#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d7i s VAL 2 N 0.00 1.88 -0.16 1.61 0.11 -1.26 -2.51 120.40 120.07 1d7i s VAL 2 Ca 0.00 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.46 1d7i s VAL 2 Cb 0.00 -1.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1d7i s VAL 2 CO 0.00 -0.00 -0.15 -1.58 -3.33 0.00 0.00 175.10 170.04 1d7i s GLN 3 N -1.92 2.40 -0.19 1.54 0.74 -0.17 -4.97 119.66 117.08 1d7i s GLN 3 Ca 0.09 -0.63 -0.08 0.00 0.05 0.00 0.00 55.36 54.79 1d7i s GLN 3 Cb -0.10 -2.21 -0.04 0.00 1.10 0.00 0.00 33.01 31.76 1d7i s GLN 3 CO 0.05 -0.25 0.08 0.08 -0.55 0.00 0.00 175.29 174.70 1d7i s VAL 4 N 1.45 4.87 -0.08 1.34 1.01 -1.26 -1.43 120.40 126.30 1d7i s VAL 4 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1d7i s VAL 4 Cb -0.13 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1d7i s VAL 4 CO -0.11 0.44 -0.11 -1.61 0.00 0.00 0.00 175.10 173.71 1d7i s GLU 5 N 0.51 1.63 0.58 2.72 2.02 -0.72 -4.98 118.70 120.45 1d7i s GLU 5 Ca 0.04 -0.36 -0.16 0.00 0.02 0.00 0.00 54.97 54.51 1d7i s GLU 5 Cb -0.12 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 1d7i s GLU 5 CO 0.01 -0.06 1.05 0.99 0.02 0.00 0.00 175.26 177.27 1d7i s THR 6 N 0.95 3.88 -0.01 3.63 2.01 -1.26 -0.32 115.64 124.52 1d7i s THR 6 Ca -0.09 0.91 -0.00 0.00 0.31 0.00 0.00 61.69 62.81 1d7i s THR 6 Cb -0.15 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 1d7i s THR 6 CO 0.00 -0.51 -0.01 -0.38 -0.69 0.00 0.00 174.62 173.04 1d7i n ILE 7 N -1.92 0.04 -3.74 1.82 5.41 -0.27 -4.76 119.36 115.94 1d7i n ILE 7 Ca 0.09 -0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.70 1d7i n ILE 7 Cb 0.53 -1.03 -0.11 0.00 -0.71 0.00 0.00 39.64 38.32 1d7i n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1d7i s SER 8 N -4.58 -0.36 0.59 4.38 0.15 -0.85 -5.00 113.70 108.03 1d7i s SER 8 Ca -0.01 0.68 -0.19 0.00 0.70 0.00 0.00 55.95 57.13 1d7i s SER 8 Cb 0.00 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1d7i s SER 8 CO 0.02 -0.14 1.20 -2.16 1.20 0.00 0.00 173.24 173.35 1d7i s PRO 9 N 0.73 3.00 0.00 5.44 0.04 -1.26 -1.47 135.00 141.48 1d7i s PRO 9 Ca -0.05 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1d7i s PRO 9 Cb -0.06 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1d7i s PRO 9 CO -0.05 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1d7i n GLY 10 N 0.47 2.99 0.00 0.56 0.00 -1.26 -4.27 105.19 103.68 1d7i n GLY 10 Ca 0.13 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.28 1d7i n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d7i n ASP 11 N 0.00 0.00 -0.83 1.61 3.85 -0.54 -4.83 116.55 115.81 1d7i n ASP 11 Ca 0.00 -0.20 -0.11 0.00 -0.71 0.00 0.00 54.79 53.77 1d7i n ASP 11 Cb 0.00 -0.25 -0.05 0.00 -1.35 0.00 0.00 41.12 39.47 1d7i n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1d7i n GLY 12 N 1.08 1.13 0.00 6.12 0.00 -1.26 -4.72 105.19 107.54 1d7i n GLY 12 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1d7i n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d7i n ARG 13 N -1.74 0.00 -2.92 1.61 1.85 -1.26 -5.03 116.66 109.17 1d7i n ARG 13 Ca -0.11 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.31 1d7i n ARG 13 Cb 0.47 -0.33 -0.04 0.00 -1.05 0.00 0.00 32.46 31.51 1d7i n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1d7i s THR 14 N -1.00 4.45 -0.04 8.89 2.01 -1.26 -5.03 115.64 123.65 1d7i s THR 14 Ca 0.00 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1d7i s THR 14 Cb 0.00 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 1d7i s THR 14 CO 0.00 -1.38 0.05 -0.36 -0.69 0.00 0.00 174.62 172.24 1d7i s PHE 15 N 3.72 3.24 0.36 4.92 0.08 -1.26 -1.64 117.98 127.40 1d7i s PHE 15 Ca 0.20 0.22 -0.28 0.00 0.12 0.00 0.00 56.93 57.19 1d7i s PHE 15 Cb -0.18 -1.77 -0.10 0.00 -0.57 0.00 0.00 43.02 40.40 1d7i s PHE 15 CO 0.09 0.53 1.32 -2.14 -0.10 0.00 0.00 175.22 174.92 1d7i s PRO 16 N -1.34 4.21 0.24 0.24 0.02 -1.26 -5.04 135.00 132.06 1d7i s PRO 16 Ca 0.18 2.23 0.10 0.00 0.02 0.00 0.00 61.00 63.54 1d7i s PRO 16 Cb -0.12 -2.96 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 1d7i s PRO 16 CO 0.08 -0.32 -0.13 0.15 -0.33 0.00 0.00 177.00 176.46 1d7i s LYS 17 N -1.97 1.92 0.24 5.54 -0.14 -1.26 -4.88 119.74 119.19 1d7i s LYS 17 Ca 0.52 -1.50 -0.31 0.00 -1.36 0.00 0.00 55.97 53.31 1d7i s LYS 17 Cb -0.40 -1.99 -0.13 0.00 -1.68 0.00 0.00 37.83 33.63 1d7i s LYS 17 CO 0.53 0.38 1.45 0.54 -0.76 0.00 0.00 175.35 177.48 1d7i n ARG 18 N -0.37 2.11 0.00 1.68 3.00 -1.26 -2.04 116.66 119.78 1d7i n ARG 18 Ca -0.08 0.75 0.00 0.00 -0.01 0.00 0.00 57.85 58.51 1d7i n ARG 18 Cb 0.58 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.60 1d7i n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1d7i n GLY 19 N 2.30 1.26 3.85 -0.13 0.00 0.09 -4.99 105.19 107.57 1d7i n GLY 19 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1d7i n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d7i s GLN 20 N -0.76 4.00 -0.38 1.61 -0.21 -0.87 -4.78 119.66 118.28 1d7i s GLN 20 Ca 0.00 0.63 -0.18 0.00 0.02 0.00 0.00 55.36 55.83 1d7i s GLN 20 Cb 0.00 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.47 1d7i s GLN 20 CO 0.00 0.22 0.51 0.99 -2.12 0.00 0.00 175.29 174.89 1d7i s THR 21 N -1.88 5.01 -0.11 -0.19 2.01 0.26 -0.58 115.64 120.17 1d7i s THR 21 Ca 0.51 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.46 1d7i s THR 21 Cb -0.11 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1d7i s THR 21 CO 0.18 -0.31 0.61 0.00 -0.69 0.00 0.00 174.62 174.42 1d7i s VAL 23 N 0.92 4.18 0.34 0.00 1.01 -0.71 -2.44 120.40 123.71 1d7i s VAL 23 Ca 0.32 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1d7i s VAL 23 Cb -0.16 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1d7i s VAL 23 CO 0.14 -0.15 -0.01 0.68 0.00 0.00 0.00 175.10 175.76 1d7i s VAL 24 N 1.49 1.70 -0.02 2.92 -7.23 -0.06 -0.31 120.40 118.90 1d7i s VAL 24 Ca 0.01 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1d7i s VAL 24 Cb -0.19 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 1d7i s VAL 24 CO 0.05 -0.11 -0.15 -2.28 -0.31 0.00 0.00 175.10 172.29 1d7i s HIS 25 N -2.95 1.42 0.19 2.82 2.46 -0.94 -0.40 115.29 117.90 1d7i s HIS 25 Ca 0.34 -0.31 -0.12 0.00 0.47 0.00 0.00 55.06 55.43 1d7i s HIS 25 Cb 0.07 -0.93 0.00 0.00 -0.13 0.00 0.00 32.58 31.59 1d7i s HIS 25 CO 0.15 -0.06 0.39 1.52 -2.47 0.00 0.00 174.74 174.28 1d7i s TYR 26 N -0.22 0.23 -0.07 3.88 -0.85 -1.26 -1.50 117.35 117.57 1d7i s TYR 26 Ca 0.03 -0.59 -0.03 0.00 -0.52 0.00 0.00 57.07 55.96 1d7i s TYR 26 Cb -0.07 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.43 1d7i s TYR 26 CO 0.00 -0.83 0.13 0.99 -1.52 0.00 0.00 175.55 174.32 1d7i s THR 27 N -3.95 -0.15 -0.12 -3.49 2.01 -0.84 -1.44 115.64 107.66 1d7i s THR 27 Ca 0.16 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 1d7i s THR 27 Cb 0.01 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1d7i s THR 27 CO 0.01 0.12 0.12 -0.83 -0.69 0.00 0.00 174.62 173.35 1d7i s GLY 28 N 1.79 2.11 0.05 4.40 0.00 0.81 -1.61 107.32 114.88 1d7i s GLY 28 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1d7i s GLY 28 CO -0.05 -0.39 -0.05 1.06 0.00 0.00 0.00 173.10 173.67 1d7i s MET 29 N -0.97 0.56 0.49 2.90 -1.94 0.30 -1.38 119.30 119.27 1d7i s MET 29 Ca 0.15 -0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1d7i s MET 29 Cb -0.12 -0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.67 1d7i s MET 29 CO 0.04 -0.03 0.74 -0.51 -0.01 0.00 0.00 175.02 175.25 1d7i s LEU 30 N -2.19 3.51 0.42 -0.03 1.43 -0.05 -1.65 118.68 120.11 1d7i s LEU 30 Ca -0.03 0.36 0.24 0.00 -1.03 0.00 0.00 54.13 53.67 1d7i s LEU 30 Cb -0.02 -3.22 1.25 0.00 0.03 0.00 0.00 46.19 44.22 1d7i s LEU 30 CO -0.04 -0.84 1.72 -0.33 0.23 0.00 0.00 176.35 177.09 1d7i h GLU 31 N 0.22 0.25 0.00 1.70 5.08 -1.90 0.32 114.58 120.25 1d7i h GLU 31 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1d7i h GLU 31 Cb 1.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1d7i h GLU 31 CO 0.58 0.16 0.00 0.38 -1.00 0.00 0.00 179.01 179.13 1d7i h ASP 32 N 0.26 0.00 0.00 1.42 2.03 -1.93 -3.46 116.42 114.74 1d7i h ASP 32 Ca 0.68 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.98 1d7i h ASP 32 Cb 1.95 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.45 1d7i h ASP 32 CO -0.33 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.49 1d7i n GLY 33 N 0.17 0.90 3.72 7.15 0.00 0.11 -5.07 105.19 112.16 1d7i n GLY 33 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1d7i n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d7i s LYS 34 N -0.94 4.60 0.28 1.61 2.20 -1.25 -4.78 119.74 121.46 1d7i s LYS 34 Ca 0.00 1.41 -0.28 0.00 -0.36 0.00 0.00 55.97 56.75 1d7i s LYS 34 Cb 0.00 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.79 1d7i s LYS 34 CO 0.00 0.04 0.93 0.21 -0.36 0.00 0.00 175.35 176.17 1d7i s LYS 35 N 0.66 4.69 0.00 4.03 2.20 -1.26 -0.88 119.74 129.18 1d7i s LYS 35 Ca 0.50 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1d7i s LYS 35 Cb -0.22 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1d7i s LYS 35 CO 0.28 0.39 0.00 1.97 -0.36 0.00 0.00 175.35 177.64 1d7i n PHE 36 N 0.99 0.00 -3.66 4.03 -1.74 -0.48 -4.95 117.46 111.66 1d7i n PHE 36 Ca -0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.74 1d7i n PHE 36 Cb 0.49 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.41 1d7i n PHE 36 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1d7i s ASP 37 N -1.80 -0.42 -0.30 5.98 2.15 -1.23 -5.00 116.67 116.05 1d7i s ASP 37 Ca 0.00 0.47 -0.12 0.00 0.43 0.00 0.00 52.55 53.33 1d7i s ASP 37 Cb 0.00 0.50 0.17 0.00 -0.30 0.00 0.00 42.92 43.29 1d7i s ASP 37 CO 0.00 -0.48 0.90 -0.55 -0.17 0.00 0.00 175.17 174.88 1d7i s SER 38 N -1.06 -0.75 0.57 -0.34 0.15 -1.26 -0.13 113.70 110.89 1d7i s SER 38 Ca -0.11 0.79 0.35 0.00 0.70 0.00 0.00 55.95 57.68 1d7i s SER 38 Cb -0.03 1.76 1.64 0.00 -1.71 0.00 0.00 66.02 67.67 1d7i s SER 38 CO 0.06 -0.14 2.09 0.77 1.20 0.00 0.00 173.24 177.22 1d7i h SER 39 N 7.75 0.00 -0.13 5.45 4.64 -1.51 -2.27 113.55 127.48 1d7i h SER 39 Ca -0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 1d7i h SER 39 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1d7i h SER 39 CO 0.07 0.04 -0.36 0.03 -0.87 0.00 0.00 176.83 175.74 1d7i h ARG 40 N 0.00 0.64 0.00 4.77 3.08 -1.80 0.38 114.38 121.44 1d7i h ARG 40 Ca -0.00 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 1d7i h ARG 40 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1d7i h ARG 40 CO 0.00 0.90 -0.43 -0.44 -1.07 0.00 0.00 179.97 178.93 1d7i h ASP 41 N 0.53 0.00 0.95 7.04 3.45 -1.74 -1.27 116.42 125.38 1d7i h ASP 41 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1d7i h ASP 41 Cb 0.86 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 1d7i h ASP 41 CO 0.07 0.43 -0.30 0.54 -1.57 0.00 0.00 179.24 178.41 1d7i n ARG 42 N -3.88 0.14 -3.44 3.56 1.74 -0.97 -4.92 116.66 108.90 1d7i n ARG 42 Ca -0.01 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 1d7i n ARG 42 Cb 0.48 -1.62 0.05 0.00 -1.02 0.00 0.00 32.46 30.35 1d7i n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1d7i n ASN 43 N -1.85 -5.96 -3.69 0.55 5.15 0.03 -4.97 115.26 104.52 1d7i n ASN 43 Ca 0.05 -0.48 -0.15 0.00 -0.60 0.00 0.00 54.58 53.40 1d7i n ASN 43 Cb 0.39 -4.75 -0.15 0.00 -0.53 0.00 0.00 39.78 34.74 1d7i n ASN 43 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1d7i s LYS 44 N -6.14 0.07 0.61 1.20 2.47 -0.64 -5.03 119.74 112.27 1d7i s LYS 44 Ca 0.50 0.53 -0.17 0.00 -1.56 0.00 0.00 55.97 55.26 1d7i s LYS 44 Cb -0.23 -0.22 -0.03 0.00 -1.46 0.00 0.00 37.83 35.90 1d7i s LYS 44 CO 0.61 -0.26 1.13 -2.14 0.16 0.00 0.00 175.35 174.86 1d7i s PRO 45 N 1.94 3.00 -0.11 4.03 0.02 -1.26 -4.56 135.00 138.07 1d7i s PRO 45 Ca -0.01 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 62.51 1d7i s PRO 45 Cb -0.12 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1d7i s PRO 45 CO -0.06 -1.12 0.07 0.12 -0.33 0.00 0.00 177.00 175.69 1d7i s PHE 46 N -2.00 3.38 -0.01 6.54 2.19 0.47 -4.93 117.98 123.62 1d7i s PHE 46 Ca 0.71 0.35 0.07 0.00 0.33 0.00 0.00 56.93 58.39 1d7i s PHE 46 Cb -0.23 -1.89 -0.02 0.00 -1.31 0.00 0.00 43.02 39.57 1d7i s PHE 46 CO 0.35 0.57 -0.22 0.15 1.83 0.00 0.00 175.22 177.90 1d7i s LYS 47 N -0.84 1.75 -0.01 10.12 1.02 -1.26 -0.88 119.74 129.64 1d7i s LYS 47 Ca 0.13 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.16 1d7i s LYS 47 Cb -0.12 -1.71 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1d7i s LYS 47 CO 0.03 0.47 0.35 -0.59 -0.92 0.00 0.00 175.35 174.68 1d7i s PHE 48 N -0.54 -0.22 -0.18 3.18 -0.12 -1.02 -4.99 117.98 114.09 1d7i s PHE 48 Ca 0.08 0.32 -0.18 0.00 -0.05 0.00 0.00 56.93 57.10 1d7i s PHE 48 Cb -0.08 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 1d7i s PHE 48 CO -0.01 -0.43 0.51 1.41 -0.05 0.00 0.00 175.22 176.66 1d7i s MET 49 N -1.48 4.23 0.12 1.99 -2.45 -1.26 -0.75 119.30 119.70 1d7i s MET 49 Ca -0.12 0.43 -0.31 0.00 -1.25 0.00 0.00 55.69 54.44 1d7i s MET 49 Cb -0.04 -3.53 -0.09 0.00 1.25 0.00 0.00 34.83 32.42 1d7i s MET 49 CO 0.04 -0.07 1.58 -1.17 1.05 0.00 0.00 175.02 176.45 1d7i s LEU 50 N 1.37 4.37 0.00 4.11 2.96 0.26 -2.86 118.68 128.89 1d7i s LEU 50 Ca 0.25 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 1d7i s LEU 50 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1d7i s LEU 50 CO 0.10 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 1d7i n GLY 51 N 3.82 2.63 0.20 7.98 0.00 -1.26 -0.73 105.19 117.83 1d7i n GLY 51 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1d7i n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d7i n LYS 52 N -2.00 1.25 -2.14 1.61 4.76 -1.13 -4.90 118.16 115.61 1d7i n LYS 52 Ca 0.00 -0.39 -0.16 0.00 -2.87 0.00 0.00 58.31 54.89 1d7i n LYS 52 Cb 0.00 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 1d7i n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1d7i n GLN 53 N -0.30 -1.78 -0.10 1.97 6.02 -1.26 -4.86 117.38 117.07 1d7i n GLN 53 Ca 0.09 0.85 0.06 0.00 -0.01 0.00 0.00 57.00 58.00 1d7i n GLN 53 Cb 0.12 -5.38 0.23 0.00 1.02 0.00 0.00 30.24 26.23 1d7i n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1d7i n GLU 54 N -2.66 1.57 -4.07 -1.09 0.28 -1.26 -4.82 120.64 108.58 1d7i n GLU 54 Ca -0.19 -0.87 -0.10 0.00 -0.16 0.00 0.00 57.16 55.84 1d7i n GLU 54 Cb 0.62 -1.26 -0.09 0.00 1.43 0.00 0.00 31.44 32.14 1d7i n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1d7i s VAL 55 N -1.73 0.07 0.45 3.84 -7.23 -1.26 -5.07 120.40 109.46 1d7i s VAL 55 Ca 0.22 -1.68 -0.25 0.00 -1.81 0.00 0.00 61.98 58.46 1d7i s VAL 55 Cb 0.12 -2.03 -0.08 0.00 0.56 0.00 0.00 36.38 34.95 1d7i s VAL 55 CO 0.17 -0.31 1.36 0.27 -0.31 0.00 0.00 175.10 176.28 1d7i s ILE 56 N -4.03 2.30 0.32 -0.62 -4.36 -1.26 -4.80 121.20 108.74 1d7i s ILE 56 Ca 0.23 0.26 0.05 0.00 -0.26 0.00 0.00 60.65 60.93 1d7i s ILE 56 Cb 0.05 -3.15 0.41 0.00 1.25 0.00 0.00 42.46 41.02 1d7i s ILE 56 CO 0.03 0.03 1.55 -1.14 0.24 0.00 0.00 174.94 175.65 1d7i n ARG 57 N -0.23 -0.08 -0.03 0.37 3.00 -1.20 -0.38 116.66 118.12 1d7i n ARG 57 Ca 0.05 1.46 0.13 0.00 -0.00 0.00 0.00 57.85 59.50 1d7i n ARG 57 Cb 0.43 -2.37 0.55 0.00 0.00 0.00 0.00 32.46 31.08 1d7i n ARG 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1d7i h GLY 58 N 0.00 0.40 0.90 5.14 0.00 -1.44 -1.14 103.07 106.94 1d7i h GLY 58 Ca 0.64 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.66 1d7i h GLY 58 CO -0.90 0.07 -0.71 1.49 0.00 0.00 0.00 176.54 176.49 1d7i h TRP 59 N 0.29 0.74 -0.84 5.60 4.06 -0.99 -0.80 115.95 124.00 1d7i h TRP 59 Ca 0.24 -0.39 0.07 0.00 2.06 0.00 0.00 58.89 60.86 1d7i h TRP 59 Cb 0.57 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.58 1d7i h TRP 59 CO -0.00 1.21 0.52 0.93 -3.56 0.00 0.00 178.44 177.54 1d7i h GLU 60 N 0.05 0.90 0.00 0.49 4.39 -1.10 -0.15 114.58 119.16 1d7i h GLU 60 Ca -0.09 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 1d7i h GLU 60 Cb 1.40 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1d7i h GLU 60 CO 0.14 0.60 -1.21 0.93 -1.16 0.00 0.00 179.01 178.31 1d7i h GLU 61 N 0.93 0.00 0.12 2.33 5.08 -1.29 -3.27 114.58 118.48 1d7i h GLU 61 Ca 0.37 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.39 1d7i h GLU 61 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1d7i h GLU 61 CO -0.18 0.30 -1.83 0.78 -1.00 0.00 0.00 179.01 177.08 1d7i h GLY 62 N 3.70 0.29 2.00 -3.84 0.00 -0.98 -3.34 103.07 100.90 1d7i h GLY 62 Ca -0.12 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.39 1d7i h GLY 62 CO 0.05 0.66 -0.31 -2.08 0.00 0.00 0.00 176.54 174.85 1d7i h VAL 63 N 0.07 0.84 0.00 4.60 2.07 -1.21 -2.59 116.25 120.03 1d7i h VAL 63 Ca -0.36 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1d7i h VAL 63 Cb 2.04 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1d7i h VAL 63 CO 0.12 0.31 -0.07 0.00 0.02 0.00 0.00 177.57 177.94 1d7i h ALA 64 N 1.69 1.06 -0.11 1.67 0.00 -1.67 -2.60 119.26 119.29 1d7i h ALA 64 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d7i h ALA 64 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1d7i h ALA 64 CO 0.04 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.42 1d7i n GLN 65 N -3.27 1.99 -3.95 0.00 6.02 -0.98 -4.40 117.38 112.79 1d7i n GLN 65 Ca -0.00 -1.45 -0.23 0.00 -0.01 0.00 0.00 57.00 55.30 1d7i n GLN 65 Cb 0.29 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 1d7i n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1d7i s MET 66 N -1.87 3.44 0.22 -1.09 -1.94 -0.98 -5.10 119.30 111.98 1d7i s MET 66 Ca 0.34 -0.68 0.09 0.00 -1.71 0.00 0.00 55.69 53.74 1d7i s MET 66 Cb 0.20 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 1d7i s MET 66 CO 0.31 0.47 -0.05 -1.54 -0.01 0.00 0.00 175.02 174.19 1d7i s SER 67 N -3.64 4.41 0.23 3.03 1.04 -1.26 -4.22 113.70 113.29 1d7i s SER 67 Ca 0.34 -0.61 -0.31 0.00 0.48 0.00 0.00 55.95 55.86 1d7i s SER 67 Cb -0.10 -0.79 -0.15 0.00 0.10 0.00 0.00 66.02 65.09 1d7i s SER 67 CO 0.29 0.05 1.15 0.52 0.98 0.00 0.00 173.24 176.23 1d7i n VAL 68 N -0.42 1.30 0.00 5.02 0.31 -0.65 -1.06 118.33 122.83 1d7i n VAL 68 Ca -0.08 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1d7i n VAL 68 Cb 0.57 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1d7i n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d7i n GLY 69 N 1.75 2.76 3.77 2.92 0.00 0.75 -1.47 105.19 115.67 1d7i n GLY 69 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1d7i n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d7i s GLN 70 N -0.51 4.47 -0.12 1.61 0.74 -0.23 -4.34 119.66 121.28 1d7i s GLN 70 Ca 0.00 1.74 0.03 0.00 0.05 0.00 0.00 55.36 57.18 1d7i s GLN 70 Cb 0.00 -2.99 -0.00 0.00 1.10 0.00 0.00 33.01 31.12 1d7i s GLN 70 CO 0.00 0.08 -0.21 0.50 -0.55 0.00 0.00 175.29 175.11 1d7i s ARG 71 N -1.78 3.13 0.10 1.67 3.52 -0.54 -0.69 118.95 124.35 1d7i s ARG 71 Ca 0.49 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 55.20 1d7i s ARG 71 Cb -0.29 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1d7i s ARG 71 CO 0.38 0.14 0.15 0.00 -0.81 0.00 0.00 175.30 175.15 1d7i s ALA 72 N 0.46 0.07 -0.28 6.12 0.00 0.54 -1.12 121.76 127.56 1d7i s ALA 72 Ca -0.14 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1d7i s ALA 72 Cb -0.17 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 1d7i s ALA 72 CO 0.06 -0.50 0.15 0.21 0.00 0.00 0.00 175.76 175.67 1d7i s LYS 73 N -3.91 3.67 -0.21 0.00 2.20 0.56 -1.08 119.74 120.98 1d7i s LYS 73 Ca 0.09 -0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 55.13 1d7i s LYS 73 Cb 0.05 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1d7i s LYS 73 CO -0.08 -0.26 0.11 -0.51 -0.36 0.00 0.00 175.35 174.25 1d7i s LEU 74 N 1.68 3.90 -0.28 5.43 1.43 0.17 -1.76 118.68 129.25 1d7i s LEU 74 Ca 0.06 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1d7i s LEU 74 Cb -0.16 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1d7i s LEU 74 CO 0.07 0.10 0.05 -0.89 0.23 0.00 0.00 176.35 175.92 1d7i s THR 75 N 0.81 3.77 -0.16 5.49 2.01 -0.51 0.01 115.64 127.06 1d7i s THR 75 Ca 0.05 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1d7i s THR 75 Cb -0.13 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1d7i s THR 75 CO 0.02 0.14 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.29 1d7i s ILE 76 N 1.48 2.45 0.71 1.82 1.01 0.61 -1.00 121.20 128.29 1d7i s ILE 76 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1d7i s ILE 76 Cb -0.17 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.30 1d7i s ILE 76 CO 0.01 0.52 1.09 -0.94 0.00 0.00 0.00 174.94 175.62 1d7i s SER 77 N 0.91 4.92 0.21 3.58 1.04 -1.04 -0.54 113.70 122.78 1d7i s SER 77 Ca -0.04 1.83 -0.12 0.00 0.48 0.00 0.00 55.95 58.10 1d7i s SER 77 Cb -0.15 -2.52 0.28 0.00 0.10 0.00 0.00 66.02 63.72 1d7i s SER 77 CO -0.02 -1.75 1.64 -0.65 0.98 0.00 0.00 173.24 173.43 1d7i h PRO 78 N -0.63 0.05 0.00 4.02 0.11 -1.86 0.65 132.00 134.33 1d7i h PRO 78 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1d7i h PRO 78 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1d7i h PRO 78 CO 0.53 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1d7i n ASP 79 N -5.36 0.56 -0.59 -2.05 5.75 -1.26 -1.24 116.55 112.36 1d7i n ASP 79 Ca 0.09 0.75 0.06 0.00 -0.01 0.00 0.00 54.79 55.67 1d7i n ASP 79 Cb 0.35 -0.83 0.11 0.00 -1.03 0.00 0.00 41.12 39.73 1d7i n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1d7i n TYR 80 N -2.24 0.28 0.00 2.11 4.02 0.18 -4.85 117.16 116.67 1d7i n TYR 80 Ca -0.01 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1d7i n TYR 80 Cb 0.05 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1d7i n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1d7i n ALA 81 N 0.61 0.00 -0.21 -0.72 0.00 -0.37 -1.06 120.51 118.76 1d7i n ALA 81 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1d7i n ALA 81 Cb 0.38 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.03 1d7i n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1d7i n TYR 82 N 0.00 0.61 -4.58 0.00 4.02 -1.19 -4.77 117.16 111.26 1d7i n TYR 82 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 1d7i n TYR 82 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1d7i n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1d7i n GLY 83 N 0.89 0.04 0.19 2.72 0.00 -0.61 -1.54 105.19 106.88 1d7i n GLY 83 Ca 0.16 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1d7i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d7i h ALA 84 N -0.58 0.27 0.00 4.61 0.00 -1.95 -1.67 119.26 119.94 1d7i h ALA 84 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1d7i h ALA 84 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1d7i h ALA 84 CO 0.00 0.72 -0.29 1.79 0.00 0.00 0.00 179.25 181.47 1d7i h THR 85 N 0.38 0.65 0.00 0.00 1.35 -1.93 -3.34 112.91 110.01 1d7i h THR 85 Ca -0.09 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1d7i h THR 85 Cb 1.57 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1d7i h THR 85 CO 0.18 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 1d7i n GLY 86 N 0.36 2.48 2.51 5.82 0.00 -0.59 -4.09 105.19 111.68 1d7i n GLY 86 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1d7i n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1d7i s HIS 87 N 0.00 0.39 -0.14 1.61 5.04 0.22 -4.85 115.29 117.56 1d7i s HIS 87 Ca 0.00 -1.75 -0.33 0.00 -1.54 0.00 0.00 55.06 51.44 1d7i s HIS 87 Cb 0.00 -0.63 -0.16 0.00 0.04 0.00 0.00 32.58 31.83 1d7i s HIS 87 CO 0.00 -0.93 0.99 -2.30 -2.34 0.00 0.00 174.74 170.16 1d7i n PRO 88 N 3.18 0.00 0.00 2.88 -0.02 -1.25 -0.66 135.00 139.13 1d7i n PRO 88 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1d7i n PRO 88 Cb 0.48 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1d7i n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d7i n GLY 89 N 1.87 2.81 1.08 -1.23 0.00 -1.26 -4.78 105.19 103.69 1d7i n GLY 89 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1d7i n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1d7i n ILE 90 N 0.00 0.31 -4.11 -0.61 5.41 0.17 -5.05 119.36 115.48 1d7i n ILE 90 Ca 0.00 0.10 -0.33 0.00 1.00 0.00 0.00 62.75 63.52 1d7i n ILE 90 Cb 0.00 -1.46 -0.16 0.00 -0.71 0.00 0.00 39.64 37.31 1d7i n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1d7i s ILE 91 N -2.00 2.04 1.13 1.39 1.01 -0.14 -4.99 121.20 119.64 1d7i s ILE 91 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 1d7i s ILE 91 Cb 0.00 -1.85 0.26 0.00 0.01 0.00 0.00 42.46 40.88 1d7i s ILE 91 CO 0.00 0.52 1.01 -2.65 0.00 0.00 0.00 174.94 173.82 1d7i n PRO 92 N 4.62 -2.13 -2.53 2.79 -0.02 -1.26 -0.61 135.00 135.87 1d7i n PRO 92 Ca -0.21 -0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 60.35 1d7i n PRO 92 Cb 0.50 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1d7i n PRO 92 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1d7i s PRO 93 N -4.41 3.82 -1.42 0.52 0.02 -1.26 -3.72 135.00 128.55 1d7i s PRO 93 Ca 0.68 1.40 -0.08 0.00 0.02 0.00 0.00 61.00 63.02 1d7i s PRO 93 Cb -0.25 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1d7i s PRO 93 CO 0.64 -0.42 0.60 0.72 -0.33 0.00 0.00 177.00 178.21 1d7i n HIS 94 N -0.87 -1.94 -3.31 6.54 8.25 -0.63 -4.95 115.22 118.31 1d7i n HIS 94 Ca 0.09 0.55 -0.38 0.00 -0.26 0.00 0.00 57.72 57.71 1d7i n HIS 94 Cb 0.52 -3.71 -0.06 0.00 1.12 0.00 0.00 29.99 27.86 1d7i n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1d7i s ALA 95 N -3.07 3.54 -0.27 -1.41 0.00 -1.24 -4.80 121.76 114.51 1d7i s ALA 95 Ca 0.39 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 1d7i s ALA 95 Cb -0.19 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1d7i s ALA 95 CO 0.48 0.21 0.51 0.99 0.00 0.00 0.00 175.76 177.95 1d7i s THR 96 N -0.22 5.07 0.17 0.00 2.01 -1.26 -3.39 115.64 118.01 1d7i s THR 96 Ca 0.28 0.85 0.01 0.00 0.31 0.00 0.00 61.69 63.14 1d7i s THR 96 Cb -0.17 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1d7i s THR 96 CO 0.14 0.07 0.32 -0.76 -0.69 0.00 0.00 174.62 173.71 1d7i s LEU 97 N 2.31 4.30 -0.11 4.42 1.43 0.30 -3.52 118.68 127.81 1d7i s LEU 97 Ca 0.21 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1d7i s LEU 97 Cb -0.16 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.08 1d7i s LEU 97 CO 0.09 0.02 -0.14 -0.69 0.23 0.00 0.00 176.35 175.86 1d7i s VAL 98 N -1.79 1.41 -0.05 -1.59 1.01 -0.66 -0.28 120.40 118.45 1d7i s VAL 98 Ca 0.36 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1d7i s VAL 98 Cb -0.11 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1d7i s VAL 98 CO 0.29 0.43 -0.21 -0.36 0.00 0.00 0.00 175.10 175.24 1d7i s PHE 99 N 1.05 2.08 -0.46 5.22 0.40 0.10 -0.54 117.98 125.83 1d7i s PHE 99 Ca -0.06 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 1d7i s PHE 99 Cb -0.15 -1.37 0.10 0.00 0.51 0.00 0.00 43.02 42.11 1d7i s PHE 99 CO -0.02 -0.19 0.35 0.34 0.70 0.00 0.00 175.22 176.40 1d7i s ASP 100 N -0.09 5.84 -0.08 1.36 -1.08 -0.63 0.45 116.67 122.44 1d7i s ASP 100 Ca -0.03 -1.62 0.03 0.00 -0.52 0.00 0.00 52.55 50.40 1d7i s ASP 100 Cb -0.12 -2.07 -0.02 0.00 -1.46 0.00 0.00 42.92 39.25 1d7i s ASP 100 CO 0.03 -0.65 -0.16 -0.69 0.52 0.00 0.00 175.17 174.22 1d7i s VAL 101 N 1.48 2.86 -0.16 1.11 1.01 -0.24 -1.98 120.40 124.48 1d7i s VAL 101 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1d7i s VAL 101 Cb -0.25 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1d7i s VAL 101 CO 0.02 0.56 -0.20 -0.70 0.00 0.00 0.00 175.10 174.79 1d7i s GLU 102 N -0.26 2.89 -0.54 2.72 2.12 -0.56 -0.34 118.70 124.73 1d7i s GLU 102 Ca 0.01 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.29 1d7i s GLU 102 Cb -0.13 -2.43 0.04 0.00 0.26 0.00 0.00 34.13 31.87 1d7i s GLU 102 CO 0.03 -0.12 1.00 -1.17 -0.54 0.00 0.00 175.26 174.46 1d7i s LEU 103 N 1.09 3.92 0.07 2.70 2.96 0.14 -2.21 118.68 127.34 1d7i s LEU 103 Ca -0.01 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1d7i s LEU 103 Cb -0.14 -3.00 -0.27 0.00 0.50 0.00 0.00 46.19 43.28 1d7i s LEU 103 CO -0.07 -1.25 1.13 -0.07 -1.32 0.00 0.00 176.35 174.76 1d7i h LEU 104 N 11.13 0.73 -7.51 -0.68 3.38 -0.98 0.21 115.31 121.59 1d7i h LEU 104 Ca -0.25 -0.70 0.33 0.00 0.09 0.00 0.00 57.88 57.35 1d7i h LEU 104 Cb 1.07 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1d7i h LEU 104 CO 1.10 1.52 0.86 -1.59 0.09 0.00 0.00 178.44 180.41 1d7i s LYS 105 N -2.91 0.40 -0.07 1.13 -2.85 -1.21 -4.59 119.74 109.66 1d7i s LYS 105 Ca -0.08 -0.24 0.02 0.00 -1.00 0.00 0.00 55.97 54.67 1d7i s LYS 105 Cb 0.06 0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1d7i s LYS 105 CO 0.92 -0.19 -0.12 -0.51 0.10 0.00 0.00 175.35 175.55 1d7i s LEU 106 N -3.30 1.62 0.00 2.77 1.43 -1.26 -1.73 118.68 118.21 1d7i s LEU 106 Ca 0.20 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1d7i s LEU 106 Cb 0.03 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.49 1d7i s LEU 106 CO -0.03 0.03 0.71 -0.62 0.23 0.00 0.00 176.35 176.67