#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1q h GLU 5 N 0.00 0.61 -0.27 1.43 4.81 -2.01 0.68 114.58 119.82 1s1q h GLU 5 Ca 0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1s1q h GLU 5 Cb 0.00 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1s1q h GLU 5 CO 0.00 0.40 -0.41 0.66 -0.73 0.00 0.00 179.01 178.93 1s1q h SER 6 N 0.62 0.83 -0.46 1.04 4.64 -2.04 -2.14 113.55 116.05 1s1q h SER 6 Ca 0.20 -0.52 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1s1q h SER 6 Cb 0.03 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1s1q h SER 6 CO -0.05 1.19 -0.05 1.56 -0.87 0.00 0.00 176.83 178.61 1s1q h GLN 7 N 0.50 0.90 -0.43 4.77 4.20 -1.61 -1.83 115.11 121.61 1s1q h GLN 7 Ca 0.03 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1s1q h GLN 7 Cb 1.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1s1q h GLN 7 CO 0.10 0.92 0.26 1.25 -0.67 0.00 0.00 178.83 180.69 1s1q h LEU 8 N 0.82 0.51 -1.12 1.46 5.85 0.30 -2.72 115.31 120.41 1s1q h LEU 8 Ca 0.15 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1s1q h LEU 8 Cb 0.55 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1s1q h LEU 8 CO 0.03 0.41 0.60 0.50 -0.34 0.00 0.00 178.44 179.64 1s1q h LYS 9 N 0.57 1.15 -1.73 1.25 3.11 -0.97 -2.60 116.57 117.34 1s1q h LYS 9 Ca 0.15 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1s1q h LYS 9 Cb -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 30.96 1s1q h LYS 9 CO -0.03 0.76 0.00 1.63 -2.81 0.00 0.00 179.45 179.00 1s1q n LYS 10 N -4.41 0.40 0.00 1.90 5.02 -0.72 -2.33 118.16 118.01 1s1q n LYS 10 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1s1q n LYS 10 Cb 0.05 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1s1q n LYS 10 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1s1q n VAL 12 N 1.13 0.00 -0.28 -0.18 0.24 -0.98 -4.78 118.33 113.49 1s1q n VAL 12 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 1s1q n VAL 12 Cb 0.20 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 32.78 1s1q n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1s1q n SER 13 N 0.00 -0.14 -1.60 -1.34 7.64 -0.98 -1.06 113.62 116.14 1s1q n SER 13 Ca 0.00 1.36 0.09 0.00 1.01 0.00 0.00 58.87 61.33 1s1q n SER 13 Cb 0.00 -0.47 0.36 0.00 -1.01 0.00 0.00 64.21 63.08 1s1q n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s1q n LYS 14 N -5.17 3.75 -3.09 1.43 4.76 -1.26 -4.93 118.16 113.65 1s1q n LYS 14 Ca 0.17 -2.82 -0.35 0.00 -2.87 0.00 0.00 58.31 52.44 1s1q n LYS 14 Cb 0.56 -1.91 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 1s1q n LYS 14 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1s1q s TYR 15 N -1.90 3.58 0.18 2.13 1.51 -0.23 -4.97 117.35 117.66 1s1q s TYR 15 Ca 0.50 1.37 0.14 0.00 -1.01 0.00 0.00 57.07 58.08 1s1q s TYR 15 Cb 0.33 -2.62 0.42 0.00 -0.11 0.00 0.00 41.96 39.98 1s1q s TYR 15 CO 0.24 0.26 1.62 0.87 -1.11 0.00 0.00 175.55 177.43 1s1q h LYS 16 N 3.11 0.00 -2.18 -0.62 1.57 -1.78 -3.35 116.57 113.31 1s1q h LYS 16 Ca -0.48 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.72 1s1q h LYS 16 Cb 1.19 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.09 1s1q h LYS 16 CO 0.65 0.54 -0.83 0.66 -0.57 0.00 0.00 179.45 179.90 1s1q n TYR 17 N -3.60 1.68 -0.02 -1.35 4.01 -1.26 -4.97 117.16 111.65 1s1q n TYR 17 Ca -0.00 -3.87 -0.12 0.00 -0.16 0.00 0.00 57.90 53.75 1s1q n TYR 17 Cb 0.61 -0.43 -0.07 0.00 -0.31 0.00 0.00 39.34 39.14 1s1q n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s1q h ARG 18 N 4.27 0.14 -0.44 -0.72 3.08 -1.87 -2.18 114.38 116.66 1s1q h ARG 18 Ca 0.15 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1s1q h ARG 18 Cb 0.77 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1s1q h ARG 18 CO 0.65 0.37 0.06 -0.44 -1.07 0.00 0.00 179.97 179.54 1s1q h ASP 19 N -0.11 0.71 -0.51 7.04 3.32 -1.95 -0.82 116.42 124.11 1s1q h ASP 19 Ca 0.03 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1s1q h ASP 19 Cb 0.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1s1q h ASP 19 CO 0.00 0.80 0.30 -0.07 -1.72 0.00 0.00 179.24 178.55 1s1q h LEU 20 N 0.59 0.62 -0.67 1.55 3.38 -1.95 -1.69 115.31 117.13 1s1q h LEU 20 Ca 0.13 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1s1q h LEU 20 Cb 0.40 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1s1q h LEU 20 CO 0.01 0.50 0.26 0.74 0.09 0.00 0.00 178.44 180.04 1s1q h THR 21 N 0.68 1.24 -0.32 0.22 2.02 -1.14 -2.16 112.91 113.46 1s1q h THR 21 Ca 0.18 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1s1q h THR 21 Cb 0.01 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1s1q h THR 21 CO -0.03 0.31 -0.07 0.58 0.37 0.00 0.00 175.52 176.68 1s1q h VAL 22 N 0.96 1.28 -0.14 3.16 2.07 -0.98 -1.62 116.25 120.99 1s1q h VAL 22 Ca 0.22 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1s1q h VAL 22 Cb 0.23 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1s1q h VAL 22 CO -0.02 0.36 0.07 -0.09 0.02 0.00 0.00 177.57 177.92 1s1q h ARG 23 N 0.39 0.15 -0.63 1.57 9.65 -1.24 0.25 114.38 124.53 1s1q h ARG 23 Ca 0.08 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1s1q h ARG 23 Cb 0.56 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 1s1q h ARG 23 CO 0.03 0.10 0.42 0.93 2.80 0.00 0.00 179.97 184.25 1s1q h GLU 24 N 0.16 0.83 -0.36 0.20 5.08 -1.33 -2.28 114.58 116.88 1s1q h GLU 24 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1s1q h GLU 24 Cb 0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1s1q h GLU 24 CO -0.03 0.55 0.03 1.15 -1.00 0.00 0.00 179.01 179.70 1s1q h THR 25 N 0.85 1.25 -0.48 1.13 2.02 -0.90 -1.89 112.91 114.90 1s1q h THR 25 Ca 0.23 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1s1q h THR 25 Cb -0.10 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1s1q h THR 25 CO -0.05 0.31 0.25 0.58 0.37 0.00 0.00 175.52 176.97 1s1q h VAL 26 N 0.44 0.97 -0.37 3.16 2.07 -0.82 -1.69 116.25 120.01 1s1q h VAL 26 Ca 0.11 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1s1q h VAL 26 Cb 0.41 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1s1q h VAL 26 CO 0.01 0.09 -0.11 0.78 0.02 0.00 0.00 177.57 178.37 1s1q h ASN 27 N 0.49 0.62 -0.08 0.57 2.35 -1.22 -1.69 115.58 116.62 1s1q h ASN 27 Ca 0.21 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1s1q h ASN 27 Cb 0.10 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1s1q h ASN 27 CO -0.14 0.76 0.05 0.58 -1.65 0.00 0.00 177.43 177.03 1s1q h VAL 28 N 0.59 1.01 -0.08 2.81 2.07 -0.89 -3.06 116.25 118.69 1s1q h VAL 28 Ca 0.11 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 1s1q h VAL 28 Cb 0.53 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1s1q h VAL 28 CO 0.03 0.02 -0.30 0.40 0.02 0.00 0.00 177.57 177.74 1s1q h ILE 29 N 0.10 1.25 -0.55 4.57 2.04 -0.90 -0.73 117.51 123.28 1s1q h ILE 29 Ca 0.03 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.75 1s1q h ILE 29 Cb -0.01 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1s1q h ILE 29 CO -0.01 0.35 0.34 0.74 0.00 0.00 0.00 178.15 179.56 1s1q h THR 30 N 0.14 1.08 0.05 -0.27 2.02 -1.24 -3.02 112.91 111.66 1s1q h THR 30 Ca 0.02 -0.23 -0.25 0.00 0.77 0.00 0.00 66.41 66.72 1s1q h THR 30 Cb 0.60 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1s1q h THR 30 CO 0.04 0.12 -1.20 -0.07 0.37 0.00 0.00 175.52 174.78 1s1q h LEU 31 N 0.68 0.15 -6.97 2.58 3.38 -1.41 -3.41 115.31 110.32 1s1q h LEU 31 Ca 0.22 -0.18 -0.61 0.00 0.09 0.00 0.00 57.88 57.39 1s1q h LEU 31 Cb 0.00 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 40.30 1s1q h LEU 31 CO -0.09 1.15 -0.71 -0.31 0.09 0.00 0.00 178.44 178.57 1s1q s TYR 32 N -2.67 2.45 -0.30 1.13 2.02 -0.30 -4.96 117.35 114.71 1s1q s TYR 32 Ca -0.02 -2.77 0.27 0.00 -0.37 0.00 0.00 57.07 54.17 1s1q s TYR 32 Cb 0.09 -2.09 1.10 0.00 -0.40 0.00 0.00 41.96 40.66 1s1q s TYR 32 CO 0.84 -0.72 1.80 1.57 -1.57 0.00 0.00 175.55 177.47 1s1q h LYS 33 N 6.14 0.00 -0.17 -0.62 2.10 -1.79 -2.55 116.57 119.68 1s1q h LYS 33 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1s1q h LYS 33 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1s1q h LYS 33 CO 0.56 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.76 1s1q n ASP 34 N -2.50 2.07 -4.82 7.07 8.00 -1.26 -4.80 116.55 120.32 1s1q n ASP 34 Ca 0.02 -1.75 -0.37 0.00 0.71 0.00 0.00 54.79 53.40 1s1q n ASP 34 Cb 0.26 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1s1q n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s1q s LEU 35 N -1.66 4.37 0.03 0.64 1.43 -0.96 -2.87 118.68 119.66 1s1q s LEU 35 Ca 0.34 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1s1q s LEU 35 Cb 0.19 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1s1q s LEU 35 CO 0.29 0.29 -0.07 -1.59 0.23 0.00 0.00 176.35 175.49 1s1q s LYS 36 N -0.56 0.49 0.02 1.70 -2.85 -0.46 -4.83 119.74 113.26 1s1q s LYS 36 Ca 0.18 -0.64 -0.28 0.00 -1.00 0.00 0.00 55.97 54.23 1s1q s LYS 36 Cb -0.14 -0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.30 1s1q s LYS 36 CO 0.07 0.06 0.90 -1.25 0.10 0.00 0.00 175.35 175.22 1s1q s PRO 37 N -1.29 4.56 0.02 1.78 0.04 -1.26 -1.49 135.00 137.37 1s1q s PRO 37 Ca -0.08 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1s1q s PRO 37 Cb -0.08 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1s1q s PRO 37 CO 0.00 0.08 -0.08 0.08 0.04 0.00 0.00 177.00 177.12 1s1q s VAL 38 N 0.59 0.60 -0.24 -0.36 1.01 0.09 -4.98 120.40 117.10 1s1q s VAL 38 Ca 0.47 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1s1q s VAL 38 Cb -0.21 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1s1q s VAL 38 CO 0.26 -0.10 0.15 -0.22 0.00 0.00 0.00 175.10 175.20 1s1q s LEU 39 N -0.88 4.06 0.10 3.92 2.96 -1.26 -0.41 118.68 127.17 1s1q s LEU 39 Ca -0.03 0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.87 1s1q s LEU 39 Cb -0.06 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1s1q s LEU 39 CO 0.00 0.06 0.23 -1.81 -1.32 0.00 0.00 176.35 173.51 1s1q s ASP 40 N 1.09 0.06 -0.27 3.68 1.01 -0.41 -4.97 116.67 116.86 1s1q s ASP 40 Ca 0.07 -0.61 -0.26 0.00 0.71 0.00 0.00 52.55 52.46 1s1q s ASP 40 Cb -0.14 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.16 1s1q s ASP 40 CO 0.05 -0.76 0.89 -0.55 0.21 0.00 0.00 175.17 175.01 1s1q s SER 41 N -2.86 6.84 -0.18 0.27 0.15 -1.26 0.15 113.70 116.81 1s1q s SER 41 Ca 0.05 0.98 -0.19 0.00 0.70 0.00 0.00 55.95 57.49 1s1q s SER 41 Cb 0.04 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1s1q s SER 41 CO -0.11 -0.64 0.54 -0.47 1.20 0.00 0.00 173.24 173.77 1s1q s TYR 42 N 3.08 3.41 -0.37 3.44 5.04 0.11 -4.92 117.35 127.15 1s1q s TYR 42 Ca 0.37 0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 55.72 1s1q s TYR 42 Cb -0.14 -2.68 -0.00 0.00 0.35 0.00 0.00 41.96 39.49 1s1q s TYR 42 CO 0.10 -0.05 0.27 0.08 -1.34 0.00 0.00 175.55 174.61 1s1q s VAL 43 N 1.43 5.28 0.82 3.14 1.01 -1.26 -1.37 120.40 129.45 1s1q s VAL 43 Ca 0.26 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1s1q s VAL 43 Cb -0.16 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1s1q s VAL 43 CO 0.10 -0.13 1.09 -0.36 0.00 0.00 0.00 175.10 175.80 1s1q s PHE 44 N 1.71 2.62 0.62 5.22 0.08 0.67 -4.90 117.98 123.99 1s1q s PHE 44 Ca 0.06 1.31 0.34 0.00 0.12 0.00 0.00 56.93 58.75 1s1q s PHE 44 Cb -0.18 -3.09 1.96 0.00 -0.57 0.00 0.00 43.02 41.14 1s1q s PHE 44 CO 0.10 -1.95 2.24 -0.91 -0.10 0.00 0.00 175.22 174.61 1s1q h ASN 45 N -1.23 0.00 -0.02 1.36 2.35 -1.98 0.13 115.58 116.19 1s1q h ASN 45 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1s1q h ASN 45 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1s1q h ASN 45 CO 0.56 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.44 1s1q n ASP 46 N -3.57 0.48 0.00 5.81 5.68 -1.26 -4.92 116.55 118.77 1s1q n ASP 46 Ca -0.02 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1s1q n ASP 46 Cb 0.14 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1s1q n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s1q n GLY 47 N 1.00 1.89 3.75 6.12 0.00 0.03 -5.05 105.19 112.94 1s1q n GLY 47 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1s1q n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s1q s SER 48 N -2.96 4.62 0.05 1.61 1.04 -1.26 -4.77 113.70 112.02 1s1q s SER 48 Ca 0.00 2.03 0.06 0.00 0.48 0.00 0.00 55.95 58.52 1s1q s SER 48 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1s1q s SER 48 CO 0.00 -1.96 -0.18 -0.44 0.98 0.00 0.00 173.24 171.63 1s1q s SER 49 N -2.71 2.16 -0.09 7.02 0.01 -1.26 -0.24 113.70 118.59 1s1q s SER 49 Ca 0.67 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 57.32 1s1q s SER 49 Cb -0.21 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1s1q s SER 49 CO 0.47 0.10 0.25 -0.13 0.41 0.00 0.00 173.24 174.34 1s1q s ARG 50 N -1.23 0.32 -0.21 12.44 3.00 -0.47 -4.97 118.95 127.82 1s1q s ARG 50 Ca 0.05 0.30 -0.28 0.00 0.00 0.00 0.00 55.73 55.80 1s1q s ARG 50 Cb -0.09 0.15 0.00 0.00 0.00 0.00 0.00 34.95 35.02 1s1q s ARG 50 CO 0.02 -0.04 0.99 -1.21 0.00 0.00 0.00 175.30 175.05 1s1q s GLU 51 N 0.02 4.27 0.00 3.54 0.41 -1.26 -0.71 118.70 124.97 1s1q s GLU 51 Ca -0.01 1.27 0.00 0.00 -0.41 0.00 0.00 54.97 55.82 1s1q s GLU 51 Cb -0.02 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.70 1s1q s GLU 51 CO 0.01 -0.56 0.00 1.28 -0.49 0.00 0.00 175.26 175.50 1s1q n LEU 52 N 6.05 0.00 0.00 1.80 4.77 0.12 -4.94 117.00 124.79 1s1q n LEU 52 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1s1q n LEU 52 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1s1q n LEU 52 CO 0.51 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.11 1s1q n ASN 54 N 0.00 0.00 -4.75 -1.43 0.23 0.45 -1.28 115.26 108.48 1s1q n ASN 54 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 1s1q n ASN 54 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1s1q n ASN 54 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1s1q s LEU 55 N 0.00 4.25 -0.01 -4.53 1.43 -0.33 -0.74 118.68 118.76 1s1q s LEU 55 Ca 0.00 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1s1q s LEU 55 Cb 0.00 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1s1q s LEU 55 CO 0.00 0.17 -0.04 0.28 0.23 0.00 0.00 176.35 176.99 1s1q s THR 56 N 0.23 0.31 -5.00 5.49 -1.32 -0.55 -0.81 115.64 113.99 1s1q s THR 56 Ca 0.13 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1s1q s THR 56 Cb -0.12 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1s1q s THR 56 CO 0.02 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1s1q n GLY 57 N 3.10 0.16 3.77 6.08 0.00 -1.03 -1.35 105.19 115.92 1s1q n GLY 57 Ca -0.14 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1s1q n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1q s THR 58 N -2.87 4.18 -0.01 2.61 -4.23 -1.14 -0.34 115.64 113.84 1s1q s THR 58 Ca 0.00 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.11 1s1q s THR 58 Cb 0.00 -3.23 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 1s1q s THR 58 CO 0.00 -0.31 -0.25 0.27 -0.54 0.00 0.00 174.62 173.80 1s1q s ILE 59 N -2.10 1.95 -0.26 2.99 -4.36 -0.80 -4.17 121.20 114.45 1s1q s ILE 59 Ca 0.32 -1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 59.32 1s1q s ILE 59 Cb -0.08 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 42.02 1s1q s ILE 59 CO 0.23 0.50 1.04 -2.16 0.24 0.00 0.00 174.94 174.79 1s1q s PRO 60 N -0.71 4.20 -0.24 0.37 0.04 -1.26 -1.80 135.00 135.60 1s1q s PRO 60 Ca 0.10 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1s1q s PRO 60 Cb -0.09 -3.67 0.06 0.00 0.04 0.00 0.00 34.50 30.83 1s1q s PRO 60 CO -0.00 -0.70 -0.10 0.08 0.04 0.00 0.00 177.00 176.31 1s1q s VAL 61 N 3.31 1.99 0.23 -0.36 1.01 -0.06 -4.96 120.40 121.57 1s1q s VAL 61 Ca 0.44 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1s1q s VAL 61 Cb -0.14 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1s1q s VAL 61 CO 0.09 0.01 1.32 -2.84 0.00 0.00 0.00 175.10 173.68 1s1q s PRO 62 N 1.20 4.37 -0.23 2.72 0.02 -1.26 -1.31 135.00 140.50 1s1q s PRO 62 Ca -0.07 2.12 -0.08 0.00 0.02 0.00 0.00 61.00 62.99 1s1q s PRO 62 Cb -0.19 -3.16 0.11 0.00 0.02 0.00 0.00 34.50 31.28 1s1q s PRO 62 CO -0.06 -0.25 0.49 -0.47 -0.33 0.00 0.00 177.00 176.38 1s1q s TYR 63 N -0.17 -0.99 -1.37 6.54 5.04 -0.22 -4.44 117.35 121.74 1s1q s TYR 63 Ca 0.55 1.76 -0.05 0.00 -2.44 0.00 0.00 57.07 56.89 1s1q s TYR 63 Cb -0.38 0.46 0.03 0.00 0.35 0.00 0.00 41.96 42.42 1s1q s TYR 63 CO 0.42 -0.56 0.85 0.54 -1.34 0.00 0.00 175.55 175.46 1s1q n ARG 64 N 5.41 -5.50 0.00 4.97 1.74 -1.26 -2.37 116.66 119.65 1s1q n ARG 64 Ca -0.09 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1s1q n ARG 64 Cb 0.49 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 1s1q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1q n GLY 65 N -1.61 3.05 3.75 -0.13 0.00 -1.26 -5.03 105.19 103.96 1s1q n GLY 65 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1s1q n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1q s ASN 66 N -1.20 4.75 -0.22 1.61 0.01 -1.00 -5.12 114.94 113.77 1s1q s ASN 66 Ca 0.00 -0.74 -0.04 0.00 -0.71 0.00 0.00 52.86 51.37 1s1q s ASN 66 Cb 0.00 -0.76 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 1s1q s ASN 66 CO 0.00 -0.30 -0.05 -0.89 -1.51 0.00 0.00 177.10 174.34 1s1q s THR 67 N -2.41 3.30 -0.23 1.60 2.01 -1.26 -1.05 115.64 117.60 1s1q s THR 67 Ca 0.38 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 1s1q s THR 67 Cb -0.03 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1s1q s THR 67 CO 0.23 0.43 0.09 -0.31 -0.69 0.00 0.00 174.62 174.37 1s1q s TYR 68 N 1.47 3.18 -0.61 4.92 1.51 -0.43 -4.92 117.35 122.47 1s1q s TYR 68 Ca 0.06 -0.12 -0.19 0.00 -1.01 0.00 0.00 57.07 55.81 1s1q s TYR 68 Cb -0.14 -2.20 0.11 0.00 -0.11 0.00 0.00 41.96 39.61 1s1q s TYR 68 CO -0.04 -0.11 0.72 -0.80 -1.11 0.00 0.00 175.55 174.21 1s1q s ASN 69 N 1.14 6.21 -0.21 2.29 0.01 -1.26 -0.88 114.94 122.24 1s1q s ASN 69 Ca 0.05 -1.47 -0.22 0.00 -0.71 0.00 0.00 52.86 50.51 1s1q s ASN 69 Cb -0.14 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 1s1q s ASN 69 CO 0.04 -1.11 0.69 -0.63 -1.51 0.00 0.00 177.10 174.58 1s1q s ILE 70 N 2.66 4.97 0.10 0.60 -1.09 -0.75 -4.81 121.20 122.89 1s1q s ILE 70 Ca 0.12 1.31 -0.31 0.00 -2.23 0.00 0.00 60.65 59.54 1s1q s ILE 70 Cb -0.23 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.58 1s1q s ILE 70 CO 0.06 0.06 1.26 -2.84 -1.23 0.00 0.00 174.94 172.25 1s1q s PRO 71 N 2.16 4.40 0.27 2.79 0.02 -1.26 -1.90 135.00 141.48 1s1q s PRO 71 Ca 0.31 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1s1q s PRO 71 Cb -0.16 -3.30 -0.05 0.00 0.02 0.00 0.00 34.50 31.02 1s1q s PRO 71 CO 0.10 -0.29 0.10 0.96 -0.33 0.00 0.00 177.00 177.54 1s1q s ILE 72 N 0.88 0.59 -0.10 2.83 -4.36 0.54 -1.42 121.20 120.15 1s1q s ILE 72 Ca 0.60 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1s1q s ILE 72 Cb -0.32 -2.64 0.05 0.00 1.25 0.00 0.00 42.46 40.80 1s1q s ILE 72 CO 0.31 0.00 0.21 0.00 0.24 0.00 0.00 174.94 175.70 1s1q s LEU 74 N 1.83 4.12 -0.15 0.00 1.43 0.01 -1.62 118.68 124.30 1s1q s LEU 74 Ca -0.03 -1.67 -0.19 0.00 -1.03 0.00 0.00 54.13 51.21 1s1q s LEU 74 Cb -0.11 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1s1q s LEU 74 CO -0.07 -0.30 0.54 0.26 0.23 0.00 0.00 176.35 177.01 1s1q s TRP 75 N 1.07 3.45 -0.30 0.29 0.52 0.29 -1.19 118.94 123.09 1s1q s TRP 75 Ca -0.00 0.89 -0.13 0.00 0.02 0.00 0.00 56.10 56.88 1s1q s TRP 75 Cb -0.20 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 1s1q s TRP 75 CO -0.05 0.02 0.27 -0.51 0.02 0.00 0.00 176.95 176.70 1s1q s LEU 76 N 1.16 4.17 0.82 2.99 1.43 -1.26 -0.91 118.68 127.09 1s1q s LEU 76 Ca 0.27 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1s1q s LEU 76 Cb -0.16 -2.23 0.09 0.00 0.03 0.00 0.00 46.19 43.92 1s1q s LEU 76 CO 0.11 -0.16 1.11 -0.76 0.23 0.00 0.00 176.35 176.88 1s1q s LEU 77 N 1.87 2.93 0.13 1.79 1.43 -1.26 -4.88 118.68 120.69 1s1q s LEU 77 Ca 0.09 1.92 0.20 0.00 -1.03 0.00 0.00 54.13 55.32 1s1q s LEU 77 Cb -0.16 -4.51 0.82 0.00 0.03 0.00 0.00 46.19 42.37 1s1q s LEU 77 CO 0.11 -2.41 1.61 -0.90 0.23 0.00 0.00 176.35 174.99 1s1q n ASP 78 N -3.77 0.35 -0.45 2.29 5.75 -1.26 -0.79 116.55 118.66 1s1q n ASP 78 Ca 0.10 0.58 0.07 0.00 -0.01 0.00 0.00 54.79 55.53 1s1q n ASP 78 Cb 0.53 -0.66 0.27 0.00 -1.03 0.00 0.00 41.12 40.24 1s1q n ASP 78 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1s1q n THR 79 N -1.88 0.26 -1.74 2.12 -2.24 -1.26 -2.32 114.28 107.21 1s1q n THR 79 Ca 0.03 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1s1q n THR 79 Cb 0.22 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1s1q n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1q n TYR 80 N 0.16 2.77 0.14 4.78 9.36 0.03 -0.67 117.16 133.73 1s1q n TYR 80 Ca 0.12 0.38 0.05 0.00 3.32 0.00 0.00 57.90 61.77 1s1q n TYR 80 Cb 0.25 -2.54 0.22 0.00 -0.63 0.00 0.00 39.34 36.63 1s1q n TYR 80 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1s1q n PRO 81 N 1.32 2.87 0.02 2.98 -0.04 -1.26 -4.31 135.00 136.57 1s1q n PRO 81 Ca 0.06 -1.69 0.13 0.00 -0.04 0.00 0.00 63.50 61.96 1s1q n PRO 81 Cb 0.37 -1.77 0.47 0.00 -0.04 0.00 0.00 33.50 32.52 1s1q n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s1q n TYR 82 N 0.45 0.19 -4.27 0.54 4.02 0.16 -4.25 117.16 113.99 1s1q n TYR 82 Ca 0.15 0.05 -0.20 0.00 -0.01 0.00 0.00 57.90 57.90 1s1q n TYR 82 Cb 0.67 -0.52 -0.11 0.00 -0.02 0.00 0.00 39.34 39.35 1s1q n TYR 82 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1s1q s ASN 83 N -3.33 2.23 0.66 7.72 0.01 -1.25 -4.81 114.94 116.17 1s1q s ASN 83 Ca 0.12 -0.80 -0.15 0.00 -0.71 0.00 0.00 52.86 51.33 1s1q s ASN 83 Cb 0.17 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.73 1s1q s ASN 83 CO 0.59 -0.08 1.11 -2.16 -1.51 0.00 0.00 177.10 175.05 1s1q s PRO 84 N -2.54 2.79 0.72 -0.60 0.04 -1.26 -4.60 135.00 129.54 1s1q s PRO 84 Ca 0.10 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 1s1q s PRO 84 Cb -0.06 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1s1q s PRO 84 CO 0.04 -1.26 1.13 -1.25 0.04 0.00 0.00 177.00 175.70 1s1q s PRO 85 N -4.09 2.40 -0.27 0.56 0.04 -1.26 -4.69 135.00 127.69 1s1q s PRO 85 Ca 0.67 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.96 1s1q s PRO 85 Cb -0.21 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1s1q s PRO 85 CO 0.41 -1.58 0.67 0.42 0.04 0.00 0.00 177.00 176.97 1s1q s ILE 86 N -2.37 4.93 -0.06 0.56 1.01 -0.08 -4.89 121.20 120.31 1s1q s ILE 86 Ca 0.68 1.11 0.06 0.00 0.00 0.00 0.00 60.65 62.50 1s1q s ILE 86 Cb -0.22 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1s1q s ILE 86 CO 0.46 -0.06 -0.25 0.00 0.00 0.00 0.00 174.94 175.10 1s1q s PHE 88 N -0.17 0.64 0.09 0.00 0.08 -0.64 -1.38 117.98 116.61 1s1q s PHE 88 Ca -0.03 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.52 1s1q s PHE 88 Cb -0.14 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.86 1s1q s PHE 88 CO 0.04 -0.02 0.87 0.08 -0.10 0.00 0.00 175.22 176.08 1s1q s VAL 89 N -0.50 4.57 -0.74 -0.44 1.01 0.12 -1.46 120.40 122.97 1s1q s VAL 89 Ca -0.01 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1s1q s VAL 89 Cb -0.05 -4.23 0.18 0.00 0.00 0.00 0.00 36.38 32.29 1s1q s VAL 89 CO 0.00 0.36 0.56 -0.54 0.00 0.00 0.00 175.10 175.47 1s1q s LYS 90 N -0.14 2.68 0.45 2.72 -0.14 -0.51 -4.51 119.74 120.29 1s1q s LYS 90 Ca 0.43 -3.18 -0.25 0.00 -1.36 0.00 0.00 55.97 51.60 1s1q s LYS 90 Cb -0.22 -3.61 -0.08 0.00 -1.68 0.00 0.00 37.83 32.24 1s1q s LYS 90 CO 0.27 -1.25 1.34 -1.25 -0.76 0.00 0.00 175.35 173.69 1s1q s PRO 91 N -1.19 3.71 0.59 -1.68 0.04 -1.26 -4.60 135.00 130.61 1s1q s PRO 91 Ca 0.24 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 1s1q s PRO 91 Cb -0.09 -2.60 0.12 0.00 0.04 0.00 0.00 34.50 31.97 1s1q s PRO 91 CO -0.12 -0.73 0.81 0.25 0.04 0.00 0.00 177.00 177.25 1s1q n THR 92 N -0.25 0.00 0.29 1.26 -2.24 -1.26 -4.99 114.28 107.09 1s1q n THR 92 Ca 0.06 -1.17 0.16 0.00 -2.27 0.00 0.00 64.05 60.83 1s1q n THR 92 Cb 0.44 -1.08 0.89 0.00 -2.10 0.00 0.00 70.33 68.48 1s1q n THR 92 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s1q h SER 93 N -0.57 0.00 -1.31 3.42 4.64 -2.04 -3.43 113.55 114.25 1s1q h SER 93 Ca -0.27 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.48 1s1q h SER 93 Cb 0.95 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.83 1s1q h SER 93 CO 0.27 0.05 0.61 -1.54 -0.87 0.00 0.00 176.83 175.35 1s1q n SER 94 N -3.54 6.82 -3.64 4.97 3.41 -1.26 -5.20 113.62 115.18 1s1q n SER 94 Ca -0.02 -3.40 -0.09 0.00 -0.26 0.00 0.00 58.87 55.09 1s1q n SER 94 Cb 0.16 -1.17 -0.07 0.00 -0.26 0.00 0.00 64.21 62.87 1s1q n SER 94 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1s1q s THR 96 N -3.17 0.00 0.11 6.66 2.01 -0.80 -4.99 115.64 115.46 1s1q s THR 96 Ca 0.56 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.25 1s1q s THR 96 Cb 0.40 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.84 1s1q s THR 96 CO -0.27 0.00 1.28 -0.63 -0.69 0.00 0.00 174.62 174.31 1s1q s ILE 97 N 1.08 3.63 -0.54 1.82 1.01 -1.26 -1.29 121.20 125.65 1s1q s ILE 97 Ca -0.06 1.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.64 1s1q s ILE 97 Cb -0.05 -3.78 0.12 0.00 0.01 0.00 0.00 42.46 38.76 1s1q s ILE 97 CO -0.11 0.12 0.52 -0.75 0.00 0.00 0.00 174.94 174.72 1s1q s LYS 98 N 0.79 3.00 0.46 2.79 2.20 -0.31 -4.91 119.74 123.76 1s1q s LYS 98 Ca 0.60 -1.60 -0.24 0.00 -0.36 0.00 0.00 55.97 54.37 1s1q s LYS 98 Cb -0.33 -4.28 -0.07 0.00 -1.51 0.00 0.00 37.83 31.64 1s1q s LYS 98 CO 0.31 -1.33 1.29 0.95 -0.36 0.00 0.00 175.35 176.22 1s1q s THR 99 N 1.78 2.54 0.00 3.43 -4.23 -1.26 -4.65 115.64 113.25 1s1q s THR 99 Ca 0.05 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1s1q s THR 99 Cb -0.28 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1s1q s THR 99 CO 0.04 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1s1q n GLY 100 N 0.62 2.98 0.31 3.99 0.00 -0.45 -4.98 105.19 107.66 1s1q n GLY 100 Ca 0.07 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1s1q n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1q h LYS 101 N 0.00 0.45 -0.00 1.61 1.57 -1.96 -3.26 116.57 114.98 1s1q h LYS 101 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1s1q h LYS 101 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1s1q h LYS 101 CO 0.00 0.30 -0.48 0.72 -0.57 0.00 0.00 179.45 179.42 1s1q n HIS 102 N -4.48 0.00 -3.75 -1.35 8.25 -1.26 -4.71 115.22 107.92 1s1q n HIS 102 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 1s1q n HIS 102 Cb 0.09 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 1s1q n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s1q s VAL 103 N -1.97 -0.06 0.33 1.59 1.01 -1.23 -0.73 120.40 119.33 1s1q s VAL 103 Ca 0.05 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1s1q s VAL 103 Cb 0.09 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.30 1s1q s VAL 103 CO 0.43 0.08 0.45 -0.90 0.00 0.00 0.00 175.10 175.16 1s1q n ASP 104 N 4.27 0.85 0.27 3.32 5.68 -0.84 -1.34 116.55 128.75 1s1q n ASP 104 Ca -0.26 -1.66 0.16 0.00 -0.50 0.00 0.00 54.79 52.54 1s1q n ASP 104 Cb 0.51 -0.27 0.67 0.00 -1.14 0.00 0.00 41.12 40.90 1s1q n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s1q h ALA 105 N -0.14 1.02 0.00 2.12 0.00 -1.96 -1.48 119.26 118.83 1s1q h ALA 105 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s1q h ALA 105 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1s1q h ALA 105 CO 0.18 0.06 -0.12 0.09 0.00 0.00 0.00 179.25 179.46 1s1q n ASN 106 N -3.18 0.21 0.00 0.00 3.02 -1.26 -4.94 115.26 109.12 1s1q n ASN 106 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1s1q n ASN 106 Cb 0.31 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1s1q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s1q n GLY 107 N 1.47 0.72 3.75 7.41 0.00 -0.56 -4.88 105.19 113.11 1s1q n GLY 107 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1s1q n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1q s LYS 108 N -0.67 4.34 -0.14 1.61 2.20 -1.26 0.15 119.74 125.97 1s1q s LYS 108 Ca 0.00 2.20 -0.07 0.00 -0.36 0.00 0.00 55.97 57.73 1s1q s LYS 108 Cb 0.00 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1s1q s LYS 108 CO 0.00 -0.29 0.12 0.42 -0.36 0.00 0.00 175.35 175.25 1s1q s ILE 109 N -0.35 5.38 -0.09 5.43 1.01 -0.48 -1.99 121.20 130.10 1s1q s ILE 109 Ca 0.55 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.38 1s1q s ILE 109 Cb -0.40 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1s1q s ILE 109 CO 0.45 0.57 -0.14 -0.31 0.00 0.00 0.00 174.94 175.51 1s1q s TYR 110 N -0.65 1.73 -0.05 3.97 2.02 0.09 -4.78 117.35 119.67 1s1q s TYR 110 Ca 0.13 -0.75 -0.16 0.00 -0.37 0.00 0.00 57.07 55.92 1s1q s TYR 110 Cb -0.12 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.21 1s1q s TYR 110 CO 0.02 -0.39 0.38 -0.51 -1.57 0.00 0.00 175.55 173.48 1s1q s LEU 111 N 0.89 0.58 0.33 -1.29 1.43 -1.26 -4.28 118.68 115.07 1s1q s LEU 111 Ca -0.10 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1s1q s LEU 111 Cb -0.15 1.44 0.75 0.00 0.03 0.00 0.00 46.19 48.26 1s1q s LEU 111 CO 0.01 -0.39 1.85 -0.65 0.23 0.00 0.00 176.35 177.39 1s1q h PRO 112 N 4.18 0.75 -0.74 1.29 0.11 -2.00 -1.82 132.00 133.78 1s1q h PRO 112 Ca -0.29 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.82 1s1q h PRO 112 Cb 1.17 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1s1q h PRO 112 CO 0.36 0.49 0.48 -0.92 -0.21 0.00 0.00 178.00 178.21 1s1q h TYR 113 N 0.77 0.85 -0.02 0.65 3.20 -1.96 0.29 116.97 120.76 1s1q h TYR 113 Ca 0.48 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.26 1s1q h TYR 113 Cb 0.71 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.70 1s1q h TYR 113 CO -0.00 0.49 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.52 1s1q h LEU 114 N 0.88 0.40 -1.47 2.82 3.38 -1.81 -2.57 115.31 116.93 1s1q h LEU 114 Ca 0.30 -0.74 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1s1q h LEU 114 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1s1q h LEU 114 CO -0.09 1.08 0.38 -0.74 0.09 0.00 0.00 178.44 179.17 1s1q h HIS 115 N -0.25 0.67 -0.44 1.13 2.76 -0.85 -2.87 115.15 115.29 1s1q h HIS 115 Ca -0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1s1q h HIS 115 Cb 1.13 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1s1q h HIS 115 CO 0.15 0.40 0.00 0.39 -1.30 0.00 0.00 177.93 177.57 1s1q n GLU 116 N -4.46 3.52 -1.62 5.26 1.02 0.05 -5.02 120.64 119.38 1s1q n GLU 116 Ca 0.06 -2.79 -0.54 0.00 -0.02 0.00 0.00 57.16 53.87 1s1q n GLU 116 Cb 0.11 -1.85 -0.06 0.00 -0.02 0.00 0.00 31.44 29.62 1s1q n GLU 116 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1s1q n TRP 117 N 0.32 1.64 -3.49 -0.32 -0.00 -0.97 -4.97 117.44 109.65 1s1q n TRP 117 Ca 0.22 0.62 -0.05 0.00 -0.00 0.00 0.00 57.50 58.30 1s1q n TRP 117 Cb 0.88 -2.36 -0.06 0.00 -0.00 0.00 0.00 31.31 29.76 1s1q n TRP 117 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1s1q s LYS 118 N 1.31 0.43 0.46 5.87 2.36 -1.26 -4.94 119.74 123.97 1s1q s LYS 118 Ca 0.88 1.01 -0.24 0.00 -2.55 0.00 0.00 55.97 55.08 1s1q s LYS 118 Cb -1.00 0.31 -0.07 0.00 -1.05 0.00 0.00 37.83 36.02 1s1q s LYS 118 CO 0.52 -0.40 1.25 -1.58 1.55 0.00 0.00 175.35 176.69 1s1q s HIS 119 N 2.71 2.74 -2.49 4.03 5.65 -1.26 -0.52 115.29 126.15 1s1q s HIS 119 Ca 0.05 1.47 0.25 0.00 0.25 0.00 0.00 55.06 57.07 1s1q s HIS 119 Cb -0.13 -3.56 0.79 0.00 -1.18 0.00 0.00 32.58 28.50 1s1q s HIS 119 CO -0.16 -1.97 1.59 -0.35 -0.65 0.00 0.00 174.74 173.20 1s1q n PRO 120 N -0.39 1.84 -0.24 2.88 -0.04 -1.26 -4.86 135.00 132.94 1s1q n PRO 120 Ca 0.07 -1.24 -0.08 0.00 -0.04 0.00 0.00 63.50 62.20 1s1q n PRO 120 Cb 0.46 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1s1q n PRO 120 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1s1q h GLN 121 N 2.79 1.09 -6.10 0.54 7.50 -1.84 -3.40 115.11 115.69 1s1q h GLN 121 Ca 0.00 -0.29 -0.56 0.00 0.50 0.00 0.00 58.65 58.30 1s1q h GLN 121 Cb 0.60 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.95 1s1q h GLN 121 CO 0.00 1.00 0.13 -1.12 -1.50 0.00 0.00 178.83 177.35 1s1q s SER 122 N -6.47 7.06 0.32 1.46 0.01 0.32 -5.01 113.70 111.39 1s1q s SER 122 Ca -0.12 1.27 0.02 0.00 1.31 0.00 0.00 55.95 58.44 1s1q s SER 122 Cb 0.14 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 1s1q s SER 122 CO 0.85 -0.13 0.37 -0.90 0.41 0.00 0.00 173.24 173.83 1s1q n ASP 123 N 3.76 -0.99 -0.01 2.44 5.68 -1.26 -4.47 116.55 121.70 1s1q n ASP 123 Ca -0.00 -2.87 -0.10 0.00 -0.50 0.00 0.00 54.79 51.32 1s1q n ASP 123 Cb 0.51 1.99 0.05 0.00 -1.14 0.00 0.00 41.12 42.52 1s1q n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1s1q h LEU 124 N 0.00 0.68 -0.46 -2.12 3.38 -1.98 -1.76 115.31 113.05 1s1q h LEU 124 Ca -0.24 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1s1q h LEU 124 Cb 1.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1s1q h LEU 124 CO 0.33 1.07 0.10 -0.07 0.09 0.00 0.00 178.44 179.96 1s1q h LEU 125 N 0.48 0.72 -1.16 1.67 3.38 -1.96 -1.45 115.31 116.98 1s1q h LEU 125 Ca 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1s1q h LEU 125 Cb 1.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1s1q h LEU 125 CO 0.10 0.78 0.06 1.23 0.09 0.00 0.00 178.44 180.70 1s1q h GLY 126 N 0.62 0.70 0.94 0.83 0.00 -1.93 -0.83 103.07 103.40 1s1q h GLY 126 Ca 0.14 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1s1q h GLY 126 CO 0.00 0.38 -0.15 -2.00 0.00 0.00 0.00 176.54 174.77 1s1q h LEU 127 N 0.62 0.69 -0.52 3.11 5.85 -1.03 -2.12 115.31 121.92 1s1q h LEU 127 Ca 0.14 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1s1q h LEU 127 Cb 0.30 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1s1q h LEU 127 CO 0.00 0.94 -0.01 0.40 -0.34 0.00 0.00 178.44 179.44 1s1q h ILE 128 N 0.44 1.26 -0.38 4.05 2.04 -1.05 -2.87 117.51 120.99 1s1q h ILE 128 Ca 0.07 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 64.91 1s1q h ILE 128 Cb 0.68 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 1s1q h ILE 128 CO 0.05 0.39 -0.14 1.56 0.00 0.00 0.00 178.15 180.01 1s1q h GLN 129 N 0.80 -0.06 -1.44 2.37 4.20 -1.02 -0.79 115.11 119.16 1s1q h GLN 129 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1s1q h GLN 129 Cb 0.54 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1s1q h GLN 129 CO 0.03 -0.04 0.00 0.28 -0.67 0.00 0.00 178.83 178.43 1s1q n VAL 130 N -5.34 0.21 0.00 -0.54 0.31 -0.81 -2.16 118.33 110.01 1s1q n VAL 130 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1s1q n VAL 130 Cb 0.25 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1s1q n VAL 130 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1s1q n ILE 132 N 0.77 0.00 -0.09 2.52 5.41 -0.30 -0.21 119.36 127.45 1s1q n ILE 132 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1s1q n ILE 132 Cb 0.12 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.00 1s1q n ILE 132 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1s1q h VAL 133 N 0.00 1.30 -0.10 1.39 2.07 -1.69 -1.87 116.25 117.36 1s1q h VAL 133 Ca 0.00 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 1s1q h VAL 133 Cb 0.00 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1s1q h VAL 133 CO 0.00 0.42 -0.24 0.58 0.02 0.00 0.00 177.57 178.35 1s1q h VAL 134 N 0.35 1.40 0.00 2.57 2.07 -0.86 -3.05 116.25 118.73 1s1q h VAL 134 Ca 0.05 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1s1q h VAL 134 Cb 0.74 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1s1q h VAL 134 CO 0.05 0.45 -0.07 -0.26 0.02 0.00 0.00 177.57 177.76 1s1q h PHE 135 N -0.12 0.00 0.00 1.57 0.04 -1.75 0.26 116.94 116.93 1s1q h PHE 135 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1s1q h PHE 135 Cb 0.84 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 1s1q h PHE 135 CO 0.11 0.07 -0.14 0.78 -0.60 0.00 0.00 178.31 178.53 1s1q h GLY 136 N 0.25 0.00 0.28 -1.45 0.00 -1.26 -2.72 103.07 98.18 1s1q h GLY 136 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1s1q h GLY 136 CO 0.01 0.00 -2.20 1.34 0.00 0.00 0.00 176.54 175.68 1s1q n ASP 137 N -3.31 0.58 -3.43 0.19 2.03 -0.83 -4.76 116.55 107.02 1s1q n ASP 137 Ca 0.00 0.10 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 1s1q n ASP 137 Cb 0.38 0.45 -0.10 0.00 -0.72 0.00 0.00 41.12 41.13 1s1q n ASP 137 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1s1q n GLU 138 N -2.93 0.52 -1.87 -0.67 1.02 0.02 -5.11 120.64 111.62 1s1q n GLU 138 Ca -0.30 -3.39 -0.42 0.00 -0.02 0.00 0.00 57.16 53.03 1s1q n GLU 138 Cb 1.11 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 1s1q n GLU 138 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1s1q s PRO 139 N -0.35 4.18 0.00 3.49 0.02 -1.03 -4.34 135.00 136.97 1s1q s PRO 139 Ca 0.32 2.40 0.28 0.00 0.02 0.00 0.00 61.00 64.03 1s1q s PRO 139 Cb 0.05 -3.59 1.04 0.00 0.02 0.00 0.00 34.50 32.02 1s1q s PRO 139 CO -0.18 -0.76 1.76 -0.35 -0.33 0.00 0.00 177.00 177.14 1s1q n PRO 140 N 5.59 0.36 -4.11 5.54 -0.04 -1.26 -4.72 135.00 136.37 1s1q n PRO 140 Ca 0.16 -0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1s1q n PRO 140 Cb 0.40 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 1s1q n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1s1q s VAL 141 N -2.73 0.79 0.00 0.52 -7.23 -1.26 -1.16 120.40 109.34 1s1q s VAL 141 Ca 0.21 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1s1q s VAL 141 Cb 0.19 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1s1q s VAL 141 CO 0.54 -0.33 0.20 2.22 -0.31 0.00 0.00 175.10 177.42