#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1q n SER 4 N 0.00 -5.06 0.07 -1.34 2.88 -1.26 -4.35 113.62 104.56 1s1q n SER 4 Ca 0.00 0.56 -0.02 0.00 -1.33 0.00 0.00 58.87 58.08 1s1q n SER 4 Cb 0.00 -1.75 0.24 0.00 -0.75 0.00 0.00 64.21 61.94 1s1q n SER 4 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1s1q h GLU 5 N 1.37 0.34 -0.05 -1.46 4.81 -2.02 -2.07 114.58 115.49 1s1q h GLU 5 Ca 0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1s1q h GLU 5 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1s1q h GLU 5 CO 0.00 0.62 -0.06 1.03 -0.73 0.00 0.00 179.01 179.87 1s1q h SER 6 N 0.30 0.14 -0.77 1.04 0.87 -2.00 -1.90 113.55 111.23 1s1q h SER 6 Ca 0.04 -0.50 0.09 0.00 -1.23 0.00 0.00 61.79 60.19 1s1q h SER 6 Cb 0.70 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1s1q h SER 6 CO 0.05 0.61 0.50 1.56 -0.53 0.00 0.00 176.83 179.03 1s1q h GLN 7 N -0.32 0.72 -0.28 2.24 4.20 -1.81 -2.67 115.11 117.19 1s1q h GLN 7 Ca 0.01 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1s1q h GLN 7 Cb 0.57 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1s1q h GLN 7 CO 0.01 0.47 -0.01 1.25 -0.67 0.00 0.00 178.83 179.89 1s1q h LEU 8 N 0.74 0.50 -1.72 1.46 5.85 -1.22 -2.73 115.31 118.19 1s1q h LEU 8 Ca 0.35 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1s1q h LEU 8 Cb 0.38 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1s1q h LEU 8 CO -0.13 0.70 0.17 0.50 -0.34 0.00 0.00 178.44 179.34 1s1q h LYS 9 N 0.28 0.35 -1.37 1.25 1.63 -1.05 -2.63 116.57 115.03 1s1q h LYS 9 Ca 0.08 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1s1q h LYS 9 Cb 0.45 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1s1q h LYS 9 CO 0.02 0.24 0.00 1.63 -3.45 0.00 0.00 179.45 177.89 1s1q n LYS 10 N -4.49 0.58 0.00 1.90 5.02 -1.03 -2.57 118.16 117.57 1s1q n LYS 10 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1s1q n LYS 10 Cb 0.07 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.68 0.00 0.01 -0.18 0.24 -0.99 -4.74 118.33 113.35 1s1q n VAL 12 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.48 1s1q n VAL 12 Cb 0.28 0.00 0.65 0.00 -1.47 0.00 0.00 33.84 33.30 1s1q n VAL 12 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1s1q h SER 13 N 0.00 0.06 -0.56 -1.34 4.64 -1.79 -1.40 113.55 113.17 1s1q h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s1q h SER 13 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1s1q h SER 13 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1s1q n LYS 14 N -4.41 2.39 -3.00 4.77 5.02 -1.26 -4.90 118.16 116.76 1s1q n LYS 14 Ca 0.09 -2.04 -0.39 0.00 -2.02 0.00 0.00 58.31 53.94 1s1q n LYS 14 Cb 0.52 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1s1q n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s1q s TYR 15 N -1.31 3.86 0.47 2.13 1.51 -0.53 -4.96 117.35 118.52 1s1q s TYR 15 Ca 0.38 1.57 0.13 0.00 -1.01 0.00 0.00 57.07 58.14 1s1q s TYR 15 Cb 0.20 -2.76 1.09 0.00 -0.11 0.00 0.00 41.96 40.38 1s1q s TYR 15 CO 0.25 0.46 2.07 0.87 -1.11 0.00 0.00 175.55 178.09 1s1q h LYS 16 N 4.69 0.12 -2.16 -0.62 1.57 -1.84 -3.30 116.57 115.04 1s1q h LYS 16 Ca -0.46 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 57.73 1s1q h LYS 16 Cb 1.21 -0.02 -0.41 0.00 0.08 0.00 0.00 32.23 33.08 1s1q h LYS 16 CO 0.67 0.14 -0.77 0.66 -0.57 0.00 0.00 179.45 179.58 1s1q n TYR 17 N -4.45 2.60 0.01 -1.35 4.01 -1.26 -4.96 117.16 111.76 1s1q n TYR 17 Ca -0.02 -3.97 -0.11 0.00 -0.16 0.00 0.00 57.90 53.65 1s1q n TYR 17 Cb 0.14 -0.49 -0.06 0.00 -0.31 0.00 0.00 39.34 38.62 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 3.72 0.07 -0.48 -0.72 3.08 -1.85 -2.42 114.38 115.79 1s1q h ARG 18 Ca 0.15 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1s1q h ARG 18 Cb 0.70 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1s1q h ARG 18 CO 0.72 0.05 0.18 -0.44 -1.07 0.00 0.00 179.97 179.41 1s1q h ASP 19 N 0.07 0.67 -0.44 7.04 3.32 -1.93 -0.85 116.42 124.31 1s1q h ASP 19 Ca 0.03 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1s1q h ASP 19 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1s1q h ASP 19 CO -0.02 0.66 0.19 -0.07 -1.72 0.00 0.00 179.24 178.29 1s1q h LEU 20 N 0.63 0.58 -0.35 1.55 3.38 -1.94 -1.94 115.31 117.23 1s1q h LEU 20 Ca 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1s1q h LEU 20 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1s1q h LEU 20 CO -0.01 0.57 0.15 0.74 0.09 0.00 0.00 178.44 179.98 1s1q h THR 21 N 0.56 1.18 -0.08 0.22 2.02 -1.27 -1.99 112.91 113.54 1s1q h THR 21 Ca 0.15 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1s1q h THR 21 Cb 0.15 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1s1q h THR 21 CO -0.02 0.19 0.05 0.58 0.37 0.00 0.00 175.52 176.70 1s1q h VAL 22 N 0.43 1.04 -0.46 3.16 2.07 -1.03 -1.44 116.25 120.02 1s1q h VAL 22 Ca 0.12 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1s1q h VAL 22 Cb 0.17 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1s1q h VAL 22 CO -0.01 0.04 0.27 -0.09 0.02 0.00 0.00 177.57 177.79 1s1q h ARG 23 N 0.09 0.64 -0.63 1.57 9.65 -1.27 0.01 114.38 124.42 1s1q h ARG 23 Ca 0.03 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1s1q h ARG 23 Cb 0.02 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1s1q h ARG 23 CO -0.01 0.49 0.22 0.93 2.80 0.00 0.00 179.97 184.40 1s1q h GLU 24 N 0.61 0.95 -0.21 0.20 5.08 -1.22 -2.02 114.58 117.97 1s1q h GLU 24 Ca 0.16 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1s1q h GLU 24 Cb 0.02 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1s1q h GLU 24 CO -0.03 0.79 -0.17 1.15 -1.00 0.00 0.00 179.01 179.75 1s1q h THR 25 N 0.92 1.32 -0.67 1.13 2.02 -0.70 -1.84 112.91 115.09 1s1q h THR 25 Ca 0.21 -1.31 0.07 0.00 0.77 0.00 0.00 66.41 66.16 1s1q h THR 25 Cb 0.22 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 1s1q h THR 25 CO -0.01 0.40 0.35 0.58 0.37 0.00 0.00 175.52 177.20 1s1q h VAL 26 N 0.16 0.91 -0.43 3.16 2.07 -0.83 -1.24 116.25 120.06 1s1q h VAL 26 Ca 0.04 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1s1q h VAL 26 Cb 0.70 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1s1q h VAL 26 CO 0.04 0.11 0.02 0.78 0.02 0.00 0.00 177.57 178.55 1s1q h ASN 27 N 0.62 0.64 0.08 0.57 2.35 -1.21 -0.83 115.58 117.79 1s1q h ASN 27 Ca 0.31 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1s1q h ASN 27 Cb 0.27 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1s1q h ASN 27 CO -0.22 0.70 -0.04 0.58 -1.65 0.00 0.00 177.43 176.80 1s1q h VAL 28 N 0.64 1.19 0.00 2.81 2.07 -0.64 -3.23 116.25 119.10 1s1q h VAL 28 Ca 0.13 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1s1q h VAL 28 Cb 0.38 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1s1q h VAL 28 CO 0.01 0.26 0.00 2.30 0.02 0.00 0.00 177.57 180.17 1s1q n ILE 29 N -4.90 0.59 -0.09 4.57 -5.35 -0.53 -0.63 119.36 113.03 1s1q n ILE 29 Ca -0.08 -0.04 -0.12 0.00 -0.27 0.00 0.00 62.75 62.23 1s1q n ILE 29 Cb 0.26 -0.77 -0.05 0.00 -1.74 0.00 0.00 39.64 37.34 1s1q n ILE 29 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1s1q h THR 30 N 0.00 1.30 0.05 7.28 2.02 -1.21 -3.30 112.91 119.05 1s1q h THR 30 Ca 0.00 -1.25 -0.26 0.00 0.77 0.00 0.00 66.41 65.67 1s1q h THR 30 Cb 0.55 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1s1q h THR 30 CO 0.00 0.39 -1.30 -0.07 0.37 0.00 0.00 175.52 174.91 1s1q h LEU 31 N 0.26 0.18 -7.23 2.58 4.07 -1.48 -3.42 115.31 110.27 1s1q h LEU 31 Ca 0.05 -0.22 -0.63 0.00 0.08 0.00 0.00 57.88 57.16 1s1q h LEU 31 Cb 0.66 -0.06 -0.41 0.00 1.08 0.00 0.00 40.66 41.94 1s1q h LEU 31 CO 0.04 1.18 -0.64 -0.31 -1.08 0.00 0.00 178.44 177.63 1s1q s TYR 32 N -2.66 3.04 -0.67 1.13 2.02 0.20 -4.95 117.35 115.46 1s1q s TYR 32 Ca -0.04 -3.08 0.26 0.00 -0.37 0.00 0.00 57.07 53.84 1s1q s TYR 32 Cb 0.08 -2.61 0.85 0.00 -0.40 0.00 0.00 41.96 39.88 1s1q s TYR 32 CO 0.84 -0.71 1.76 1.63 -1.57 0.00 0.00 175.55 177.51 1s1q n LYS 33 N 2.92 0.25 -0.21 -0.62 5.02 -1.25 -2.27 118.16 122.00 1s1q n LYS 33 Ca 0.09 0.26 0.08 0.00 -2.02 0.00 0.00 58.31 56.72 1s1q n LYS 33 Cb 0.33 -1.82 0.22 0.00 -0.02 0.00 0.00 35.03 33.75 1s1q n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s1q n ASP 34 N -2.26 2.37 -4.84 4.39 8.00 -1.26 -4.80 116.55 118.14 1s1q n ASP 34 Ca 0.05 -1.96 -0.37 0.00 0.71 0.00 0.00 54.79 53.22 1s1q n ASP 34 Cb 0.39 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.10 4.31 0.00 0.64 1.43 -0.96 -2.19 118.68 120.80 1s1q s LEU 35 Ca 0.31 0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1s1q s LEU 35 Cb 0.16 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1s1q s LEU 35 CO 0.22 0.37 0.00 -1.59 0.23 0.00 0.00 176.35 175.59 1s1q s LYS 36 N -0.82 0.08 0.11 1.70 -2.85 0.05 -4.83 119.74 113.18 1s1q s LYS 36 Ca 0.14 -0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.69 1s1q s LYS 36 Cb -0.12 0.03 -0.06 0.00 -2.06 0.00 0.00 37.83 35.62 1s1q s LYS 36 CO 0.03 -0.01 0.99 -1.25 0.10 0.00 0.00 175.35 175.21 1s1q s PRO 37 N -0.32 4.66 0.01 1.78 0.04 -1.26 -1.77 135.00 138.14 1s1q s PRO 37 Ca -0.04 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1s1q s PRO 37 Cb -0.02 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1s1q s PRO 37 CO -0.00 0.15 0.01 0.08 0.04 0.00 0.00 177.00 177.28 1s1q s VAL 38 N 0.10 0.06 -0.22 -0.36 1.01 -0.03 -4.73 120.40 116.22 1s1q s VAL 38 Ca 0.48 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1s1q s VAL 38 Cb -0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1s1q s VAL 38 CO 0.30 -0.27 0.08 -0.22 0.00 0.00 0.00 175.10 174.99 1s1q s LEU 39 N -0.81 3.69 0.08 3.92 2.96 -1.26 -0.12 118.68 127.13 1s1q s LEU 39 Ca -0.09 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 1s1q s LEU 39 Cb -0.06 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1s1q s LEU 39 CO -0.00 0.06 0.21 -1.81 -1.32 0.00 0.00 176.35 173.48 1s1q s ASP 40 N 1.04 0.07 -0.01 3.68 1.01 -0.68 -4.99 116.67 116.79 1s1q s ASP 40 Ca 0.05 -0.55 -0.27 0.00 0.71 0.00 0.00 52.55 52.49 1s1q s ASP 40 Cb -0.14 0.33 -0.04 0.00 1.01 0.00 0.00 42.92 44.09 1s1q s ASP 40 CO 0.03 -0.69 0.86 -0.94 0.21 0.00 0.00 175.17 174.65 1s1q s SER 41 N -2.63 7.23 -0.22 0.27 1.04 -1.26 -0.14 113.70 117.99 1s1q s SER 41 Ca 0.02 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.85 1s1q s SER 41 Cb 0.03 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 1s1q s SER 41 CO -0.09 -0.18 0.09 -0.47 0.98 0.00 0.00 173.24 173.58 1s1q s TYR 42 N 0.80 3.21 -0.29 5.02 6.14 0.21 -4.91 117.35 127.53 1s1q s TYR 42 Ca 0.46 -0.03 -0.08 0.00 0.64 0.00 0.00 57.07 58.06 1s1q s TYR 42 Cb -0.20 -2.18 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 1s1q s TYR 42 CO 0.24 -0.03 0.11 0.54 0.64 0.00 0.00 175.55 177.06 1s1q s VAL 43 N 0.95 4.33 0.81 3.14 0.11 -1.26 -1.48 120.40 126.99 1s1q s VAL 43 Ca 0.05 -0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 58.52 1s1q s VAL 43 Cb -0.14 -3.18 0.08 0.00 -1.53 0.00 0.00 36.38 31.61 1s1q s VAL 43 CO 0.03 0.12 1.09 -0.36 -3.33 0.00 0.00 175.10 172.65 1s1q s PHE 44 N 1.58 2.70 0.60 1.54 0.40 0.08 -4.90 117.98 119.97 1s1q s PHE 44 Ca 0.04 1.27 0.30 0.00 -0.60 0.00 0.00 56.93 57.94 1s1q s PHE 44 Cb -0.17 -3.09 1.75 0.00 0.51 0.00 0.00 43.02 42.03 1s1q s PHE 44 CO 0.04 -1.87 2.16 -0.91 0.70 0.00 0.00 175.22 175.34 1s1q h ASN 45 N -1.17 0.00 0.04 1.36 2.35 -1.98 0.13 115.58 116.31 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 0.57 0.00 -0.01 -0.90 -1.65 0.00 0.00 177.43 175.44 1s1q n ASP 46 N -3.74 0.58 0.00 5.81 5.68 -1.26 -4.92 116.55 118.70 1s1q n ASP 46 Ca -0.00 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1s1q n ASP 46 Cb 0.24 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 1.09 1.63 3.70 6.12 0.00 0.44 -5.05 105.19 113.12 1s1q n GLY 47 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.39 3.37 0.00 1.61 1.04 -1.26 -4.77 113.70 111.30 1s1q s SER 48 Ca 0.00 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1s1q s SER 48 Cb 0.00 -2.40 -0.00 0.00 0.10 0.00 0.00 66.02 63.72 1s1q s SER 48 CO 0.00 -2.75 -0.01 -0.55 0.98 0.00 0.00 173.24 170.91 1s1q s SER 49 N -3.12 0.15 0.02 7.02 0.15 -1.26 -0.74 113.70 115.91 1s1q s SER 49 Ca 0.64 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 57.25 1s1q s SER 49 Cb -0.20 -0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1s1q s SER 49 CO 0.58 0.00 -0.03 -0.13 1.20 0.00 0.00 173.24 174.85 1s1q s ARG 50 N -0.09 0.29 -0.37 5.44 1.81 -0.55 -4.96 118.95 120.53 1s1q s ARG 50 Ca -0.00 -0.47 -0.28 0.00 -1.72 0.00 0.00 55.73 53.26 1s1q s ARG 50 Cb -0.01 -0.04 0.02 0.00 -0.45 0.00 0.00 34.95 34.47 1s1q s ARG 50 CO -0.00 -0.01 1.05 -2.00 -0.68 0.00 0.00 175.30 173.66 1s1q s GLU 51 N -1.04 3.93 0.00 3.54 2.12 -1.26 0.65 118.70 126.64 1s1q s GLU 51 Ca -0.10 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1s1q s GLU 51 Cb -0.07 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.53 1s1q s GLU 51 CO -0.00 -1.02 0.00 1.28 -0.54 0.00 0.00 175.26 174.98 1s1q n LEU 52 N 7.06 0.00 0.00 2.70 4.77 0.81 -4.94 117.00 127.40 1s1q n LEU 52 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1s1q n LEU 52 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1s1q n LEU 52 CO 0.62 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.22 1s1q n ASN 54 N 0.00 0.00 -4.71 -1.43 0.23 0.83 -1.69 115.26 108.49 1s1q n ASN 54 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 1s1q n ASN 54 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 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 4.19 0.01 -4.53 1.43 0.42 -0.86 118.68 119.34 1s1q s LEU 55 Ca 0.00 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1s1q s LEU 55 Cb 0.00 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1s1q s LEU 55 CO 0.00 0.15 -0.07 0.28 0.23 0.00 0.00 176.35 176.93 1s1q s THR 56 N 0.55 0.56 -5.00 5.49 -1.32 -0.73 -0.70 115.64 114.48 1s1q s THR 56 Ca 0.08 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1s1q s THR 56 Cb -0.12 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1s1q s THR 56 CO -0.00 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1s1q n GLY 57 N 2.44 0.71 3.51 6.08 0.00 -1.15 -0.77 105.19 116.00 1s1q n GLY 57 Ca -0.16 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.21 2.57 0.02 2.61 -4.23 -0.93 -0.82 115.64 111.64 1s1q s THR 58 Ca 0.00 -2.30 0.06 0.00 -1.18 0.00 0.00 61.69 58.27 1s1q s THR 58 Cb 0.00 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1s1q s THR 58 CO 0.00 -0.36 -0.19 0.27 -0.54 0.00 0.00 174.62 173.79 1s1q s ILE 59 N -2.50 1.55 -0.08 2.99 -4.36 -0.73 -4.13 121.20 113.94 1s1q s ILE 59 Ca 0.31 -1.01 -0.26 0.00 -0.26 0.00 0.00 60.65 59.42 1s1q s ILE 59 Cb -0.04 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 1s1q s ILE 59 CO 0.16 0.29 0.82 -2.16 0.24 0.00 0.00 174.94 174.29 1s1q s PRO 60 N -0.86 4.42 -0.24 0.37 0.04 -1.26 -1.51 135.00 135.97 1s1q s PRO 60 Ca 0.07 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 1s1q s PRO 60 Cb -0.08 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 31.04 1s1q s PRO 60 CO 0.01 -0.10 0.04 0.08 0.04 0.00 0.00 177.00 177.06 1s1q s VAL 61 N 1.32 0.83 0.18 -0.36 1.01 -0.01 -4.95 120.40 118.43 1s1q s VAL 61 Ca 0.42 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1s1q s VAL 61 Cb -0.18 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1s1q s VAL 61 CO 0.19 -0.34 1.49 -2.84 0.00 0.00 0.00 175.10 173.60 1s1q s PRO 62 N 1.69 4.25 -0.18 2.72 0.02 -1.26 -0.87 135.00 141.37 1s1q s PRO 62 Ca 0.01 2.29 -0.07 0.00 0.02 0.00 0.00 61.00 63.25 1s1q s PRO 62 Cb -0.17 -3.16 0.08 0.00 0.02 0.00 0.00 34.50 31.27 1s1q s PRO 62 CO -0.13 -0.51 0.40 -0.47 -0.33 0.00 0.00 177.00 175.96 1s1q s TYR 63 N 0.74 -0.72 -1.46 6.54 5.04 -0.47 -4.65 117.35 122.36 1s1q s TYR 63 Ca 0.65 1.42 -0.08 0.00 -2.44 0.00 0.00 57.07 56.62 1s1q s TYR 63 Cb -0.42 0.26 0.02 0.00 0.35 0.00 0.00 41.96 42.17 1s1q s TYR 63 CO 0.35 -0.44 0.87 0.54 -1.34 0.00 0.00 175.55 175.53 1s1q n ARG 64 N 5.18 -6.07 0.00 4.97 1.74 -1.26 -1.88 116.66 119.34 1s1q n ARG 64 Ca -0.11 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1s1q n ARG 64 Cb 0.50 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 26.20 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 -1.71 2.06 3.86 -0.13 0.00 -1.26 -5.04 105.19 102.98 1s1q n GLY 65 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.21 4.91 -0.18 1.61 0.01 -0.79 -5.12 114.94 113.17 1s1q s ASN 66 Ca 0.00 -0.86 -0.00 0.00 -0.71 0.00 0.00 52.86 51.29 1s1q s ASN 66 Cb 0.00 -0.41 0.01 0.00 0.41 0.00 0.00 41.25 41.26 1s1q s ASN 66 CO 0.00 -0.71 -0.16 -0.89 -1.51 0.00 0.00 177.10 173.83 1s1q s THR 67 N -2.53 2.47 -0.20 1.60 2.01 -1.26 -1.37 115.64 116.36 1s1q s THR 67 Ca 0.46 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 1s1q s THR 67 Cb -0.02 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1s1q s THR 67 CO 0.27 0.51 0.07 -0.31 -0.69 0.00 0.00 174.62 174.46 1s1q s TYR 68 N 1.22 3.21 -0.69 4.92 1.51 -0.05 -4.91 117.35 122.56 1s1q s TYR 68 Ca 0.03 -0.03 -0.18 0.00 -1.01 0.00 0.00 57.07 55.87 1s1q s TYR 68 Cb -0.14 -2.13 0.12 0.00 -0.11 0.00 0.00 41.96 39.71 1s1q s TYR 68 CO -0.08 0.03 0.80 -0.80 -1.11 0.00 0.00 175.55 174.39 1s1q s ASN 69 N 0.71 6.35 -0.18 2.29 0.01 -1.26 -0.83 114.94 122.03 1s1q s ASN 69 Ca 0.04 -1.70 -0.23 0.00 -0.71 0.00 0.00 52.86 50.25 1s1q s ASN 69 Cb -0.13 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1s1q s ASN 69 CO 0.02 -1.05 0.75 -0.63 -1.51 0.00 0.00 177.10 174.68 1s1q s ILE 70 N 2.39 4.94 0.00 0.60 1.01 -0.57 -4.78 121.20 124.80 1s1q s ILE 70 Ca 0.17 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 1s1q s ILE 70 Cb -0.18 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1s1q s ILE 70 CO 0.01 0.06 1.16 -2.16 0.00 0.00 0.00 174.94 174.01 1s1q s PRO 71 N 2.08 4.42 0.29 2.79 0.05 -1.26 -1.77 135.00 141.59 1s1q s PRO 71 Ca 0.34 1.67 0.05 0.00 0.05 0.00 0.00 61.00 63.11 1s1q s PRO 71 Cb -0.16 -3.45 -0.06 0.00 0.05 0.00 0.00 34.50 30.88 1s1q s PRO 71 CO 0.11 -0.30 -0.01 0.96 0.05 0.00 0.00 177.00 177.81 1s1q s ILE 72 N 1.53 1.39 -0.03 0.56 -4.36 -0.00 -1.59 121.20 118.70 1s1q s ILE 72 Ca 0.56 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 1s1q s ILE 72 Cb -0.26 -2.57 0.03 0.00 1.25 0.00 0.00 42.46 40.91 1s1q s ILE 72 CO 0.26 -0.19 -0.01 0.00 0.24 0.00 0.00 174.94 175.23 1s1q s LEU 74 N 1.02 4.15 -0.18 0.00 1.43 0.12 -1.36 118.68 123.85 1s1q s LEU 74 Ca -0.10 -1.67 -0.17 0.00 -1.03 0.00 0.00 54.13 51.16 1s1q s LEU 74 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1s1q s LEU 74 CO -0.01 -0.30 0.45 0.26 0.23 0.00 0.00 176.35 176.97 1s1q s TRP 75 N 1.08 3.41 -0.27 0.29 0.52 -0.27 -0.44 118.94 123.25 1s1q s TRP 75 Ca -0.00 0.72 -0.12 0.00 0.02 0.00 0.00 56.10 56.72 1s1q s TRP 75 Cb -0.20 -2.57 -0.05 0.00 -1.15 0.00 0.00 33.47 29.51 1s1q s TRP 75 CO -0.05 0.01 0.25 -0.51 0.02 0.00 0.00 176.95 176.67 1s1q s LEU 76 N 1.23 4.03 0.76 2.99 1.43 -1.26 -1.44 118.68 126.41 1s1q s LEU 76 Ca 0.22 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1s1q s LEU 76 Cb -0.15 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 43.91 1s1q s LEU 76 CO 0.09 -0.09 1.17 -0.76 0.23 0.00 0.00 176.35 176.99 1s1q s LEU 77 N 1.83 3.21 0.00 1.79 1.43 -1.26 -4.85 118.68 120.83 1s1q s LEU 77 Ca 0.10 2.21 0.13 0.00 -1.03 0.00 0.00 54.13 55.54 1s1q s LEU 77 Cb -0.16 -4.57 0.68 0.00 0.03 0.00 0.00 46.19 42.17 1s1q s LEU 77 CO 0.10 -2.30 1.31 -0.90 0.23 0.00 0.00 176.35 174.80 1s1q n ASP 78 N -3.04 0.00 -0.95 2.29 5.75 -1.26 -0.78 116.55 118.56 1s1q n ASP 78 Ca 0.12 0.01 0.09 0.00 -0.01 0.00 0.00 54.79 55.01 1s1q n ASP 78 Cb 0.51 -0.24 0.25 0.00 -1.03 0.00 0.00 41.12 40.62 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 -1.24 0.62 -1.89 2.12 -2.24 -1.26 -2.72 114.28 107.68 1s1q n THR 79 Ca 0.07 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 1s1q n THR 79 Cb 0.09 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1s1q n THR 79 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1s1q s TYR 80 N -1.38 2.82 -0.38 4.78 5.04 0.04 -1.02 117.35 127.26 1s1q s TYR 80 Ca 0.36 1.02 0.09 0.00 -2.44 0.00 0.00 57.07 56.10 1s1q s TYR 80 Cb 0.19 -3.94 0.65 0.00 0.35 0.00 0.00 41.96 39.21 1s1q s TYR 80 CO 0.26 -2.98 1.58 -0.35 -1.34 0.00 0.00 175.55 172.72 1s1q n PRO 81 N 1.65 3.69 0.01 4.97 -0.04 -1.26 -4.38 135.00 139.63 1s1q n PRO 81 Ca 0.05 -2.56 0.12 0.00 -0.04 0.00 0.00 63.50 61.07 1s1q n PRO 81 Cb 0.39 -2.09 0.29 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.18 0.09 -4.25 0.54 4.01 -0.19 -4.39 117.16 113.16 1s1q n TYR 82 Ca 0.29 0.03 -0.20 0.00 -0.16 0.00 0.00 57.90 57.86 1s1q n TYR 82 Cb 1.14 -0.36 -0.12 0.00 -0.31 0.00 0.00 39.34 39.70 1s1q n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1s1q s ASN 83 N -3.20 2.16 0.71 7.72 0.01 -1.25 -4.83 114.94 116.26 1s1q s ASN 83 Ca 0.11 -0.74 -0.11 0.00 -0.71 0.00 0.00 52.86 51.40 1s1q s ASN 83 Cb 0.17 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.76 1s1q s ASN 83 CO 0.68 -0.06 1.08 -2.16 -1.51 0.00 0.00 177.10 175.12 1s1q s PRO 84 N -2.28 2.68 0.64 -0.60 0.04 -1.26 -4.64 135.00 129.58 1s1q s PRO 84 Ca 0.07 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 1s1q s PRO 84 Cb -0.07 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1s1q s PRO 84 CO 0.04 -1.31 1.22 -2.14 0.04 0.00 0.00 177.00 174.84 1s1q s PRO 85 N -4.81 2.69 -0.22 0.56 0.02 -1.26 -4.72 135.00 127.26 1s1q s PRO 85 Ca 0.61 1.83 -0.23 0.00 0.02 0.00 0.00 61.00 63.23 1s1q s PRO 85 Cb -0.16 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 1s1q s PRO 85 CO 0.53 -1.43 0.75 0.42 -0.33 0.00 0.00 177.00 176.94 1s1q s ILE 86 N -1.68 4.91 -0.04 2.83 1.01 -0.52 -4.89 121.20 122.82 1s1q s ILE 86 Ca 0.77 1.42 0.06 0.00 0.00 0.00 0.00 60.65 62.91 1s1q s ILE 86 Cb -0.31 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 1s1q s ILE 86 CO 0.37 0.01 -0.23 0.00 0.00 0.00 0.00 174.94 175.09 1s1q s PHE 88 N -0.50 0.21 0.05 0.00 0.08 -0.47 -1.64 117.98 115.71 1s1q s PHE 88 Ca 0.07 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.79 1s1q s PHE 88 Cb -0.11 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1s1q s PHE 88 CO 0.01 -0.02 1.01 0.08 -0.10 0.00 0.00 175.22 176.19 1s1q s VAL 89 N 0.15 4.59 -0.76 -0.44 1.01 0.58 -0.72 120.40 124.80 1s1q s VAL 89 Ca -0.01 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1s1q s VAL 89 Cb -0.03 -4.25 0.19 0.00 0.00 0.00 0.00 36.38 32.29 1s1q s VAL 89 CO -0.00 0.20 0.60 -0.54 0.00 0.00 0.00 175.10 175.36 1s1q s LYS 90 N 0.64 2.85 0.55 2.72 -0.14 -0.62 -4.46 119.74 121.28 1s1q s LYS 90 Ca 0.51 -3.04 -0.21 0.00 -1.36 0.00 0.00 55.97 51.88 1s1q s LYS 90 Cb -0.23 -3.76 -0.05 0.00 -1.68 0.00 0.00 37.83 32.11 1s1q s LYS 90 CO 0.29 -1.23 1.28 -1.25 -0.76 0.00 0.00 175.35 173.68 1s1q s PRO 91 N -0.93 3.18 0.70 -1.68 0.04 -1.26 -4.61 135.00 130.44 1s1q s PRO 91 Ca 0.23 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1s1q s PRO 91 Cb -0.12 -2.18 0.12 0.00 0.04 0.00 0.00 34.50 32.36 1s1q s PRO 91 CO -0.10 -1.09 0.96 0.95 0.04 0.00 0.00 177.00 177.76 1s1q s THR 92 N -1.42 2.12 0.60 1.26 -4.23 -1.26 -4.99 115.64 107.72 1s1q s THR 92 Ca 0.72 -0.67 0.31 0.00 -1.18 0.00 0.00 61.69 60.87 1s1q s THR 92 Cb -0.36 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.40 1s1q s THR 92 CO 0.41 0.00 2.19 0.77 -0.54 0.00 0.00 174.62 177.45 1s1q h SER 93 N -0.41 0.00 -0.90 3.99 4.64 -2.04 -3.43 113.55 115.41 1s1q h SER 93 Ca -0.35 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.51 1s1q h SER 93 Cb 1.27 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.19 1s1q h SER 93 CO 0.40 0.00 0.44 -1.54 -0.87 0.00 0.00 176.83 175.25 1s1q n SER 94 N -3.72 6.56 -3.64 4.97 3.41 -1.26 -5.19 113.62 114.75 1s1q n SER 94 Ca -0.01 -3.20 -0.10 0.00 -0.26 0.00 0.00 58.87 55.30 1s1q n SER 94 Cb 0.19 -1.16 -0.07 0.00 -0.26 0.00 0.00 64.21 62.91 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 -2.45 0.00 0.06 6.66 2.01 -0.39 -4.32 115.64 117.21 1s1q s THR 96 Ca 0.50 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 1s1q s THR 96 Cb 0.35 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.80 1s1q s THR 96 CO -0.15 0.00 1.25 -0.63 -0.69 0.00 0.00 174.62 174.40 1s1q s ILE 97 N 0.78 3.89 -0.73 1.82 1.01 -1.26 -1.66 121.20 125.05 1s1q s ILE 97 Ca -0.03 1.35 -0.17 0.00 0.00 0.00 0.00 60.65 61.80 1s1q s ILE 97 Cb -0.05 -3.86 0.15 0.00 0.01 0.00 0.00 42.46 38.71 1s1q s ILE 97 CO -0.08 0.09 0.79 -0.75 0.00 0.00 0.00 174.94 174.99 1s1q s LYS 98 N 1.21 3.33 0.81 2.79 2.20 -0.45 -4.91 119.74 124.72 1s1q s LYS 98 Ca 0.60 -1.82 -0.13 0.00 -0.36 0.00 0.00 55.97 54.26 1s1q s LYS 98 Cb -0.31 -4.46 0.08 0.00 -1.51 0.00 0.00 37.83 31.64 1s1q s LYS 98 CO 0.29 -1.49 1.20 0.95 -0.36 0.00 0.00 175.35 175.94 1s1q s THR 99 N 1.76 2.05 -0.65 3.43 -4.23 -1.26 -4.68 115.64 112.06 1s1q s THR 99 Ca 0.17 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1s1q s THR 99 Cb -0.16 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1s1q s THR 99 CO -0.02 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1s1q n GLY 100 N 0.48 -0.61 0.29 3.99 0.00 -0.09 -4.96 105.19 104.28 1s1q n GLY 100 Ca 0.13 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 0.60 -0.01 1.61 1.57 -1.97 -3.24 116.57 115.14 1s1q h LYS 101 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1s1q h LYS 101 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1s1q h LYS 101 CO 0.00 0.53 -0.09 0.72 -0.57 0.00 0.00 179.45 180.04 1s1q n HIS 102 N -4.35 0.00 -3.72 -1.35 8.25 -1.26 -4.70 115.22 108.09 1s1q n HIS 102 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1s1q n HIS 102 Cb 0.17 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 1s1q n HIS 102 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1s1q s VAL 103 N -1.09 -0.09 0.49 1.59 0.11 -1.22 -0.63 120.40 119.56 1s1q s VAL 103 Ca 0.11 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1s1q s VAL 103 Cb 0.09 -0.33 0.10 0.00 -1.53 0.00 0.00 36.38 34.70 1s1q s VAL 103 CO 0.18 0.08 0.68 -0.90 -3.33 0.00 0.00 175.10 171.81 1s1q n ASP 104 N 4.40 0.97 0.29 3.54 5.68 -0.90 -0.91 116.55 129.61 1s1q n ASP 104 Ca -0.23 -1.81 0.18 0.00 -0.50 0.00 0.00 54.79 52.44 1s1q n ASP 104 Cb 0.52 -0.43 0.82 0.00 -1.14 0.00 0.00 41.12 40.89 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 -0.49 1.03 -0.01 2.12 0.00 -1.96 -1.51 119.26 118.44 1s1q h ALA 105 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s1q h ALA 105 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1s1q h ALA 105 CO 0.25 0.03 -0.19 0.09 0.00 0.00 0.00 179.25 179.42 1s1q n ASN 106 N -3.16 0.72 0.00 0.00 3.02 -1.26 -4.93 115.26 109.64 1s1q n ASN 106 Ca -0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1s1q n ASN 106 Cb 0.24 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.32 0.82 3.75 7.41 0.00 -0.57 -4.88 105.19 113.04 1s1q n GLY 107 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 4.29 -0.12 1.61 2.20 -1.26 -0.31 119.74 125.83 1s1q s LYS 108 Ca 0.00 2.28 -0.08 0.00 -0.36 0.00 0.00 55.97 57.81 1s1q s LYS 108 Cb 0.00 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1s1q s LYS 108 CO 0.00 -0.36 0.17 0.42 -0.36 0.00 0.00 175.35 175.22 1s1q s ILE 109 N -0.35 5.44 -0.12 5.43 1.01 -0.65 -2.12 121.20 129.84 1s1q s ILE 109 Ca 0.56 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.50 1s1q s ILE 109 Cb -0.41 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1s1q s ILE 109 CO 0.47 0.59 -0.14 -0.31 0.00 0.00 0.00 174.94 175.54 1s1q s TYR 110 N -0.81 1.96 0.00 3.97 1.51 0.20 -4.80 117.35 119.38 1s1q s TYR 110 Ca 0.15 -0.99 -0.09 0.00 -1.01 0.00 0.00 57.07 55.13 1s1q s TYR 110 Cb -0.12 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1s1q s TYR 110 CO 0.04 -0.54 0.17 -0.51 -1.11 0.00 0.00 175.55 173.60 1s1q s LEU 111 N 1.24 1.42 0.37 -1.29 1.43 -1.26 -4.37 118.68 116.22 1s1q s LEU 111 Ca -0.01 -0.16 0.14 0.00 -1.03 0.00 0.00 54.13 53.07 1s1q s LEU 111 Cb -0.14 0.79 0.98 0.00 0.03 0.00 0.00 46.19 47.86 1s1q s LEU 111 CO -0.05 -0.39 1.80 -0.65 0.23 0.00 0.00 176.35 177.28 1s1q h PRO 112 N 4.18 0.50 -0.73 1.29 0.11 -2.00 -1.43 132.00 133.91 1s1q h PRO 112 Ca -0.31 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1s1q h PRO 112 Cb 1.19 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1s1q h PRO 112 CO 0.41 0.33 0.49 -0.92 -0.21 0.00 0.00 178.00 178.09 1s1q h TYR 113 N 0.51 0.90 -0.06 0.65 3.20 -1.95 -0.61 116.97 119.61 1s1q h TYR 113 Ca 0.55 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.35 1s1q h TYR 113 Cb 1.22 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1s1q h TYR 113 CO -0.00 0.55 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.65 1s1q h LEU 114 N 0.96 0.41 -1.48 2.82 3.38 -1.69 -2.97 115.31 116.73 1s1q h LEU 114 Ca 0.28 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1s1q h LEU 114 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1s1q h LEU 114 CO -0.07 1.01 -0.26 -0.74 0.09 0.00 0.00 178.44 178.47 1s1q h HIS 115 N -0.16 0.00 -0.37 1.13 2.76 -1.01 -2.89 115.15 114.60 1s1q h HIS 115 Ca -0.03 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1s1q h HIS 115 Cb 1.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 1s1q h HIS 115 CO 0.13 0.26 0.00 0.39 -1.30 0.00 0.00 177.93 177.42 1s1q n GLU 116 N -4.06 3.61 -1.72 5.26 1.02 -0.27 -5.03 120.64 119.45 1s1q n GLU 116 Ca -0.02 -2.97 -0.43 0.00 -0.02 0.00 0.00 57.16 53.73 1s1q n GLU 116 Cb 0.33 -2.00 -0.02 0.00 -0.02 0.00 0.00 31.44 29.73 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 -0.13 2.69 -3.50 -0.32 -0.00 -1.09 -5.00 117.44 110.09 1s1q n TRP 117 Ca 0.24 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.96 1s1q n TRP 117 Cb 1.01 -2.60 -0.03 0.00 -0.00 0.00 0.00 31.31 29.69 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 0.09 0.58 0.35 5.87 2.47 -1.26 -4.95 119.74 122.88 1s1q s LYS 118 Ca 0.69 1.33 -0.26 0.00 -1.56 0.00 0.00 55.97 56.16 1s1q s LYS 118 Cb -0.53 0.78 -0.09 0.00 -1.46 0.00 0.00 37.83 36.53 1s1q s LYS 118 CO 0.43 -0.32 1.06 -1.58 0.16 0.00 0.00 175.35 175.10 1s1q s HIS 119 N 2.89 3.42 -1.68 4.03 5.65 -1.26 -0.74 115.29 127.60 1s1q s HIS 119 Ca 0.02 1.68 0.25 0.00 0.25 0.00 0.00 55.06 57.26 1s1q s HIS 119 Cb -0.13 -3.17 0.57 0.00 -1.18 0.00 0.00 32.58 28.67 1s1q s HIS 119 CO -0.20 -0.53 1.45 -0.35 -0.65 0.00 0.00 174.74 174.46 1s1q n PRO 120 N 0.45 0.77 0.14 2.88 -0.04 -1.26 -4.88 135.00 133.06 1s1q n PRO 120 Ca 0.02 -0.50 0.04 0.00 -0.04 0.00 0.00 63.50 63.03 1s1q n PRO 120 Cb 0.48 -1.49 0.45 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.22 0.20 -5.71 0.54 7.50 -1.88 -3.40 115.11 113.57 1s1q h GLN 121 Ca 0.00 -0.03 -0.58 0.00 0.50 0.00 0.00 58.65 58.53 1s1q h GLN 121 Cb 0.55 -0.03 -0.08 0.00 0.05 0.00 0.00 27.48 27.96 1s1q h GLN 121 CO 0.00 0.28 -0.19 -1.12 -1.50 0.00 0.00 178.83 176.30 1s1q s SER 122 N -6.91 6.64 0.26 1.46 0.01 0.09 -5.02 113.70 110.23 1s1q s SER 122 Ca -0.05 0.76 -0.03 0.00 1.31 0.00 0.00 55.95 57.93 1s1q s SER 122 Cb 0.16 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1s1q s SER 122 CO 0.72 0.07 0.31 1.51 0.41 0.00 0.00 173.24 176.26 1s1q s ASP 123 N 0.36 0.46 0.19 2.44 1.47 -1.26 -4.55 116.67 115.78 1s1q s ASP 123 Ca 0.23 -1.34 -0.12 0.00 1.18 0.00 0.00 52.55 52.50 1s1q s ASP 123 Cb -0.15 0.52 0.16 0.00 -0.34 0.00 0.00 42.92 43.11 1s1q s ASP 123 CO 0.09 -1.04 1.81 -0.07 0.68 0.00 0.00 175.17 176.63 1s1q h LEU 124 N 2.35 0.49 -0.27 2.11 3.38 -1.98 -0.98 115.31 120.41 1s1q h LEU 124 Ca -0.30 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1s1q h LEU 124 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1s1q h LEU 124 CO 0.43 0.34 0.17 0.25 0.09 0.00 0.00 178.44 179.72 1s1q h LEU 125 N 0.62 0.32 -0.57 1.67 5.85 -1.94 -0.77 115.31 120.49 1s1q h LEU 125 Ca 0.24 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1s1q h LEU 125 Cb 0.10 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1s1q h LEU 125 CO -0.14 0.26 0.25 1.23 -0.34 0.00 0.00 178.44 179.70 1s1q h GLY 126 N 0.35 0.81 0.90 3.75 0.00 -1.86 -2.00 103.07 105.02 1s1q h GLY 126 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1s1q h GLY 126 CO -0.02 0.04 0.27 -2.00 0.00 0.00 0.00 176.54 174.83 1s1q h LEU 127 N 0.46 0.44 -0.63 3.11 5.85 -0.74 -2.31 115.31 121.48 1s1q h LEU 127 Ca 0.28 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 1s1q h LEU 127 Cb 0.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1s1q h LEU 127 CO -0.24 0.32 -0.13 0.40 -0.34 0.00 0.00 178.44 178.45 1s1q h ILE 128 N 0.55 1.27 -0.19 4.05 2.04 -0.68 -2.86 117.51 121.69 1s1q h ILE 128 Ca 0.18 -1.26 -0.14 0.00 1.00 0.00 0.00 64.86 64.64 1s1q h ILE 128 Cb 0.01 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1s1q h ILE 128 CO -0.08 0.44 -0.46 1.56 0.00 0.00 0.00 178.15 179.61 1s1q h GLN 129 N 0.84 0.47 -1.35 2.37 4.20 -1.25 -1.75 115.11 118.64 1s1q h GLN 129 Ca 0.13 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1s1q h GLN 129 Cb 0.67 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1s1q h GLN 129 CO 0.05 0.83 0.00 0.28 -0.67 0.00 0.00 178.83 179.32 1s1q n VAL 130 N -4.00 0.14 0.00 -0.54 0.31 -0.88 -1.48 118.33 111.87 1s1q n VAL 130 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1s1q n VAL 130 Cb 0.54 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.76 0.00 -0.08 2.52 5.41 -0.66 -0.55 119.36 126.76 1s1q n ILE 132 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1s1q n ILE 132 Cb 0.08 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.97 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 1.26 -0.05 1.39 2.07 -1.54 -1.80 116.25 117.58 1s1q h VAL 133 Ca 0.00 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1s1q h VAL 133 Cb 0.00 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1s1q h VAL 133 CO 0.00 0.29 -0.01 0.58 0.02 0.00 0.00 177.57 178.45 1s1q h VAL 134 N 0.20 1.29 0.00 2.57 2.07 -1.10 -2.92 116.25 118.36 1s1q h VAL 134 Ca 0.07 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1s1q h VAL 134 Cb 0.44 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1s1q h VAL 134 CO 0.02 0.24 -0.09 -0.26 0.02 0.00 0.00 177.57 177.50 1s1q h PHE 135 N -0.24 0.00 -0.01 1.57 0.04 -1.74 0.41 116.94 116.98 1s1q h PHE 135 Ca 0.01 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1s1q h PHE 135 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1s1q h PHE 135 CO 0.05 0.09 -0.55 0.78 -0.60 0.00 0.00 178.31 178.08 1s1q h GLY 136 N 0.99 0.02 0.76 -1.45 0.00 -1.14 -2.92 103.07 99.33 1s1q h GLY 136 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 47.33 46.99 1s1q h GLY 136 CO 0.01 0.02 -1.87 1.22 0.00 0.00 0.00 176.54 175.92 1s1q n ASP 137 N -3.89 1.08 -3.57 0.19 8.00 -0.88 -4.74 116.55 112.74 1s1q n ASP 137 Ca -0.01 0.31 -0.27 0.00 0.71 0.00 0.00 54.79 55.52 1s1q n ASP 137 Cb 0.56 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 1s1q n ASP 137 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s1q n GLU 138 N -3.11 0.91 -1.69 -1.24 1.02 0.08 -5.10 120.64 111.50 1s1q n GLU 138 Ca -0.23 -3.72 -0.44 0.00 -0.02 0.00 0.00 57.16 52.76 1s1q n GLU 138 Cb 1.06 -1.89 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 1s1q n GLU 138 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1s1q n PRO 139 N 2.35 2.49 0.00 3.49 -0.04 -1.10 -4.29 135.00 137.91 1s1q n PRO 139 Ca 0.26 0.90 0.13 0.00 -0.04 0.00 0.00 63.50 64.75 1s1q n PRO 139 Cb 0.43 -2.72 0.49 0.00 -0.04 0.00 0.00 33.50 31.66 1s1q n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1s1q n PRO 140 N 3.98 0.19 -4.19 0.54 -0.04 -1.26 -4.77 135.00 129.45 1s1q n PRO 140 Ca 0.17 -0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1s1q n PRO 140 Cb 0.32 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 -2.86 0.84 0.04 0.52 -7.23 -1.26 -1.34 120.40 109.11 1s1q s VAL 141 Ca 0.17 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1s1q s VAL 141 Cb 0.19 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1s1q s VAL 141 CO 0.57 -0.83 -0.12 0.72 -0.31 0.00 0.00 175.10 175.13 1s1q s PHE 142 N -3.53 1.05 -0.59 2.82 -0.71 -0.66 -4.82 117.98 111.53 1s1q s PHE 142 Ca 0.13 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1s1q s PHE 142 Cb 0.04 -0.62 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 1s1q s PHE 142 CO -0.03 0.01 0.15 -1.13 -1.34 0.00 0.00 175.22 172.88