 0.44 0.93 -0.95 0.00 0.00 178.83 178.99 1oo0 h GLU 91 N -0.42 0.58 0.10 1.46 3.07 -0.67 -0.91 114.58 117.79 1oo0 h GLU 91 Ca 0.02 -0.03 -0.26 0.00 -0.50 0.00 0.00 59.36 58.58 1oo0 h GLU 91 Cb 0.42 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1oo0 h GLU 91 CO -0.09 0.38 -1.20 0.87 -1.40 0.00 0.00 179.01 177.57 1oo0 h LYS 92 N 0.60 0.21 0.00 2.33 1.79 -1.17 -3.40 116.57 116.93 1oo0 h LYS 92 Ca 0.48 -0.36 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 1oo0 h LYS 92 Cb 0.73 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 1oo0 h LYS 92 CO -0.39 1.17 -1.71 1.19 -1.08 0.00 0.00 179.45 178.63 1oo0 n PHE 93 N -3.49 0.59 -0.14 -1.35 3.01 -0.23 -4.53 117.46 111.32 1oo0 n PHE 93 Ca -0.07 0.19 0.05 0.00 1.01 0.00 0.00 57.45 58.63 1oo0 n PHE 93 Cb 1.01 -0.95 0.35 0.00 -0.01 0.00 0.00 39.48 39.88 1oo0 n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1oo0 h ASP 95 N 0.75 0.39 -0.07 0.00 3.32 -1.83 -1.99 116.42 116.98 1oo0 h ASP 95 Ca 0.26 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1oo0 h ASP 95 Cb 0.12 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1oo0 h ASP 95 CO -0.08 0.13 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 1oo0 n TYR 96 N -4.51 0.08 0.00 4.55 4.02 -1.02 -5.00 117.16 115.28 1oo0 n TYR 96 Ca 0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1oo0 n TYR 96 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 1oo0 n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oo0 n GLY 97 N 1.07 0.95 3.72 2.72 0.00 -0.75 -4.49 105.19 108.40 1oo0 n GLY 97 Ca 0.18 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1oo0 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oo0 s GLU 98 N -1.94 4.50 -0.33 1.61 2.12 -1.26 -4.60 118.70 118.80 1oo0 s GLU 98 Ca 0.00 1.15 -0.19 0.00 0.36 0.00 0.00 54.97 56.29 1oo0 s GLU 98 Cb 0.00 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1oo0 s GLU 98 CO 0.00 0.03 0.55 0.42 -0.54 0.00 0.00 175.26 175.72 1oo0 s ILE 99 N 0.82 4.99 0.16 -3.70 1.01 -1.26 -3.74 121.20 119.48 1oo0 s ILE 99 Ca 0.44 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 1oo0 s ILE 99 Cb -0.19 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 1oo0 s ILE 99 CO 0.23 -0.18 1.39 0.11 0.00 0.00 0.00 174.94 176.49 1oo0 h LYS 100 N 8.37 0.39 -2.22 2.79 1.57 -1.42 -3.47 116.57 122.58 1oo0 h LYS 100 Ca -0.28 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.08 1oo0 h LYS 100 Cb 1.12 0.09 -0.20 0.00 0.08 0.00 0.00 32.23 33.32 1oo0 h LYS 100 CO 0.78 1.01 0.06 -0.80 -0.57 0.00 0.00 179.45 179.93 1oo0 s ASN 101 N -7.00 -0.60 -0.06 0.86 0.01 -1.23 -5.00 114.94 101.91 1oo0 s ASN 101 Ca -0.05 0.85 -0.00 0.00 -0.71 0.00 0.00 52.86 52.95 1oo0 s ASN 101 Cb 0.10 0.80 0.03 0.00 0.41 0.00 0.00 41.25 42.59 1oo0 s ASN 101 CO 0.85 -0.44 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.35 1oo0 s ILE 102 N -0.61 0.49 -0.32 0.60 1.01 -1.26 -1.62 121.20 119.48 1oo0 s ILE 102 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1oo0 s ILE 102 Cb -0.02 -0.58 0.07 0.00 0.01 0.00 0.00 42.46 41.93 1oo0 s ILE 102 CO 0.06 0.25 0.02 -1.00 0.00 0.00 0.00 174.94 174.27 1oo0 s HIS 103 N 1.50 3.39 -0.63 3.97 3.76 -0.62 -4.97 115.29 121.68 1oo0 s HIS 103 Ca -0.02 -2.19 -0.01 0.00 -0.15 0.00 0.00 55.06 52.69 1oo0 s HIS 103 Cb -0.13 -2.37 0.16 0.00 1.11 0.00 0.00 32.58 31.34 1oo0 s HIS 103 CO -0.03 -0.87 0.43 -1.17 -0.85 0.00 0.00 174.74 172.26 1oo0 s LEU 104 N 1.16 5.02 0.29 0.89 2.96 -1.26 -1.75 118.68 126.00 1oo0 s LEU 104 Ca -0.02 -3.04 -0.29 0.00 -0.22 0.00 0.00 54.13 50.57 1oo0 s LEU 104 Cb -0.20 -1.80 -0.10 0.00 0.50 0.00 0.00 46.19 44.59 1oo0 s LEU 104 CO -0.03 -0.30 1.22 0.20 -1.32 0.00 0.00 176.35 176.11 1oo0 s ASN 105 N 0.25 7.00 0.15 3.68 0.01 -1.26 -4.89 114.94 119.88 1oo0 s ASN 105 Ca 0.18 2.48 -0.21 0.00 -0.71 0.00 0.00 52.86 54.61 1oo0 s ASN 105 Cb -0.20 -2.64 -0.08 0.00 0.41 0.00 0.00 41.25 38.75 1oo0 s ASN 105 CO -0.04 -0.37 0.67 -0.76 -1.51 0.00 0.00 177.10 175.10 1oo0 s LEU 106 N -1.46 4.47 0.19 0.60 1.43 -1.26 -1.04 118.68 121.61 1oo0 s LEU 106 Ca 0.48 1.40 -0.32 0.00 -1.03 0.00 0.00 54.13 54.66 1oo0 s LEU 106 Cb -0.36 -3.26 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 1oo0 s LEU 106 CO 0.46 0.16 1.75 -0.62 0.23 0.00 0.00 176.35 178.34 1oo0 s ASP 107 N -1.35 6.40 0.06 2.29 -1.08 0.30 -4.72 116.67 118.57 1oo0 s ASP 107 Ca 0.36 2.84 0.15 0.00 -0.52 0.00 0.00 52.55 55.37 1oo0 s ASP 107 Cb -0.19 -2.59 0.63 0.00 -1.46 0.00 0.00 42.92 39.31 1oo0 s ASP 107 CO 0.22 -0.98 1.46 0.54 0.52 0.00 0.00 175.17 176.93 1oo0 n ARG 108 N 4.43 0.04 -0.12 4.34 5.12 -1.26 -1.54 116.66 127.67 1oo0 n ARG 108 Ca 0.16 0.33 -0.16 0.00 -1.93 0.00 0.00 57.85 56.25 1oo0 n ARG 108 Cb 0.36 -1.59 -0.10 0.00 -1.16 0.00 0.00 32.46 29.97 1oo0 n ARG 108 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1oo0 n ARG 109 N -1.67 0.57 -0.04 5.56 0.63 -1.26 -4.81 116.66 115.65 1oo0 n ARG 109 Ca 0.03 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 56.96 1oo0 n ARG 109 Cb 0.16 -1.45 -0.14 0.00 0.45 0.00 0.00 32.46 31.47 1oo0 n ARG 109 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1oo0 n THR 110 N -3.22 1.60 -0.34 5.15 -2.24 -1.16 -5.00 114.28 109.08 1oo0 n THR 110 Ca -0.41 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1oo0 n THR 110 Cb 0.93 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1oo0 n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oo0 n GLY 111 N 1.78 0.81 3.95 3.38 0.00 -0.59 -5.01 105.19 109.52 1oo0 n GLY 111 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1oo0 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oo0 s PHE 112 N -2.76 2.40 0.40 1.61 2.99 -1.26 -4.79 117.98 116.57 1oo0 s PHE 112 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 56.93 56.90 1oo0 s PHE 112 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 43.02 39.67 1oo0 s PHE 112 CO 0.00 -1.63 1.15 -1.12 -0.00 0.00 0.00 175.22 173.62 1oo0 s SER 113 N -4.62 6.55 0.03 1.36 0.01 -0.16 -0.54 113.70 116.33 1oo0 s SER 113 Ca 0.63 2.29 0.28 0.00 1.31 0.00 0.00 55.95 60.47 1oo0 s SER 113 Cb -0.08 -2.61 1.14 0.00 0.21 0.00 0.00 66.02 64.68 1oo0 s SER 113 CO 0.45 -0.65 1.88 1.17 0.41 0.00 0.00 173.24 176.50 1oo0 n LYS 114 N 0.03 0.04 0.00 12.44 3.00 -0.21 -4.53 118.16 128.94 1oo0 n LYS 114 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1oo0 n LYS 114 Cb 0.47 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1oo0 n LYS 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1oo0 n GLY 115 N 1.47 1.00 3.14 3.14 0.00 -1.26 -4.95 105.19 107.72 1oo0 n GLY 115 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1oo0 n GLY 115 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oo0 s TYR 116 N -2.00 0.79 -0.01 1.61 -0.85 -1.26 -2.05 117.35 113.58 1oo0 s TYR 116 Ca 0.00 -1.20 -0.20 0.00 -0.52 0.00 0.00 57.07 55.15 1oo0 s TYR 116 Cb 0.00 -0.46 0.04 0.00 0.38 0.00 0.00 41.96 41.92 1oo0 s TYR 116 CO 0.00 -0.49 0.43 0.00 -1.52 0.00 0.00 175.55 173.97 1oo0 s ALA 117 N -4.02 -1.10 -0.14 9.51 0.00 0.36 -4.03 121.76 122.35 1oo0 s ALA 117 Ca 0.21 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1oo0 s ALA 117 Cb 0.08 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1oo0 s ALA 117 CO -0.01 -0.34 0.01 -0.51 0.00 0.00 0.00 175.76 174.91 1oo0 s LEU 118 N -1.48 3.58 -0.12 0.00 1.02 -0.72 -0.13 118.68 120.83 1oo0 s LEU 118 Ca -0.11 0.05 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 1oo0 s LEU 118 Cb -0.03 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.34 1oo0 s LEU 118 CO 0.04 0.24 -0.10 -0.69 0.02 0.00 0.00 176.35 175.87 1oo0 s VAL 119 N -0.08 1.17 -0.15 -1.59 1.01 -0.36 -1.59 120.40 118.82 1oo0 s VAL 119 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1oo0 s VAL 119 Cb -0.13 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1oo0 s VAL 119 CO 0.02 0.39 -0.06 -0.70 0.00 0.00 0.00 175.10 174.75 1oo0 s GLU 120 N 1.59 3.60 0.17 2.72 2.12 -0.64 -0.58 118.70 127.68 1oo0 s GLU 120 Ca 0.04 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.88 1oo0 s GLU 120 Cb -0.13 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1oo0 s GLU 120 CO -0.08 0.22 0.02 0.71 -0.54 0.00 0.00 175.26 175.59 1oo0 s TYR 121 N 0.41 2.90 0.36 5.30 2.02 0.17 -1.00 117.35 127.51 1oo0 s TYR 121 Ca -0.05 -0.11 0.11 0.00 -0.37 0.00 0.00 57.07 56.65 1oo0 s TYR 121 Cb -0.15 -1.41 0.70 0.00 -0.40 0.00 0.00 41.96 40.71 1oo0 s TYR 121 CO 0.03 0.52 1.83 1.49 -1.57 0.00 0.00 175.55 177.85 1oo0 h GLU 122 N 2.69 0.07 -5.05 -0.62 4.81 -1.86 0.30 114.58 114.93 1oo0 h GLU 122 Ca -0.47 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 58.40 1oo0 h GLU 122 Cb 1.20 -0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 1oo0 h GLU 122 CO 0.59 0.40 -0.70 0.95 -0.73 0.00 0.00 179.01 179.52 1oo0 s THR 123 N -4.28 1.11 0.36 0.32 -4.23 -1.26 -4.60 115.64 103.06 1oo0 s THR 123 Ca -0.03 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 58.54 1oo0 s THR 123 Cb 0.14 -1.95 0.08 0.00 1.34 0.00 0.00 72.50 72.11 1oo0 s THR 123 CO 0.73 -0.66 1.80 -0.74 -0.54 0.00 0.00 174.62 175.21 1oo0 h HIS 124 N 2.72 0.03 0.57 3.99 2.76 -1.96 -2.57 115.15 120.69 1oo0 h HIS 124 Ca -0.37 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.77 1oo0 h HIS 124 Cb 1.20 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1oo0 h HIS 124 CO 0.63 0.41 -0.31 0.87 -1.30 0.00 0.00 177.93 178.23 1oo0 h LYS 125 N 0.02 -0.79 -0.32 5.26 1.57 -1.99 -1.23 116.57 119.09 1oo0 h LYS 125 Ca -0.00 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1oo0 h LYS 125 Cb 0.71 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1oo0 h LYS 125 CO 0.05 -0.53 0.11 1.96 -0.57 0.00 0.00 179.45 180.47 1oo0 h GLN 126 N -0.82 0.24 -0.72 3.15 4.20 -1.75 -0.14 115.11 119.27 1oo0 h GLN 126 Ca -0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1oo0 h GLN 126 Cb 0.65 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1oo0 h GLN 126 CO 0.10 0.16 0.29 0.00 -0.67 0.00 0.00 178.83 178.71 1oo0 h ALA 127 N 1.21 0.94 -0.21 3.87 0.00 -1.43 -1.23 119.26 122.41 1oo0 h ALA 127 Ca 0.15 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1oo0 h ALA 127 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1oo0 h ALA 127 CO -0.16 0.56 -0.47 1.25 0.00 0.00 0.00 179.25 180.43 1oo0 h LEU 128 N 1.03 0.59 0.32 0.00 5.85 -0.99 -0.63 115.31 121.47 1oo0 h LEU 128 Ca 0.24 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1oo0 h LEU 128 Cb 0.21 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1oo0 h LEU 128 CO -0.02 0.97 -0.18 0.00 -0.34 0.00 0.00 178.44 178.87 1oo0 h ALA 129 N 1.05 -0.47 -0.40 1.25 0.00 -0.55 -2.25 119.26 117.89 1oo0 h ALA 129 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1oo0 h ALA 129 Cb 0.99 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1oo0 h ALA 129 CO 0.09 -0.77 0.09 0.00 0.00 0.00 0.00 179.25 178.66 1oo0 h ALA 130 N 0.19 0.44 -0.21 0.00 0.00 -1.14 -1.04 119.26 117.50 1oo0 h ALA 130 Ca -0.04 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1oo0 h ALA 130 Cb 0.39 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1oo0 h ALA 130 CO 0.04 -0.31 -0.43 -0.22 0.00 0.00 0.00 179.25 178.34 1oo0 h LYS 131 N 0.22 -0.43 -0.07 0.00 3.64 -0.92 0.88 116.57 119.90 1oo0 h LYS 131 Ca 0.19 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1oo0 h LYS 131 Cb 0.22 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1oo0 h LYS 131 CO -0.24 -0.29 -0.44 0.93 -2.27 0.00 0.00 179.45 177.14 1oo0 h GLU 132 N -0.45 0.15 0.12 1.90 5.08 -1.25 -0.91 114.58 119.22 1oo0 h GLU 132 Ca 0.09 -0.08 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 1oo0 h GLU 132 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1oo0 h GLU 132 CO -0.45 0.57 -1.21 0.00 -1.00 0.00 0.00 179.01 176.93 1oo0 h ALA 133 N 1.42 0.12 0.00 3.43 0.00 -0.58 -3.39 119.26 120.26 1oo0 h ALA 133 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 1oo0 h ALA 133 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1oo0 h ALA 133 CO 0.06 0.92 -1.99 1.28 0.00 0.00 0.00 179.25 179.52 1oo0 n LEU 134 N -3.59 0.00 -4.74 0.00 4.77 0.30 -4.72 117.00 109.03 1oo0 n LEU 134 Ca -0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 1oo0 n LEU 134 Cb 1.00 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 42.11 1oo0 n LEU 134 CO 0.54 0.05 1.28 0.21 -1.33 0.00 0.00 177.39 178.14 1oo0 s ASN 135 N -4.51 6.41 0.00 -1.43 2.47 -0.35 -1.18 114.94 116.35 1oo0 s ASN 135 Ca -0.08 2.88 0.00 0.00 0.42 0.00 0.00 52.86 56.08 1oo0 s ASN 135 Cb 0.13 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1oo0 s ASN 135 CO 0.86 -0.92 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 1oo0 n GLY 136 N 2.92 1.66 2.53 1.21 0.00 -0.51 -4.92 105.19 108.08 1oo0 n GLY 136 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1oo0 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oo0 n ALA 137 N -0.42 -1.22 -2.77 4.61 0.00 -0.32 -4.74 120.51 115.65 1oo0 n ALA 137 Ca 0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 53.44 52.14 1oo0 n ALA 137 Cb 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 1oo0 n ALA 137 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1oo0 s GLU 138 N -4.89 0.65 -0.15 0.00 2.02 -1.26 -1.08 118.70 113.98 1oo0 s GLU 138 Ca 0.50 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 1oo0 s GLU 138 Cb -0.02 -0.54 0.03 0.00 0.10 0.00 0.00 34.13 33.70 1oo0 s GLU 138 CO 0.35 0.12 -0.08 0.42 0.02 0.00 0.00 175.26 176.09 1oo0 s ILE 139 N -0.99 1.24 -1.66 -1.63 1.01 -0.55 -4.72 121.20 113.89 1oo0 s ILE 139 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1oo0 s ILE 139 Cb -0.08 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1oo0 s ILE 139 CO 0.01 0.27 0.00 0.23 0.00 0.00 0.00 174.94 175.44 1oo0 n MET 140 N 4.85 -1.53 -0.76 2.79 2.81 -1.26 -1.74 117.12 122.28 1oo0 n MET 140 Ca -0.13 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.70 1oo0 n MET 140 Cb 0.49 -5.51 0.00 0.00 -0.71 0.00 0.00 33.22 27.49 1oo0 n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1oo0 n GLY 141 N -1.01 0.85 3.41 3.03 0.00 -1.26 -5.03 105.19 105.18 1oo0 n GLY 141 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1oo0 n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oo0 s GLN 142 N -0.24 3.51 -0.01 1.61 0.74 -0.71 -5.06 119.66 119.49 1oo0 s GLN 142 Ca 0.00 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 1oo0 s GLN 142 Cb 0.00 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 1oo0 s GLN 142 CO 0.00 0.14 1.24 0.99 -0.55 0.00 0.00 175.29 177.11 1oo0 s THR 143 N 0.59 4.09 0.26 -0.34 2.01 -1.26 -1.48 115.64 119.50 1oo0 s THR 143 Ca -0.05 1.46 0.04 0.00 0.31 0.00 0.00 61.69 63.45 1oo0 s THR 143 Cb -0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1oo0 s THR 143 CO 0.03 0.03 0.40 0.27 -0.69 0.00 0.00 174.62 174.66 1oo0 s ILE 144 N 1.92 5.22 0.04 1.82 -4.36 -0.24 -4.75 121.20 120.85 1oo0 s ILE 144 Ca 0.58 -0.89 0.09 0.00 -0.26 0.00 0.00 60.65 60.17 1oo0 s ILE 144 Cb -0.27 -3.86 -0.03 0.00 1.25 0.00 0.00 42.46 39.55 1oo0 s ILE 144 CO 0.25 -0.37 -0.26 -1.10 0.24 0.00 0.00 174.94 173.70 1oo0 s GLN 145 N -4.05 1.76 -0.09 0.37 -1.52 -0.56 -1.42 119.66 114.15 1oo0 s GLN 145 Ca 0.35 -1.08 0.01 0.00 -1.95 0.00 0.00 55.36 52.69 1oo0 s GLN 145 Cb -0.09 -1.92 0.02 0.00 -0.22 0.00 0.00 33.01 30.80 1oo0 s GLN 145 CO 0.30 0.50 -0.09 0.08 -0.25 0.00 0.00 175.29 175.83 1oo0 s VAL 146 N -0.79 1.01 0.26 1.09 1.01 -1.26 -1.35 120.40 120.36 1oo0 s VAL 146 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1oo0 s VAL 146 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1oo0 s VAL 146 CO 0.02 0.35 0.13 -1.81 0.00 0.00 0.00 175.10 173.79 1oo0 s ASP 147 N 1.30 1.05 0.55 3.32 1.01 -0.68 -4.69 116.67 118.52 1oo0 s ASP 147 Ca -0.03 -1.45 -0.18 0.00 0.71 0.00 0.00 52.55 51.59 1oo0 s ASP 147 Cb -0.14 0.31 -0.05 0.00 1.01 0.00 0.00 42.92 44.04 1oo0 s ASP 147 CO -0.03 -0.82 1.09 0.26 0.21 0.00 0.00 175.17 175.87 1oo0 s TRP 148 N -3.80 2.80 -0.08 4.23 0.52 -1.26 -0.18 118.94 121.17 1oo0 s TRP 148 Ca 0.38 1.55 -0.04 0.00 0.02 0.00 0.00 56.10 58.00 1oo0 s TRP 148 Cb 0.06 -3.17 -0.27 0.00 -1.15 0.00 0.00 33.47 28.95 1oo0 s TRP 148 CO 0.15 -1.31 0.51 0.00 0.02 0.00 0.00 176.95 176.32 1oo0 s PHE 150 N -2.57 2.17 0.33 0.00 0.08 -1.26 -4.95 117.98 111.77 1oo0 s PHE 150 Ca -0.17 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.57 1oo0 s PHE 150 Cb 0.07 -1.21 -0.06 0.00 -0.57 0.00 0.00 43.02 41.24 1oo0 s PHE 150 CO 0.80 0.25 -0.08 0.14 -0.10 0.00 0.00 175.22 176.23 1oo0 s VAL 151 N -1.01 2.02 0.14 -0.44 -7.23 -1.26 -1.97 120.40 110.65 1oo0 s VAL 151 Ca 0.12 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1oo0 s VAL 151 Cb -0.10 -2.60 -0.19 0.00 0.56 0.00 0.00 36.38 34.05 1oo0 s VAL 151 CO 0.05 -0.22 1.31 0.11 -0.31 0.00 0.00 175.10 176.03 1oo0 h LYS 152 N 2.10 0.17 0.00 4.82 1.57 -1.00 -3.41 116.57 120.82 1oo0 h LYS 152 Ca -0.41 -0.22 -0.44 0.00 -1.87 0.00 0.00 60.65 57.70 1oo0 h LYS 152 Cb 1.24 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.51 1oo0 h LYS 152 CO 0.70 1.02 -0.42 0.41 -0.57 0.00 0.00 179.45 180.59 1oo0 n GLY 153 N 1.11 2.84 2.90 3.86 0.00 -1.26 -5.04 105.19 109.61 1oo0 n GLY 153 Ca -0.04 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1oo0 n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oo0 n PRO 154 N -0.61 -4.07 -0.03 1.61 -0.04 -1.26 -4.60 135.00 126.00 1oo0 n PRO 154 Ca 0.07 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1oo0 n PRO 154 Cb 0.58 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1oo0 n PRO 154 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09