#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7x s VAL 2 N 0.00 2.02 -0.13 1.61 0.11 -1.26 -1.78 120.40 120.97 1a7x s VAL 2 Ca 0.00 -1.09 -0.04 0.00 -2.93 0.00 0.00 61.98 57.92 1a7x s VAL 2 Cb 0.00 -1.68 -0.03 0.00 -1.53 0.00 0.00 36.38 33.13 1a7x s VAL 2 CO 0.00 0.57 0.01 -1.10 -3.33 0.00 0.00 175.10 171.26 1a7x s GLN 3 N -0.51 3.46 -0.18 1.54 -1.52 0.62 -4.92 119.66 118.15 1a7x s GLN 3 Ca 0.07 -0.40 -0.03 0.00 -1.95 0.00 0.00 55.36 53.05 1a7x s GLN 3 Cb -0.11 -2.96 -0.01 0.00 -0.22 0.00 0.00 33.01 29.71 1a7x s GLN 3 CO -0.00 0.47 -0.07 0.08 -0.25 0.00 0.00 175.29 175.52 1a7x s VAL 4 N -0.23 3.34 -0.14 1.09 1.01 -1.26 -0.88 120.40 123.33 1a7x s VAL 4 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1a7x s VAL 4 Cb -0.12 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1a7x s VAL 4 CO 0.02 0.47 -0.15 -0.70 0.00 0.00 0.00 175.10 174.74 1a7x s GLU 5 N 0.92 2.34 0.13 2.72 2.12 -0.04 -4.94 118.70 121.95 1a7x s GLU 5 Ca -0.01 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1a7x s GLU 5 Cb -0.15 -2.08 -0.07 0.00 0.26 0.00 0.00 34.13 32.10 1a7x s GLU 5 CO 0.00 -0.17 1.23 0.99 -0.54 0.00 0.00 175.26 176.77 1a7x s THR 6 N 1.30 3.69 -0.22 -1.70 2.01 -1.26 -0.47 115.64 118.98 1a7x s THR 6 Ca 0.01 1.30 -0.15 0.00 0.31 0.00 0.00 61.69 63.16 1a7x s THR 6 Cb -0.14 -3.83 -0.18 0.00 0.01 0.00 0.00 72.50 68.36 1a7x s THR 6 CO -0.08 0.15 0.02 -0.38 -0.69 0.00 0.00 174.62 173.65 1a7x n ILE 7 N 3.25 1.57 -4.18 1.82 5.41 0.32 -4.89 119.36 122.67 1a7x n ILE 7 Ca 0.07 -0.29 -0.18 0.00 1.00 0.00 0.00 62.75 63.36 1a7x n ILE 7 Cb 0.45 -1.88 -0.15 0.00 -0.71 0.00 0.00 39.64 37.34 1a7x n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1a7x s SER 8 N -7.05 0.77 0.47 4.38 0.01 -0.53 -4.97 113.70 106.78 1a7x s SER 8 Ca -0.31 -0.11 -0.21 0.00 1.31 0.00 0.00 55.95 56.62 1a7x s SER 8 Cb 0.09 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 1a7x s SER 8 CO 0.59 0.02 1.05 -2.16 0.41 0.00 0.00 173.24 173.15 1a7x s PRO 9 N 0.33 3.83 0.00 12.44 0.04 -1.26 -0.96 135.00 149.43 1a7x s PRO 9 Ca -0.04 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1a7x s PRO 9 Cb -0.08 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1a7x s PRO 9 CO -0.00 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1a7x n GLY 10 N -0.08 1.40 0.06 0.56 0.00 -1.26 -4.31 105.19 101.56 1a7x n GLY 10 Ca 0.09 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.36 1a7x n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a7x n ASP 11 N 0.00 0.48 0.00 1.61 5.68 -0.26 -4.87 116.55 119.19 1a7x n ASP 11 Ca 0.00 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1a7x n ASP 11 Cb 0.00 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.32 1a7x n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a7x n GLY 12 N 1.39 0.51 0.01 6.12 0.00 -1.26 -4.72 105.19 107.24 1a7x n GLY 12 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1a7x n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a7x n ARG 13 N -1.97 1.52 -3.40 1.61 1.74 -1.26 -4.98 116.66 109.92 1a7x n ARG 13 Ca 0.00 0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.65 1a7x n ARG 13 Cb 0.01 -1.04 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 1a7x n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1a7x s THR 14 N -2.04 4.97 0.01 0.55 2.01 -1.26 -5.06 115.64 114.81 1a7x s THR 14 Ca -0.02 -1.40 0.02 0.00 0.31 0.00 0.00 61.69 60.60 1a7x s THR 14 Cb 0.01 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1a7x s THR 14 CO 0.06 -0.73 0.01 -0.36 -0.69 0.00 0.00 174.62 172.91 1a7x s PHE 15 N 1.56 3.09 0.21 4.92 0.40 -1.26 -1.61 117.98 125.30 1a7x s PHE 15 Ca 0.04 0.09 -0.32 0.00 -0.60 0.00 0.00 56.93 56.13 1a7x s PHE 15 Cb -0.27 -1.67 -0.13 0.00 0.51 0.00 0.00 43.02 41.46 1a7x s PHE 15 CO 0.03 0.47 1.54 -2.30 0.70 0.00 0.00 175.22 175.67 1a7x n PRO 16 N 1.28 2.27 -4.12 0.24 -0.02 -1.26 -5.03 135.00 128.36 1a7x n PRO 16 Ca -0.14 0.81 -0.24 0.00 -2.02 0.00 0.00 63.50 61.92 1a7x n PRO 16 Cb 0.53 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1a7x n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1a7x s LYS 17 N 0.26 2.85 0.47 -0.52 -0.14 -1.26 -4.93 119.74 116.47 1a7x s LYS 17 Ca 0.72 -1.01 -0.24 0.00 -1.36 0.00 0.00 55.97 54.08 1a7x s LYS 17 Cb -0.62 -2.56 -0.07 0.00 -1.68 0.00 0.00 37.83 32.90 1a7x s LYS 17 CO 0.43 0.43 1.32 0.50 -0.76 0.00 0.00 175.35 177.27 1a7x s ARG 18 N -3.51 3.61 0.00 1.68 6.06 -1.26 -2.39 118.95 123.14 1a7x s ARG 18 Ca 0.32 2.17 0.00 0.00 -2.50 0.00 0.00 55.73 55.71 1a7x s ARG 18 Cb -0.09 -2.52 0.00 0.00 0.06 0.00 0.00 34.95 32.41 1a7x s ARG 18 CO 0.24 -0.79 0.00 0.41 -2.50 0.00 0.00 175.30 172.66 1a7x n GLY 19 N 0.63 2.46 3.85 8.12 0.00 -0.55 -4.99 105.19 114.71 1a7x n GLY 19 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1a7x n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a7x s GLN 20 N -0.29 3.99 -0.35 1.61 -0.21 -1.00 -4.84 119.66 118.57 1a7x s GLN 20 Ca 0.00 0.63 -0.21 0.00 0.02 0.00 0.00 55.36 55.80 1a7x s GLN 20 Cb 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.53 1a7x s GLN 20 CO 0.00 0.19 0.65 0.99 -2.12 0.00 0.00 175.29 175.00 1a7x s THR 21 N -1.93 4.88 -0.03 -0.19 2.01 -0.18 -1.53 115.64 118.67 1a7x s THR 21 Ca 0.53 0.68 -0.19 0.00 0.31 0.00 0.00 61.69 63.01 1a7x s THR 21 Cb -0.11 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1a7x s THR 21 CO 0.18 -0.29 0.55 0.00 -0.69 0.00 0.00 174.62 174.36 1a7x s VAL 23 N -0.12 2.84 0.21 0.00 1.01 -0.75 -1.39 120.40 122.19 1a7x s VAL 23 Ca 0.29 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1a7x s VAL 23 Cb -0.17 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1a7x s VAL 23 CO 0.15 0.31 -0.12 0.68 0.00 0.00 0.00 175.10 176.12 1a7x s VAL 24 N 1.35 1.61 -0.05 2.92 -7.23 -0.17 -0.65 120.40 118.18 1a7x s VAL 24 Ca 0.02 -2.17 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1a7x s VAL 24 Cb -0.15 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 1a7x s VAL 24 CO -0.06 -0.56 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.00 1a7x s HIS 25 N -3.05 2.59 0.05 2.82 3.76 -0.77 -0.78 115.29 119.91 1a7x s HIS 25 Ca 0.23 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1a7x s HIS 25 Cb 0.01 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.06 1a7x s HIS 25 CO 0.07 0.06 -0.05 1.52 -0.85 0.00 0.00 174.74 175.50 1a7x s TYR 26 N -0.57 0.55 -0.06 1.40 -0.85 -1.26 -1.01 117.35 115.56 1a7x s TYR 26 Ca 0.08 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.86 1a7x s TYR 26 Cb -0.11 -0.36 0.01 0.00 0.38 0.00 0.00 41.96 41.88 1a7x s TYR 26 CO 0.01 -0.23 -0.11 0.99 -1.52 0.00 0.00 175.55 174.69 1a7x s THR 27 N -2.74 1.03 -0.10 -3.49 2.01 -0.32 -1.53 115.64 110.51 1a7x s THR 27 Ca -0.01 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1a7x s THR 27 Cb -0.01 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1a7x s THR 27 CO -0.05 0.33 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.34 1a7x s GLY 28 N 0.63 1.74 0.04 4.40 0.00 0.42 -0.92 107.32 113.62 1a7x s GLY 28 Ca -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1a7x s GLY 28 CO 0.03 -0.48 -0.08 1.06 0.00 0.00 0.00 173.10 173.63 1a7x s MET 29 N -0.51 0.54 0.50 2.90 -1.94 0.07 -1.18 119.30 119.68 1a7x s MET 29 Ca 0.08 -0.69 -0.16 0.00 -1.71 0.00 0.00 55.69 53.21 1a7x s MET 29 Cb -0.12 -0.35 -0.08 0.00 2.01 0.00 0.00 34.83 36.29 1a7x s MET 29 CO 0.02 0.07 0.97 -0.51 -0.01 0.00 0.00 175.02 175.56 1a7x s LEU 30 N -1.37 3.65 0.38 -0.03 1.02 0.03 -0.96 118.68 121.39 1a7x s LEU 30 Ca -0.08 1.55 0.20 0.00 0.02 0.00 0.00 54.13 55.82 1a7x s LEU 30 Cb -0.09 -4.48 1.21 0.00 0.02 0.00 0.00 46.19 42.85 1a7x s LEU 30 CO 0.00 -0.57 1.67 -0.08 0.02 0.00 0.00 176.35 177.39 1a7x h GLU 31 N 0.97 0.24 0.00 1.70 4.57 -1.56 0.40 114.58 120.91 1a7x h GLU 31 Ca -0.47 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1a7x h GLU 31 Cb 1.18 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1a7x h GLU 31 CO 0.62 0.16 -0.02 0.38 -1.18 0.00 0.00 179.01 178.97 1a7x h ASP 32 N 0.25 0.00 0.00 1.04 2.03 -1.92 -3.47 116.42 114.35 1a7x h ASP 32 Ca 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.04 1a7x h ASP 32 Cb 1.94 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.44 1a7x h ASP 32 CO -0.50 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.34 1a7x n GLY 33 N -0.63 0.84 3.66 7.15 0.00 0.14 -5.07 105.19 111.28 1a7x n GLY 33 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1a7x n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a7x s LYS 34 N -0.40 4.23 0.03 1.61 2.36 -1.25 -4.76 119.74 121.55 1a7x s LYS 34 Ca 0.00 1.78 -0.30 0.00 -2.55 0.00 0.00 55.97 54.89 1a7x s LYS 34 Cb 0.00 -3.79 -0.05 0.00 -1.05 0.00 0.00 37.83 32.94 1a7x s LYS 34 CO 0.00 -0.72 1.17 0.21 1.55 0.00 0.00 175.35 177.56 1a7x s LYS 35 N 3.51 4.43 -0.01 4.03 2.20 -1.26 -0.79 119.74 131.86 1a7x s LYS 35 Ca 0.59 1.69 0.11 0.00 -0.36 0.00 0.00 55.97 58.00 1a7x s LYS 35 Cb -0.24 -3.41 -0.14 0.00 -1.51 0.00 0.00 37.83 32.52 1a7x s LYS 35 CO 0.18 -0.27 0.36 1.97 -0.36 0.00 0.00 175.35 177.24 1a7x n PHE 36 N 4.21 0.00 -3.55 4.03 1.16 -0.32 -4.95 117.46 118.03 1a7x n PHE 36 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.54 1a7x n PHE 36 Cb 0.47 -0.11 -0.05 0.00 -1.61 0.00 0.00 39.48 38.17 1a7x n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1a7x s ASP 37 N -2.59 -0.48 -0.26 5.98 2.15 -1.20 -5.01 116.67 115.26 1a7x s ASP 37 Ca 0.00 0.48 -0.15 0.00 0.43 0.00 0.00 52.55 53.31 1a7x s ASP 37 Cb 0.08 0.40 0.08 0.00 -0.30 0.00 0.00 42.92 43.17 1a7x s ASP 37 CO 0.45 -0.47 0.65 -0.55 -0.17 0.00 0.00 175.17 175.08 1a7x s SER 38 N -1.26 -0.89 0.38 -0.34 0.15 -1.26 -0.44 113.70 110.05 1a7x s SER 38 Ca -0.05 1.43 0.20 0.00 0.70 0.00 0.00 55.95 58.24 1a7x s SER 38 Cb -0.00 1.30 0.44 0.00 -1.71 0.00 0.00 66.02 66.05 1a7x s SER 38 CO 0.04 -0.23 1.62 0.77 1.20 0.00 0.00 173.24 176.63 1a7x h SER 39 N 6.99 0.00 -0.60 5.45 4.64 -1.57 -3.13 113.55 125.34 1a7x h SER 39 Ca -0.31 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.91 1a7x h SER 39 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1a7x h SER 39 CO 0.18 0.28 -0.00 0.03 -0.87 0.00 0.00 176.83 176.44 1a7x h ARG 40 N 0.00 1.07 0.00 4.77 3.08 -1.83 -2.05 114.38 119.42 1a7x h ARG 40 Ca -0.00 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1a7x h ARG 40 Cb 1.07 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1a7x h ARG 40 CO 0.04 1.04 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.47 1a7x h ASP 41 N 0.97 0.00 0.19 7.04 3.32 -1.88 -2.02 116.42 124.04 1a7x h ASP 41 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1a7x h ASP 41 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1a7x h ASP 41 CO 0.03 0.07 -0.31 0.54 -1.72 0.00 0.00 179.24 177.85 1a7x n ARG 42 N -3.72 0.88 -3.58 3.56 1.74 -0.81 -4.94 116.66 109.78 1a7x n ARG 42 Ca -0.02 -0.57 -0.24 0.00 -0.77 0.00 0.00 57.85 56.25 1a7x n ARG 42 Cb 0.17 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.20 1a7x n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1a7x n ASN 43 N -0.57 -6.38 -3.53 0.55 5.03 -0.76 -5.01 115.26 104.59 1a7x n ASN 43 Ca 0.11 -0.53 -0.12 0.00 0.87 0.00 0.00 54.58 54.91 1a7x n ASN 43 Cb 0.37 -5.02 -0.11 0.00 -1.02 0.00 0.00 39.78 34.00 1a7x n ASN 43 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1a7x s LYS 44 N -6.30 0.26 0.54 3.52 2.20 -0.97 -5.05 119.74 113.94 1a7x s LYS 44 Ca 0.58 0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 56.63 1a7x s LYS 44 Cb -0.26 -0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 35.71 1a7x s LYS 44 CO 0.72 -0.45 1.16 -2.30 -0.36 0.00 0.00 175.35 174.11 1a7x n PRO 45 N 5.36 1.36 -3.27 4.03 -0.02 -1.26 -4.66 135.00 136.54 1a7x n PRO 45 Ca -0.06 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 1a7x n PRO 45 Cb 0.50 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1a7x n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a7x s PHE 46 N -1.36 3.44 -0.13 6.00 5.36 0.04 -4.89 117.98 126.44 1a7x s PHE 46 Ca 0.71 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1a7x s PHE 46 Cb -0.44 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.59 1a7x s PHE 46 CO 0.50 0.03 -0.11 0.15 -1.46 0.00 0.00 175.22 174.33 1a7x s LYS 47 N 1.14 3.36 0.08 10.12 1.02 -1.26 -1.00 119.74 133.20 1a7x s LYS 47 Ca 0.26 -0.64 -0.10 0.00 0.02 0.00 0.00 55.97 55.50 1a7x s LYS 47 Cb -0.15 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1a7x s LYS 47 CO 0.10 0.27 0.23 -0.59 -0.92 0.00 0.00 175.35 174.44 1a7x s PHE 48 N 0.22 0.06 -0.25 3.18 -0.71 -0.48 -4.97 117.98 115.03 1a7x s PHE 48 Ca -0.07 -0.40 -0.15 0.00 -1.04 0.00 0.00 56.93 55.28 1a7x s PHE 48 Cb -0.15 -0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1a7x s PHE 48 CO 0.05 -0.53 0.36 1.41 -1.34 0.00 0.00 175.22 175.17 1a7x s MET 49 N -3.40 4.07 0.00 1.99 1.75 -1.26 -0.30 119.30 122.16 1a7x s MET 49 Ca 0.01 0.06 -0.30 0.00 -1.25 0.00 0.00 55.69 54.21 1a7x s MET 49 Cb 0.03 -3.61 -0.06 0.00 2.84 0.00 0.00 34.83 34.03 1a7x s MET 49 CO -0.09 -0.17 1.42 -1.17 -0.65 0.00 0.00 175.02 174.37 1a7x s LEU 50 N 1.73 4.32 0.00 4.11 2.96 -0.59 -1.21 118.68 130.00 1a7x s LEU 50 Ca 0.15 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1a7x s LEU 50 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1a7x s LEU 50 CO 0.09 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 174.99 1a7x n GLY 51 N 3.67 3.09 0.14 7.98 0.00 -1.26 -1.48 105.19 117.33 1a7x n GLY 51 Ca 0.13 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 1a7x n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a7x h LYS 52 N 0.00 0.42 -6.63 1.61 3.64 -1.90 -3.46 116.57 110.26 1a7x h LYS 52 Ca 0.00 -0.73 -0.52 0.00 -1.27 0.00 0.00 60.65 58.14 1a7x h LYS 52 Cb 0.00 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1a7x h LYS 52 CO 0.00 1.35 0.46 -1.14 -2.27 0.00 0.00 179.45 177.85 1a7x s GLN 53 N -2.56 4.60 -0.55 1.90 2.00 -0.35 -4.98 119.66 119.73 1a7x s GLN 53 Ca -0.14 1.68 -0.28 0.00 -2.00 0.00 0.00 55.36 54.62 1a7x s GLN 53 Cb 0.04 -3.30 0.02 0.00 0.80 0.00 0.00 33.01 30.57 1a7x s GLN 53 CO 0.88 0.07 1.31 -1.21 -0.50 0.00 0.00 175.29 175.84 1a7x s GLU 54 N -0.20 3.44 0.22 1.67 2.02 -1.26 -4.97 118.70 119.63 1a7x s GLU 54 Ca 0.50 0.44 0.06 0.00 0.02 0.00 0.00 54.97 55.99 1a7x s GLU 54 Cb -0.28 -4.06 -0.05 0.00 0.10 0.00 0.00 34.13 29.84 1a7x s GLU 54 CO 0.34 -1.76 -0.09 0.14 0.02 0.00 0.00 175.26 173.91 1a7x s VAL 55 N 5.46 1.51 0.52 2.63 -7.23 -1.26 -5.11 120.40 116.91 1a7x s VAL 55 Ca 0.49 -2.13 -0.23 0.00 -1.81 0.00 0.00 61.98 58.30 1a7x s VAL 55 Cb -0.10 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 1a7x s VAL 55 CO 0.27 -0.48 1.35 2.30 -0.31 0.00 0.00 175.10 178.23 1a7x n ILE 56 N -0.43 3.47 -0.27 -0.62 -5.35 -1.26 -4.84 119.36 110.07 1a7x n ILE 56 Ca -0.07 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 61.96 1a7x n ILE 56 Cb 0.62 -1.68 0.19 0.00 -1.74 0.00 0.00 39.64 37.03 1a7x n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1a7x h ARG 57 N 1.65 0.52 -0.30 6.28 2.43 -1.83 -0.84 114.38 122.30 1a7x h ARG 57 Ca -0.50 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1a7x h ARG 57 Cb 1.30 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1a7x h ARG 57 CO 0.58 0.35 0.20 0.78 -1.51 0.00 0.00 179.97 180.37 1a7x h GLY 58 N 0.54 0.39 0.90 2.80 0.00 -1.31 -1.22 103.07 105.16 1a7x h GLY 58 Ca 0.42 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.43 1a7x h GLY 58 CO -0.36 0.14 -0.66 -0.25 0.00 0.00 0.00 176.54 175.40 1a7x h TRP 59 N 0.37 0.73 -0.03 5.60 2.91 -1.41 -0.01 115.95 124.11 1a7x h TRP 59 Ca 0.12 -0.37 -0.00 0.00 1.13 0.00 0.00 58.89 59.76 1a7x h TRP 59 Cb 0.02 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1a7x h TRP 59 CO -0.00 1.19 0.01 1.49 -1.03 0.00 0.00 178.44 180.10 1a7x h GLU 60 N 0.07 0.04 -0.53 2.65 4.81 -1.17 -0.80 114.58 119.65 1a7x h GLU 60 Ca -0.07 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1a7x h GLU 60 Cb 1.34 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1a7x h GLU 60 CO 0.13 0.09 -0.03 0.93 -0.73 0.00 0.00 179.01 179.40 1a7x h GLU 61 N -0.03 0.92 0.09 1.92 5.08 -1.25 -2.69 114.58 118.62 1a7x h GLU 61 Ca 0.01 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1a7x h GLU 61 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1a7x h GLU 61 CO -0.00 0.93 -0.04 0.78 -1.00 0.00 0.00 179.01 179.68 1a7x h GLY 62 N 0.99 -0.12 1.93 -3.84 0.00 -0.84 -3.26 103.07 97.93 1a7x h GLY 62 Ca 0.15 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1a7x h GLY 62 CO 0.03 -0.04 -0.22 -2.08 0.00 0.00 0.00 176.54 174.23 1a7x h VAL 63 N -0.56 1.18 -0.08 4.60 2.07 -1.19 -2.30 116.25 119.97 1a7x h VAL 63 Ca -0.01 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1a7x h VAL 63 Cb 0.47 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1a7x h VAL 63 CO 0.02 0.25 0.07 0.00 0.02 0.00 0.00 177.57 177.93 1a7x h ALA 64 N 1.70 1.89 -0.28 1.67 0.00 -1.52 -1.66 119.26 121.07 1a7x h ALA 64 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a7x h ALA 64 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a7x h ALA 64 CO 0.03 -0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.21 1a7x n GLN 65 N -4.22 2.01 -3.87 0.00 6.02 -0.87 -4.46 117.38 111.99 1a7x n GLN 65 Ca -0.01 -1.53 -0.33 0.00 -0.01 0.00 0.00 57.00 55.13 1a7x n GLN 65 Cb 0.17 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.97 1a7x n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1a7x s MET 66 N -1.64 3.47 0.32 -1.09 -1.94 -0.62 -5.09 119.30 112.71 1a7x s MET 66 Ca 0.34 -0.30 0.07 0.00 -1.71 0.00 0.00 55.69 54.08 1a7x s MET 66 Cb 0.19 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1a7x s MET 66 CO 0.27 0.64 0.34 -1.54 -0.01 0.00 0.00 175.02 174.72 1a7x s SER 67 N -2.08 5.61 0.20 3.03 1.04 -1.26 -4.21 113.70 116.02 1a7x s SER 67 Ca 0.30 -0.33 -0.33 0.00 0.48 0.00 0.00 55.95 56.08 1a7x s SER 67 Cb -0.13 -1.17 -0.13 0.00 0.10 0.00 0.00 66.02 64.69 1a7x s SER 67 CO 0.21 -0.32 1.60 0.52 0.98 0.00 0.00 173.24 176.23 1a7x n VAL 68 N -1.44 0.20 0.00 5.02 0.31 -0.63 -1.87 118.33 119.92 1a7x n VAL 68 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1a7x n VAL 68 Cb 0.59 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1a7x n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a7x n GLY 69 N 3.31 0.65 3.78 2.92 0.00 0.15 -1.10 105.19 114.90 1a7x n GLY 69 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1a7x n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a7x s GLN 70 N -0.81 4.42 -0.10 1.61 0.74 -0.78 -4.33 119.66 120.40 1a7x s GLN 70 Ca 0.00 1.51 0.04 0.00 0.05 0.00 0.00 55.36 56.96 1a7x s GLN 70 Cb 0.00 -2.78 -0.00 0.00 1.10 0.00 0.00 33.01 31.33 1a7x s GLN 70 CO 0.00 0.09 -0.23 0.50 -0.55 0.00 0.00 175.29 175.10 1a7x s ARG 71 N -2.10 3.03 0.13 1.67 3.52 -0.13 -1.37 118.95 123.70 1a7x s ARG 71 Ca 0.52 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 55.20 1a7x s ARG 71 Cb -0.23 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 1a7x s ARG 71 CO 0.29 0.21 0.17 0.00 -0.81 0.00 0.00 175.30 175.16 1a7x s ALA 72 N 0.28 0.26 -0.21 6.12 0.00 -0.15 -0.52 121.76 127.55 1a7x s ALA 72 Ca -0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1a7x s ALA 72 Cb -0.17 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.68 1a7x s ALA 72 CO 0.08 -0.55 -0.07 0.21 0.00 0.00 0.00 175.76 175.43 1a7x s LYS 73 N -3.97 3.31 -0.26 0.00 2.20 0.38 -1.19 119.74 120.21 1a7x s LYS 73 Ca 0.16 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 55.01 1a7x s LYS 73 Cb 0.05 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1a7x s LYS 73 CO -0.02 -0.18 0.13 -0.51 -0.36 0.00 0.00 175.35 174.41 1a7x s LEU 74 N 1.39 3.79 -0.25 5.43 1.43 0.00 -0.86 118.68 129.61 1a7x s LEU 74 Ca 0.05 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1a7x s LEU 74 Cb -0.14 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1a7x s LEU 74 CO -0.05 -0.02 0.05 -0.89 0.23 0.00 0.00 176.35 175.67 1a7x s THR 75 N 1.58 4.05 -0.17 5.49 2.01 -0.06 -0.64 115.64 127.89 1a7x s THR 75 Ca 0.07 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1a7x s THR 75 Cb -0.15 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1a7x s THR 75 CO 0.07 0.33 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 1a7x s ILE 76 N 1.57 2.72 0.52 1.82 1.01 0.53 -0.27 121.20 129.10 1a7x s ILE 76 Ca 0.06 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.76 1a7x s ILE 76 Cb -0.15 -2.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.09 1a7x s ILE 76 CO 0.02 0.50 1.16 -0.94 0.00 0.00 0.00 174.94 175.68 1a7x s SER 77 N 1.04 5.83 0.44 3.58 1.04 -0.73 -1.23 113.70 123.67 1a7x s SER 77 Ca -0.01 2.26 0.17 0.00 0.48 0.00 0.00 55.95 58.86 1a7x s SER 77 Cb -0.15 -2.59 1.11 0.00 0.10 0.00 0.00 66.02 64.49 1a7x s SER 77 CO -0.03 -1.15 1.93 1.55 0.98 0.00 0.00 173.24 176.52 1a7x h PRO 78 N 1.50 0.34 0.00 4.02 0.13 -1.84 0.30 132.00 136.44 1a7x h PRO 78 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1a7x h PRO 78 Cb 1.26 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a7x h PRO 78 CO 0.58 0.22 0.00 0.38 -0.23 0.00 0.00 178.00 178.95 1a7x h ASP 79 N 0.35 0.00 -0.64 1.44 2.03 -1.89 0.31 116.42 118.00 1a7x h ASP 79 Ca 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.65 1a7x h ASP 79 Cb 0.89 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1a7x h ASP 79 CO -0.10 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.89 1a7x n TYR 80 N -2.40 0.98 0.00 4.15 4.02 0.10 -4.85 117.16 119.16 1a7x n TYR 80 Ca 0.01 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 1a7x n TYR 80 Cb 0.21 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1a7x n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a7x n ALA 81 N 1.31 0.00 -0.29 -0.72 0.00 -0.35 -0.80 120.51 119.67 1a7x n ALA 81 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.78 1a7x n ALA 81 Cb 0.64 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.39 1a7x n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a7x n TYR 82 N 0.00 0.90 -2.42 0.00 4.01 -1.15 -4.78 117.16 113.71 1a7x n TYR 82 Ca 0.00 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1a7x n TYR 82 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1a7x n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a7x n GLY 83 N 1.55 2.81 0.13 2.72 0.00 0.93 -1.60 105.19 111.73 1a7x n GLY 83 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1a7x n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7x h ALA 84 N -0.73 0.96 0.10 4.61 0.00 -1.94 0.38 119.26 122.64 1a7x h ALA 84 Ca 0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 54.91 54.01 1a7x h ALA 84 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1a7x h ALA 84 CO 0.00 0.79 -1.71 1.79 0.00 0.00 0.00 179.25 180.12 1a7x h THR 85 N 0.00 0.93 0.00 0.00 1.35 -1.89 -3.34 112.91 109.96 1a7x h THR 85 Ca -0.01 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 1a7x h THR 85 Cb 1.12 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 1a7x h THR 85 CO 0.08 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1a7x n GLY 86 N 1.75 -1.66 2.69 5.82 0.00 -0.63 -3.74 105.19 109.42 1a7x n GLY 86 Ca -0.21 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 1a7x n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a7x s HIS 87 N 0.00 0.94 -0.19 1.61 2.46 0.27 -4.90 115.29 115.48 1a7x s HIS 87 Ca 0.00 -0.97 -0.41 0.00 0.47 0.00 0.00 55.06 54.15 1a7x s HIS 87 Cb 0.00 -1.10 -0.18 0.00 -0.13 0.00 0.00 32.58 31.17 1a7x s HIS 87 CO 0.00 -0.69 1.47 -2.30 -2.47 0.00 0.00 174.74 170.75 1a7x n PRO 88 N 5.07 0.62 -0.11 2.88 -0.02 -1.26 -1.15 135.00 141.03 1a7x n PRO 88 Ca -0.07 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1a7x n PRO 88 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1a7x n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a7x n GLY 89 N 3.18 1.50 1.69 -1.23 0.00 -1.26 -4.76 105.19 104.30 1a7x n GLY 89 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1a7x n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a7x n ILE 90 N -2.00 0.08 -4.55 -0.61 5.41 -0.30 -5.07 119.36 112.32 1a7x n ILE 90 Ca 0.00 0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.44 1a7x n ILE 90 Cb 0.00 -0.82 -0.15 0.00 -0.71 0.00 0.00 39.64 37.96 1a7x n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1a7x s ILE 91 N -2.00 2.95 0.75 1.39 -1.09 -0.35 -4.94 121.20 117.91 1a7x s ILE 91 Ca 0.00 -0.68 -0.14 0.00 -2.23 0.00 0.00 60.65 57.60 1a7x s ILE 91 Cb 0.00 -2.26 0.05 0.00 -1.58 0.00 0.00 42.46 38.67 1a7x s ILE 91 CO 0.00 0.51 1.17 -2.16 -1.23 0.00 0.00 174.94 173.22 1a7x s PRO 92 N 0.69 2.13 0.28 2.79 0.04 -1.26 -0.57 135.00 139.09 1a7x s PRO 92 Ca -0.06 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 1a7x s PRO 92 Cb -0.15 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 1a7x s PRO 92 CO 0.02 -1.81 0.95 -0.35 0.04 0.00 0.00 177.00 175.85 1a7x n PRO 93 N -2.95 1.19 -2.56 0.56 -0.04 -1.25 -3.32 135.00 126.63 1a7x n PRO 93 Ca 0.12 0.42 -0.21 0.00 -0.04 0.00 0.00 63.50 63.79 1a7x n PRO 93 Cb 0.51 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1a7x n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1a7x n HIS 94 N 0.21 -1.27 -3.27 0.54 8.25 0.13 -4.93 115.22 114.88 1a7x n HIS 94 Ca 0.11 0.13 -0.39 0.00 -0.26 0.00 0.00 57.72 57.31 1a7x n HIS 94 Cb 0.31 -4.02 -0.06 0.00 1.12 0.00 0.00 29.99 27.34 1a7x n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a7x s ALA 95 N -3.05 3.58 -0.04 -1.41 0.00 -1.21 -4.74 121.76 114.89 1a7x s ALA 95 Ca 0.08 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 1a7x s ALA 95 Cb -0.03 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 1a7x s ALA 95 CO 0.10 0.37 0.59 0.99 0.00 0.00 0.00 175.76 177.81 1a7x s THR 96 N -0.98 4.99 0.05 0.00 2.01 -1.26 -3.17 115.64 117.28 1a7x s THR 96 Ca 0.29 1.22 0.05 0.00 0.31 0.00 0.00 61.69 63.56 1a7x s THR 96 Cb -0.19 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1a7x s THR 96 CO 0.18 0.37 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.67 1a7x s LEU 97 N 0.15 3.22 -0.16 4.42 1.43 -0.37 -1.38 118.68 125.99 1a7x s LEU 97 Ca 0.31 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1a7x s LEU 97 Cb -0.17 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1a7x s LEU 97 CO 0.16 0.23 -0.18 -0.69 0.23 0.00 0.00 176.35 176.10 1a7x s VAL 98 N -1.14 1.88 -0.14 -1.59 1.01 -0.14 -0.35 120.40 119.94 1a7x s VAL 98 Ca 0.20 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1a7x s VAL 98 Cb -0.11 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1a7x s VAL 98 CO 0.12 0.51 -0.12 -0.36 0.00 0.00 0.00 175.10 175.25 1a7x s PHE 99 N 1.31 2.84 -0.44 5.22 0.08 0.18 -0.76 117.98 126.41 1a7x s PHE 99 Ca 0.04 -0.63 -0.18 0.00 0.12 0.00 0.00 56.93 56.28 1a7x s PHE 99 Cb -0.13 -1.86 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1a7x s PHE 99 CO -0.11 -0.21 0.49 0.34 -0.10 0.00 0.00 175.22 175.63 1a7x s ASP 100 N 0.40 6.21 -0.08 1.36 2.15 -0.10 -0.82 116.67 125.79 1a7x s ASP 100 Ca -0.10 -0.74 0.03 0.00 0.43 0.00 0.00 52.55 52.18 1a7x s ASP 100 Cb -0.16 -2.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1a7x s ASP 100 CO 0.05 -0.67 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.52 1a7x s VAL 101 N 2.26 2.73 -0.15 1.11 1.01 -0.34 -1.17 120.40 125.86 1a7x s VAL 101 Ca 0.13 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1a7x s VAL 101 Cb -0.18 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1a7x s VAL 101 CO 0.13 0.56 -0.21 -0.70 0.00 0.00 0.00 175.10 174.89 1a7x s GLU 102 N -0.15 2.92 -0.61 2.72 2.12 -0.18 -0.97 118.70 124.55 1a7x s GLU 102 Ca -0.02 -0.81 -0.22 0.00 0.36 0.00 0.00 54.97 54.28 1a7x s GLU 102 Cb -0.14 -2.40 0.07 0.00 0.26 0.00 0.00 34.13 31.92 1a7x s GLU 102 CO 0.04 -0.07 0.87 -1.17 -0.54 0.00 0.00 175.26 174.39 1a7x s LEU 103 N 0.95 4.62 0.09 2.70 2.96 -0.47 -1.85 118.68 127.69 1a7x s LEU 103 Ca -0.04 -0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 52.86 1a7x s LEU 103 Cb -0.15 -2.45 -0.25 0.00 0.50 0.00 0.00 46.19 43.84 1a7x s LEU 103 CO -0.05 -1.28 1.18 -0.07 -1.32 0.00 0.00 176.35 174.81 1a7x h LEU 104 N 10.82 0.37 -7.00 -0.68 3.38 -1.20 0.46 115.31 121.47 1a7x h LEU 104 Ca -0.28 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 57.41 1a7x h LEU 104 Cb 1.08 -0.12 -0.25 0.00 0.09 0.00 0.00 40.66 41.46 1a7x h LEU 104 CO 1.13 1.29 0.63 -0.75 0.09 0.00 0.00 178.44 180.83 1a7x s LYS 105 N -2.73 0.46 -0.09 1.13 2.20 -1.15 -4.63 119.74 114.93 1a7x s LYS 105 Ca -0.03 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1a7x s LYS 105 Cb 0.08 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1a7x s LYS 105 CO 0.87 -0.13 -0.21 -0.51 -0.36 0.00 0.00 175.35 175.01 1a7x s LEU 106 N -0.92 2.29 0.00 5.43 1.43 -1.26 -1.82 118.68 123.83 1a7x s LEU 106 Ca 0.01 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1a7x s LEU 106 Cb -0.01 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1a7x s LEU 106 CO -0.02 0.20 0.71 -0.62 0.23 0.00 0.00 176.35 176.85