#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 3.47 -0.12 1.61 0.11 -1.26 -2.56 120.40 121.65 1d7i s VAL 2 Ca 0.00 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1d7i s VAL 2 Cb 0.00 -2.61 0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1d7i s VAL 2 CO 0.00 0.15 -0.17 -1.58 -3.33 0.00 0.00 175.10 170.18 1d7i s GLN 3 N -2.10 2.39 -0.18 1.54 0.74 -0.02 -4.96 119.66 117.07 1d7i s GLN 3 Ca 0.21 -0.62 -0.05 0.00 0.05 0.00 0.00 55.36 54.95 1d7i s GLN 3 Cb -0.11 -2.02 -0.03 0.00 1.10 0.00 0.00 33.01 31.95 1d7i s GLN 3 CO 0.13 -0.06 0.00 0.08 -0.55 0.00 0.00 175.29 174.89 1d7i s VAL 4 N 0.98 4.11 -0.14 1.34 1.01 -1.26 -1.18 120.40 125.26 1d7i s VAL 4 Ca -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1d7i s VAL 4 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1d7i s VAL 4 CO -0.02 0.46 -0.14 -1.61 0.00 0.00 0.00 175.10 173.79 1d7i s GLU 5 N 0.65 2.23 0.26 2.72 2.02 -0.56 -4.97 118.70 121.04 1d7i s GLU 5 Ca -0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 1d7i s GLU 5 Cb -0.14 -2.03 -0.10 0.00 0.10 0.00 0.00 34.13 31.97 1d7i s GLU 5 CO 0.02 -0.21 1.31 0.99 0.02 0.00 0.00 175.26 177.40 1d7i s THR 6 N 1.42 2.96 -0.18 3.63 2.01 -1.26 -0.72 115.64 123.50 1d7i s THR 6 Ca 0.03 0.86 -0.00 0.00 0.31 0.00 0.00 61.69 62.89 1d7i s THR 6 Cb -0.13 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 1d7i s THR 6 CO -0.09 0.16 -0.17 -0.38 -0.69 0.00 0.00 174.62 173.45 1d7i n ILE 7 N 1.81 1.02 -3.69 1.82 5.41 0.19 -4.87 119.36 121.05 1d7i n ILE 7 Ca 0.03 -0.37 -0.11 0.00 1.00 0.00 0.00 62.75 63.31 1d7i n ILE 7 Cb 0.42 -1.23 -0.11 0.00 -0.71 0.00 0.00 39.64 38.01 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 -5.88 -0.41 0.58 4.38 0.15 -0.70 -5.00 113.70 106.83 1d7i s SER 8 Ca -0.24 0.84 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 1d7i s SER 8 Cb 0.07 0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1d7i s SER 8 CO 0.40 -0.20 1.33 -2.16 1.20 0.00 0.00 173.24 173.81 1d7i s PRO 9 N 1.59 2.97 0.00 5.44 0.04 -1.26 -1.00 135.00 142.77 1d7i s PRO 9 Ca -0.08 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1d7i s PRO 9 Cb -0.09 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1d7i s PRO 9 CO -0.12 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1d7i n GLY 10 N 0.76 1.70 0.03 0.56 0.00 -1.26 -4.25 105.19 102.74 1d7i n GLY 10 Ca 0.12 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.39 0.15 0.00 1.61 3.85 -0.14 -4.82 116.55 116.81 1d7i n ASP 11 Ca 0.00 0.54 0.00 0.00 -0.71 0.00 0.00 54.79 54.62 1d7i n ASP 11 Cb 0.00 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.20 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 -0.15 0.42 0.00 6.12 0.00 -1.26 -4.77 105.19 105.55 1d7i n GLY 12 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.87 4.82 -3.36 1.61 1.85 -1.26 -5.02 116.66 113.43 1d7i n ARG 13 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 1d7i n ARG 13 Cb 0.12 -0.40 -0.06 0.00 -1.05 0.00 0.00 32.46 31.07 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 0.00 5.01 -0.08 8.89 2.01 -1.26 -5.04 115.64 125.17 1d7i s THR 14 Ca 0.00 -1.59 -0.04 0.00 0.31 0.00 0.00 61.69 60.37 1d7i s THR 14 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1d7i s THR 14 CO 0.00 -0.86 0.09 -0.36 -0.69 0.00 0.00 174.62 172.81 1d7i s PHE 15 N 1.51 3.41 0.40 4.92 0.08 -1.26 -1.44 117.98 125.59 1d7i s PHE 15 Ca 0.04 0.35 -0.26 0.00 0.12 0.00 0.00 56.93 57.18 1d7i s PHE 15 Cb -0.29 -1.84 -0.09 0.00 -0.57 0.00 0.00 43.02 40.23 1d7i s PHE 15 CO 0.02 0.62 1.27 -2.14 -0.10 0.00 0.00 175.22 174.89 1d7i s PRO 16 N -1.22 4.00 0.21 0.24 0.02 -1.26 -5.03 135.00 131.95 1d7i s PRO 16 Ca 0.17 2.09 0.11 0.00 0.02 0.00 0.00 61.00 63.40 1d7i s PRO 16 Cb -0.12 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1d7i s PRO 16 CO 0.07 -0.44 -0.23 0.15 -0.33 0.00 0.00 177.00 176.21 1d7i s LYS 17 N -2.23 1.56 0.16 5.54 -0.14 -1.26 -4.86 119.74 118.51 1d7i s LYS 17 Ca 0.57 -1.55 -0.33 0.00 -1.36 0.00 0.00 55.97 53.29 1d7i s LYS 17 Cb -0.37 -1.84 -0.16 0.00 -1.68 0.00 0.00 37.83 33.78 1d7i s LYS 17 CO 0.47 0.39 1.18 0.54 -0.76 0.00 0.00 175.35 177.17 1d7i n ARG 18 N 0.13 1.16 0.00 1.68 3.00 -1.26 -1.65 116.66 119.73 1d7i n ARG 18 Ca -0.11 0.41 0.00 0.00 -0.01 0.00 0.00 57.85 58.14 1d7i n ARG 18 Cb 0.57 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 31.10 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 2.06 1.31 3.87 -0.13 0.00 0.24 -4.99 105.19 107.56 1d7i n GLY 19 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.68 3.80 -0.29 1.61 -0.21 -0.66 -4.79 119.66 118.44 1d7i s GLN 20 Ca 0.00 0.43 -0.14 0.00 0.02 0.00 0.00 55.36 55.67 1d7i s GLN 20 Cb 0.00 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 1d7i s GLN 20 CO 0.00 0.05 0.32 0.99 -2.12 0.00 0.00 175.29 174.54 1d7i s THR 21 N -2.23 5.21 -0.09 -0.19 2.01 -0.20 -0.57 115.64 119.58 1d7i s THR 21 Ca 0.51 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.66 1d7i s THR 21 Cb -0.10 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1d7i s THR 21 CO 0.28 0.11 0.43 0.00 -0.69 0.00 0.00 174.62 174.75 1d7i s VAL 23 N 0.07 3.62 0.23 0.00 1.01 -0.97 -2.12 120.40 122.24 1d7i s VAL 23 Ca 0.24 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1d7i s VAL 23 Cb -0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1d7i s VAL 23 CO 0.10 0.02 0.00 0.68 0.00 0.00 0.00 175.10 175.91 1d7i s VAL 24 N 1.42 0.97 0.02 2.92 -7.23 -0.00 -0.82 120.40 117.68 1d7i s VAL 24 Ca 0.00 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 1d7i s VAL 24 Cb -0.18 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 1d7i s VAL 24 CO 0.01 -0.31 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.25 1d7i s HIS 25 N -3.46 2.11 0.25 2.82 3.76 -0.81 -0.39 115.29 119.57 1d7i s HIS 25 Ca 0.29 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 1d7i s HIS 25 Cb 0.06 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 1d7i s HIS 25 CO 0.09 0.06 0.50 1.52 -0.85 0.00 0.00 174.74 176.05 1d7i s TYR 26 N -0.71 0.36 -0.14 1.40 -0.85 -1.26 -1.19 117.35 114.96 1d7i s TYR 26 Ca 0.10 -0.72 -0.06 0.00 -0.52 0.00 0.00 57.07 55.87 1d7i s TYR 26 Cb -0.09 0.22 0.06 0.00 0.38 0.00 0.00 41.96 42.53 1d7i s TYR 26 CO 0.01 -1.02 0.29 0.99 -1.52 0.00 0.00 175.55 174.30 1d7i s THR 27 N -3.95 -0.35 -0.02 -3.49 2.01 -0.76 -2.29 115.64 106.79 1d7i s THR 27 Ca 0.22 0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 1d7i s THR 27 Cb -0.01 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1d7i s THR 27 CO 0.09 0.09 0.28 -0.83 -0.69 0.00 0.00 174.62 173.57 1d7i s GLY 28 N 2.15 2.29 0.05 4.40 0.00 -0.26 -1.55 107.32 114.40 1d7i s GLY 28 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1d7i s GLY 28 CO -0.09 -0.23 -0.04 1.06 0.00 0.00 0.00 173.10 173.79 1d7i s MET 29 N -1.41 0.53 0.41 2.90 -1.94 0.15 -1.65 119.30 118.29 1d7i s MET 29 Ca 0.24 -0.97 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1d7i s MET 29 Cb -0.14 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 1d7i s MET 29 CO 0.12 -0.06 0.61 -0.51 -0.01 0.00 0.00 175.02 175.18 1d7i s LEU 30 N -2.28 3.75 0.56 -0.03 1.43 -0.10 -1.84 118.68 120.16 1d7i s LEU 30 Ca -0.02 0.17 0.41 0.00 -1.03 0.00 0.00 54.13 53.66 1d7i s LEU 30 Cb -0.01 -3.06 1.57 0.00 0.03 0.00 0.00 46.19 44.73 1d7i s LEU 30 CO -0.05 -0.61 1.66 -0.33 0.23 0.00 0.00 176.35 177.25 1d7i h GLU 31 N 0.55 0.00 0.00 1.70 5.08 -1.90 0.45 114.58 120.45 1d7i h GLU 31 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1d7i h GLU 31 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1d7i h GLU 31 CO 0.56 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 178.95 1d7i h ASP 32 N 0.00 0.00 0.00 1.42 2.03 -1.93 -3.47 116.42 114.48 1d7i h ASP 32 Ca 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.00 1d7i h ASP 32 Cb 2.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.42 1d7i h ASP 32 CO -0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.81 1d7i n GLY 33 N 0.58 0.68 3.71 7.15 0.00 0.16 -5.07 105.19 112.39 1d7i n GLY 33 Ca 0.03 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 -0.84 4.56 0.37 1.61 2.20 -1.25 -4.79 119.74 121.60 1d7i s LYS 34 Ca 0.00 1.40 -0.26 0.00 -0.36 0.00 0.00 55.97 56.75 1d7i s LYS 34 Cb 0.00 -3.46 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1d7i s LYS 34 CO 0.00 -0.04 1.06 0.21 -0.36 0.00 0.00 175.35 176.23 1d7i s LYS 35 N 0.97 4.29 0.00 4.03 2.20 -1.26 -0.93 119.74 129.04 1d7i s LYS 35 Ca 0.51 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1d7i s LYS 35 Cb -0.21 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1d7i s LYS 35 CO 0.28 -0.05 0.00 1.97 -0.36 0.00 0.00 175.35 177.19 1d7i n PHE 36 N 0.29 0.00 -3.49 4.03 -1.74 -0.66 -4.94 117.46 110.96 1d7i n PHE 36 Ca 0.03 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.76 1d7i n PHE 36 Cb 0.48 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.43 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 -0.72 -0.63 -0.30 5.98 2.15 -1.25 -4.99 116.67 116.92 1d7i s ASP 37 Ca 0.00 0.48 -0.14 0.00 0.43 0.00 0.00 52.55 53.32 1d7i s ASP 37 Cb 0.00 0.56 0.18 0.00 -0.30 0.00 0.00 42.92 43.35 1d7i s ASP 37 CO 0.00 -0.73 1.04 -0.55 -0.17 0.00 0.00 175.17 174.76 1d7i s SER 38 N -1.71 -0.49 0.56 -0.34 0.15 -1.26 -1.11 113.70 109.50 1d7i s SER 38 Ca -0.07 0.46 0.34 0.00 0.70 0.00 0.00 55.95 57.38 1d7i s SER 38 Cb -0.00 1.47 1.46 0.00 -1.71 0.00 0.00 66.02 67.24 1d7i s SER 38 CO 0.02 -0.09 2.02 0.77 1.20 0.00 0.00 173.24 177.16 1d7i h SER 39 N 7.71 0.00 -0.40 5.45 4.64 -1.74 -2.48 113.55 126.73 1d7i h SER 39 Ca -0.15 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.08 1d7i h SER 39 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1d7i h SER 39 CO -0.00 0.02 -0.13 0.03 -0.87 0.00 0.00 176.83 175.89 1d7i h ARG 40 N 0.00 0.80 -0.32 4.77 3.08 -1.83 -0.51 114.38 120.38 1d7i h ARG 40 Ca -0.00 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 1d7i h ARG 40 Cb 0.46 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1d7i h ARG 40 CO 0.00 0.94 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.28 1d7i h ASP 41 N 0.61 0.53 0.86 7.04 3.45 -1.78 -0.89 116.42 126.23 1d7i h ASP 41 Ca 0.10 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1d7i h ASP 41 Cb 0.66 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1d7i h ASP 41 CO 0.05 0.68 -0.03 0.54 -1.57 0.00 0.00 179.24 178.91 1d7i n ARG 42 N -4.19 0.11 -3.87 3.56 1.74 -1.12 -4.92 116.66 107.97 1d7i n ARG 42 Ca 0.01 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1d7i n ARG 42 Cb 0.33 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.44 -4.32 -3.68 0.55 5.15 -0.25 -4.97 115.26 106.31 1d7i n ASN 43 Ca 0.09 -0.78 -0.11 0.00 -0.60 0.00 0.00 54.58 53.18 1d7i n ASN 43 Cb 0.32 -3.96 -0.12 0.00 -0.53 0.00 0.00 39.78 35.49 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 -6.52 0.26 0.54 1.20 2.47 -0.92 -5.05 119.74 111.72 1d7i s LYS 44 Ca 0.56 0.81 -0.20 0.00 -1.56 0.00 0.00 55.97 55.58 1d7i s LYS 44 Cb -0.28 0.07 -0.06 0.00 -1.46 0.00 0.00 37.83 36.10 1d7i s LYS 44 CO 0.82 -0.23 1.14 -2.14 0.16 0.00 0.00 175.35 175.10 1d7i s PRO 45 N 2.11 3.37 -0.00 4.03 0.02 -1.26 -4.64 135.00 138.62 1d7i s PRO 45 Ca -0.03 1.64 -0.10 0.00 0.02 0.00 0.00 61.00 62.53 1d7i s PRO 45 Cb -0.11 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 1d7i s PRO 45 CO -0.11 -0.84 0.32 0.12 -0.33 0.00 0.00 177.00 176.16 1d7i s PHE 46 N -1.74 3.63 -0.01 6.54 2.19 0.47 -4.90 117.98 124.17 1d7i s PHE 46 Ca 0.72 0.75 0.06 0.00 0.33 0.00 0.00 56.93 58.79 1d7i s PHE 46 Cb -0.25 -2.11 -0.02 0.00 -1.31 0.00 0.00 43.02 39.33 1d7i s PHE 46 CO 0.28 0.63 -0.19 0.15 1.83 0.00 0.00 175.22 177.91 1d7i s LYS 47 N -1.44 1.54 -0.10 10.12 1.02 -1.26 -0.82 119.74 128.79 1d7i s LYS 47 Ca 0.25 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.32 1d7i s LYS 47 Cb -0.14 -1.50 0.05 0.00 -0.52 0.00 0.00 37.83 35.71 1d7i s LYS 47 CO 0.13 0.41 0.49 -0.59 -0.92 0.00 0.00 175.35 174.87 1d7i s PHE 48 N -0.49 -0.46 -0.18 3.18 -0.12 -0.90 -4.98 117.98 114.02 1d7i s PHE 48 Ca 0.07 0.95 -0.21 0.00 -0.05 0.00 0.00 56.93 57.69 1d7i s PHE 48 Cb -0.08 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 1d7i s PHE 48 CO -0.00 -0.40 0.64 1.41 -0.05 0.00 0.00 175.22 176.82 1d7i s MET 49 N -0.62 4.25 0.19 1.99 -2.45 -1.26 -1.04 119.30 120.36 1d7i s MET 49 Ca -0.07 0.67 -0.31 0.00 -1.25 0.00 0.00 55.69 54.72 1d7i s MET 49 Cb -0.03 -3.56 -0.10 0.00 1.25 0.00 0.00 34.83 32.39 1d7i s MET 49 CO 0.04 -0.19 1.55 -1.17 1.05 0.00 0.00 175.02 176.30 1d7i s LEU 50 N 1.74 4.37 0.00 4.11 2.96 0.27 -2.61 118.68 129.51 1d7i s LEU 50 Ca 0.30 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.88 1d7i s LEU 50 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1d7i s LEU 50 CO 0.11 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 1d7i n GLY 51 N 3.31 3.34 0.78 7.98 0.00 -1.26 -0.59 105.19 118.75 1d7i n GLY 51 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 2.02 -2.86 1.61 4.76 -1.07 -4.91 118.16 115.71 1d7i n LYS 52 Ca 0.00 -0.95 -0.13 0.00 -2.87 0.00 0.00 58.31 54.36 1d7i n LYS 52 Cb 0.00 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 31.61 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 0.19 -2.65 -0.11 1.97 6.02 -1.26 -4.82 117.38 116.72 1d7i n GLN 53 Ca 0.09 0.29 0.10 0.00 -0.01 0.00 0.00 57.00 57.46 1d7i n GLN 53 Cb 0.44 -4.87 0.32 0.00 1.02 0.00 0.00 30.24 27.15 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 -3.00 1.80 -4.17 -1.09 0.28 -1.26 -4.85 120.64 108.35 1d7i n GLU 54 Ca -0.03 -1.21 -0.11 0.00 -0.16 0.00 0.00 57.16 55.64 1d7i n GLU 54 Cb 0.54 -1.38 -0.10 0.00 1.43 0.00 0.00 31.44 31.93 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 -1.71 0.02 0.73 3.84 -7.23 -1.26 -5.08 120.40 109.71 1d7i s VAL 55 Ca 0.31 -1.92 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 1d7i s VAL 55 Cb 0.17 -2.37 0.04 0.00 0.56 0.00 0.00 36.38 34.78 1d7i s VAL 55 CO 0.24 -0.10 1.19 0.27 -0.31 0.00 0.00 175.10 176.40 1d7i s ILE 56 N -4.12 2.39 0.24 -0.62 -4.36 -1.26 -4.82 121.20 108.64 1d7i s ILE 56 Ca 0.34 0.19 -0.05 0.00 -0.26 0.00 0.00 60.65 60.87 1d7i s ILE 56 Cb 0.06 -2.72 0.21 0.00 1.25 0.00 0.00 42.46 41.26 1d7i s ILE 56 CO 0.09 -0.11 1.72 -0.09 0.24 0.00 0.00 174.94 176.80 1d7i h ARG 57 N -0.36 0.38 -0.63 0.37 2.43 -1.84 -1.64 114.38 113.07 1d7i h ARG 57 Ca -0.47 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.81 1d7i h ARG 57 Cb 1.29 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1d7i h ARG 57 CO 0.50 0.25 0.43 0.78 -1.51 0.00 0.00 179.97 180.42 1d7i h GLY 58 N 0.39 0.40 1.09 2.80 0.00 -1.48 -1.39 103.07 104.87 1d7i h GLY 58 Ca 0.40 -0.11 -0.26 0.00 0.00 0.00 0.00 47.33 47.36 1d7i h GLY 58 CO -0.42 0.04 -1.10 1.49 0.00 0.00 0.00 176.54 176.56 1d7i h TRP 59 N 0.25 0.90 0.00 5.60 4.06 -1.58 -1.15 115.95 124.03 1d7i h TRP 59 Ca 0.30 -0.57 -0.05 0.00 2.06 0.00 0.00 58.89 60.64 1d7i h TRP 59 Cb 0.85 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.93 1d7i h TRP 59 CO -0.00 1.41 -0.22 0.93 -3.56 0.00 0.00 178.44 177.00 1d7i h GLU 60 N 0.13 0.00 0.03 0.49 5.08 -1.08 -0.35 114.58 118.88 1d7i h GLU 60 Ca -0.17 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.86 1d7i h GLU 60 Cb 1.80 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.00 1d7i h GLU 60 CO 0.21 0.22 -1.99 0.39 -1.00 0.00 0.00 179.01 176.84 1d7i n GLU 61 N -4.03 0.67 -0.01 2.33 1.02 -0.61 -3.79 120.64 116.22 1d7i n GLU 61 Ca -0.02 0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 57.16 1d7i n GLU 61 Cb 0.30 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1d7i n GLU 61 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1d7i h GLY 62 N 2.96 0.25 2.00 0.62 0.00 -1.15 -3.25 103.07 104.50 1d7i h GLY 62 Ca -0.40 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1d7i h GLY 62 CO 0.05 0.43 0.00 -2.08 0.00 0.00 0.00 176.54 174.95 1d7i h VAL 63 N -0.47 0.00 0.00 4.60 2.07 -1.27 -2.04 116.25 119.15 1d7i h VAL 63 Ca -0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1d7i h VAL 63 Cb 1.20 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1d7i h VAL 63 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1d7i n ALA 64 N -2.08 2.13 0.05 1.67 0.00 -1.23 -2.64 120.51 118.42 1d7i n ALA 64 Ca -0.01 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1d7i n ALA 64 Cb 0.23 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.45 1d7i n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1d7i n GLN 65 N -1.46 2.26 -4.07 0.00 6.02 -0.77 -4.53 117.38 114.83 1d7i n GLN 65 Ca 0.07 -1.97 -0.24 0.00 -0.01 0.00 0.00 57.00 54.84 1d7i n GLN 65 Cb 0.27 -1.34 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 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 -1.09 2.99 0.29 -1.09 -1.94 -1.08 -5.11 119.30 112.28 1d7i s MET 66 Ca 0.27 -0.90 0.10 0.00 -1.71 0.00 0.00 55.69 53.45 1d7i s MET 66 Cb 0.15 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 1d7i s MET 66 CO 0.21 0.46 -0.07 -1.54 -0.01 0.00 0.00 175.02 174.06 1d7i s SER 67 N -3.42 4.07 0.12 3.03 1.04 -1.26 -4.17 113.70 113.10 1d7i s SER 67 Ca 0.32 -0.90 -0.35 0.00 0.48 0.00 0.00 55.95 55.50 1d7i s SER 67 Cb -0.09 -0.54 -0.15 0.00 0.10 0.00 0.00 66.02 65.34 1d7i s SER 67 CO 0.25 -0.06 1.53 0.52 0.98 0.00 0.00 173.24 176.46 1d7i n VAL 68 N -0.81 0.04 0.00 5.02 0.31 -0.52 -1.16 118.33 121.22 1d7i n VAL 68 Ca -0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1d7i n VAL 68 Cb 0.60 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 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 3.24 2.23 3.77 2.92 0.00 0.10 -0.97 105.19 116.48 1d7i n GLY 69 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.71 4.35 -0.15 1.61 0.74 -0.31 -4.44 119.66 120.75 1d7i s GLN 70 Ca 0.00 1.80 0.02 0.00 0.05 0.00 0.00 55.36 57.23 1d7i s GLN 70 Cb 0.00 -2.90 0.01 0.00 1.10 0.00 0.00 33.01 31.21 1d7i s GLN 70 CO 0.00 -0.05 -0.20 0.50 -0.55 0.00 0.00 175.29 174.99 1d7i s ARG 71 N -1.93 3.08 0.15 1.67 3.52 -0.17 -0.82 118.95 124.46 1d7i s ARG 71 Ca 0.51 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1d7i s ARG 71 Cb -0.31 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 1d7i s ARG 71 CO 0.39 -0.02 0.02 0.00 -0.81 0.00 0.00 175.30 174.88 1d7i s ALA 72 N 0.85 1.15 -0.23 6.12 0.00 0.50 -0.63 121.76 129.52 1d7i s ALA 72 Ca -0.06 -1.54 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 1d7i s ALA 72 Cb -0.15 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1d7i s ALA 72 CO -0.02 -0.39 -0.01 0.21 0.00 0.00 0.00 175.76 175.55 1d7i s LYS 73 N -3.97 3.44 -0.15 0.00 2.20 0.11 -1.12 119.74 120.24 1d7i s LYS 73 Ca 0.24 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 55.18 1d7i s LYS 73 Cb 0.07 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1d7i s LYS 73 CO 0.03 -0.20 0.08 -0.51 -0.36 0.00 0.00 175.35 174.39 1d7i s LEU 74 N 1.51 3.99 -0.26 5.43 1.43 0.86 -1.49 118.68 130.14 1d7i s LEU 74 Ca 0.06 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1d7i s LEU 74 Cb -0.15 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.12 1d7i s LEU 74 CO -0.01 0.27 -0.05 -0.89 0.23 0.00 0.00 176.35 175.90 1d7i s THR 75 N -0.19 2.87 -0.14 5.49 2.01 -0.33 -0.71 115.64 124.64 1d7i s THR 75 Ca 0.09 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.93 1d7i s THR 75 Cb -0.12 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 1d7i s THR 75 CO 0.01 0.09 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.23 1d7i s ILE 76 N 1.29 2.48 0.52 1.82 1.01 0.40 -0.84 121.20 127.88 1d7i s ILE 76 Ca -0.02 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 1d7i s ILE 76 Cb -0.18 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.20 1d7i s ILE 76 CO -0.03 0.53 1.04 -0.94 0.00 0.00 0.00 174.94 175.54 1d7i s SER 77 N 0.71 6.18 0.28 3.58 1.04 -1.06 -0.98 113.70 123.45 1d7i s SER 77 Ca -0.08 1.90 -0.06 0.00 0.48 0.00 0.00 55.95 58.19 1d7i s SER 77 Cb -0.16 -2.55 0.53 0.00 0.10 0.00 0.00 66.02 63.94 1d7i s SER 77 CO 0.01 -0.89 1.57 -0.65 0.98 0.00 0.00 173.24 174.26 1d7i h PRO 78 N 1.23 0.00 -0.01 4.02 0.11 -1.87 0.40 132.00 135.88 1d7i h PRO 78 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1d7i h PRO 78 Cb 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1d7i h PRO 78 CO 0.59 0.00 0.07 0.38 -0.21 0.00 0.00 178.00 178.83 1d7i h ASP 79 N 0.00 0.00 -0.10 -2.05 2.03 -1.89 -0.62 116.42 113.79 1d7i h ASP 79 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1d7i h ASP 79 Cb 0.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1d7i h ASP 79 CO -0.97 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.02 1d7i n TYR 80 N -3.16 0.11 0.00 4.15 4.02 0.14 -4.82 117.16 117.60 1d7i n TYR 80 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1d7i n TYR 80 Cb 0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 1.14 0.00 -0.64 -0.72 0.00 -0.34 -1.15 120.51 118.80 1d7i n ALA 81 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.65 1d7i n ALA 81 Cb 0.50 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.23 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 1.06 -4.73 0.00 4.02 -1.19 -4.78 117.16 111.54 1d7i n TYR 82 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 1d7i n TYR 82 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 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 0.40 0.55 0.12 2.72 0.00 -0.60 -1.35 105.19 107.03 1d7i n GLY 83 Ca 0.21 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.73 0.13 0.00 4.61 0.00 -1.96 -2.06 119.26 119.26 1d7i h ALA 84 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1d7i h ALA 84 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1d7i h ALA 84 CO 0.00 0.89 -0.08 1.79 0.00 0.00 0.00 179.25 181.85 1d7i h THR 85 N 0.13 0.16 0.00 0.00 1.35 -1.95 -3.34 112.91 109.26 1d7i h THR 85 Ca -0.14 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1d7i h THR 85 Cb 1.89 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1d7i h THR 85 CO 0.20 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 1d7i n GLY 86 N 0.79 1.47 2.42 5.82 0.00 -0.46 -4.08 105.19 111.16 1d7i n GLY 86 Ca 0.03 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 0.90 0.01 1.61 5.04 0.23 -4.86 115.29 118.22 1d7i s HIS 87 Ca 0.00 -2.02 -0.35 0.00 -1.54 0.00 0.00 55.06 51.15 1d7i s HIS 87 Cb 0.00 -0.89 -0.18 0.00 0.04 0.00 0.00 32.58 31.55 1d7i s HIS 87 CO 0.00 -0.83 0.93 -2.30 -2.34 0.00 0.00 174.74 170.19 1d7i n PRO 88 N 3.34 0.00 0.00 2.88 -0.02 -1.25 -0.64 135.00 139.31 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 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.34 3.07 1.25 -1.23 0.00 -1.26 -4.74 105.19 103.62 1d7i n GLY 89 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.34 0.47 -4.06 -0.61 5.41 -0.25 -5.05 119.36 114.93 1d7i n ILE 90 Ca 0.00 0.16 -0.33 0.00 1.00 0.00 0.00 62.75 63.57 1d7i n ILE 90 Cb 0.00 -1.31 -0.15 0.00 -0.71 0.00 0.00 39.64 37.47 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 2.37 0.82 1.39 1.01 0.19 -4.98 121.20 120.00 1d7i s ILE 91 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 1d7i s ILE 91 Cb 0.00 -2.11 0.09 0.00 0.01 0.00 0.00 42.46 40.45 1d7i s ILE 91 CO 0.00 0.38 1.17 -2.65 0.00 0.00 0.00 174.94 173.84 1d7i n PRO 92 N 4.62 0.12 -2.16 2.79 -0.02 -1.26 -0.60 135.00 138.48 1d7i n PRO 92 Ca -0.19 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1d7i n PRO 92 Cb 0.48 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 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 -4.12 3.21 -1.54 0.52 0.02 -1.26 -3.44 135.00 128.40 1d7i s PRO 93 Ca 0.72 1.70 -0.14 0.00 0.02 0.00 0.00 61.00 63.31 1d7i s PRO 93 Cb -0.29 -1.98 0.09 0.00 0.02 0.00 0.00 34.50 32.34 1d7i s PRO 93 CO 0.52 -0.98 0.95 0.72 -0.33 0.00 0.00 177.00 177.88 1d7i n HIS 94 N -1.40 -2.26 -3.40 6.54 8.25 -0.78 -4.94 115.22 117.23 1d7i n HIS 94 Ca 0.12 0.88 -0.38 0.00 -0.26 0.00 0.00 57.72 58.08 1d7i n HIS 94 Cb 0.50 -3.90 -0.06 0.00 1.12 0.00 0.00 29.99 27.66 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 -3.28 3.57 -0.28 -1.41 0.00 -1.22 -4.83 121.76 114.31 1d7i s ALA 95 Ca 0.66 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 1d7i s ALA 95 Cb -0.33 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1d7i s ALA 95 CO 0.81 0.21 0.45 0.99 0.00 0.00 0.00 175.76 178.22 1d7i s THR 96 N -0.10 5.10 0.06 0.00 2.01 -1.26 -3.40 115.64 118.05 1d7i s THR 96 Ca 0.24 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1d7i s THR 96 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1d7i s THR 96 CO 0.11 0.05 0.19 -0.76 -0.69 0.00 0.00 174.62 173.52 1d7i s LEU 97 N 2.22 4.27 -0.15 4.42 1.43 -0.15 -3.47 118.68 127.26 1d7i s LEU 97 Ca 0.18 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1d7i s LEU 97 Cb -0.16 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.22 1d7i s LEU 97 CO 0.10 0.18 -0.19 -0.69 0.23 0.00 0.00 176.35 175.98 1d7i s VAL 98 N -1.48 1.90 -0.04 -1.59 1.01 -0.77 -0.45 120.40 118.98 1d7i s VAL 98 Ca 0.34 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1d7i s VAL 98 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1d7i s VAL 98 CO 0.26 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.33 1d7i s PHE 99 N 1.10 2.54 -0.48 5.22 0.40 0.11 -0.68 117.98 126.19 1d7i s PHE 99 Ca -0.01 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.91 1d7i s PHE 99 Cb -0.14 -1.59 0.12 0.00 0.51 0.00 0.00 43.02 41.93 1d7i s PHE 99 CO -0.07 0.06 0.35 0.34 0.70 0.00 0.00 175.22 176.60 1d7i s ASP 100 N -0.60 5.69 -0.11 1.36 -1.08 -0.59 -0.10 116.67 121.23 1d7i s ASP 100 Ca 0.09 -1.99 -0.00 0.00 -0.52 0.00 0.00 52.55 50.13 1d7i s ASP 100 Cb -0.11 -2.00 -0.02 0.00 -1.46 0.00 0.00 42.92 39.33 1d7i s ASP 100 CO 0.00 -0.67 -0.09 -0.69 0.52 0.00 0.00 175.17 174.24 1d7i s VAL 101 N 1.25 3.44 -0.16 1.11 1.01 -0.27 -1.83 120.40 124.95 1d7i s VAL 101 Ca 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1d7i s VAL 101 Cb -0.25 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1d7i s VAL 101 CO -0.01 0.54 -0.21 -0.70 0.00 0.00 0.00 175.10 174.72 1d7i s GLU 102 N -0.03 2.98 -0.55 2.72 2.12 -0.33 -0.37 118.70 125.23 1d7i s GLU 102 Ca -0.01 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.25 1d7i s GLU 102 Cb -0.14 -2.49 0.04 0.00 0.26 0.00 0.00 34.13 31.81 1d7i s GLU 102 CO 0.03 -0.12 0.93 -1.17 -0.54 0.00 0.00 175.26 174.39 1d7i s LEU 103 N 1.08 4.16 0.11 2.70 2.96 0.00 -1.93 118.68 127.77 1d7i s LEU 103 Ca -0.00 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1d7i s LEU 103 Cb -0.14 -2.79 -0.18 0.00 0.50 0.00 0.00 46.19 43.58 1d7i s LEU 103 CO -0.08 -1.22 1.24 -0.07 -1.32 0.00 0.00 176.35 174.90 1d7i h LEU 104 N 10.93 0.36 -7.76 -0.68 3.38 -1.30 0.29 115.31 120.54 1d7i h LEU 104 Ca -0.26 -0.35 0.41 0.00 0.09 0.00 0.00 57.88 57.76 1d7i h LEU 104 Cb 1.07 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1d7i h LEU 104 CO 1.09 1.22 1.01 -1.59 0.09 0.00 0.00 178.44 180.25 1d7i s LYS 105 N -2.89 0.05 0.06 1.13 -2.85 -1.21 -4.62 119.74 109.41 1d7i s LYS 105 Ca -0.04 -0.03 0.05 0.00 -1.00 0.00 0.00 55.97 54.96 1d7i s LYS 105 Cb 0.08 0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 1d7i s LYS 105 CO 0.86 -0.02 -0.14 -0.51 0.10 0.00 0.00 175.35 175.64 1d7i s LEU 106 N -3.74 2.24 0.00 2.77 1.43 -1.26 -2.28 118.68 117.84 1d7i s LEU 106 Ca 0.28 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1d7i s LEU 106 Cb 0.02 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1d7i s LEU 106 CO -0.04 -0.04 0.15 -0.62 0.23 0.00 0.00 176.35 176.04