#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwt n LYS 14 N 0.00 2.00 -2.26 0.54 4.01 -1.26 -4.98 118.16 116.21 3iwt n LYS 14 Ca 0.00 0.71 -0.42 0.00 -0.51 0.00 0.00 58.31 58.08 3iwt n LYS 14 Cb 0.00 -2.28 -0.03 0.00 -0.51 0.00 0.00 35.03 32.21 3iwt n LYS 14 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3iwt s SER 15 N -0.15 6.91 0.18 4.39 0.15 -1.26 -4.92 113.70 119.00 3iwt s SER 15 Ca 0.60 2.16 0.07 0.00 0.70 0.00 0.00 55.95 59.48 3iwt s SER 15 Cb -0.61 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.08 3iwt s SER 15 CO 0.58 -0.62 0.00 -0.76 1.20 0.00 0.00 173.24 173.64 3iwt s LEU 16 N 1.52 3.32 -0.24 3.45 1.43 -1.26 -4.93 118.68 121.96 3iwt s LEU 16 Ca 0.62 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3iwt s LEU 16 Cb -0.33 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 3iwt s LEU 16 CO 0.29 0.09 0.24 0.20 0.23 0.00 0.00 176.35 177.39 3iwt s ASN 17 N -2.97 6.19 0.02 2.29 0.01 -1.26 -1.03 114.94 118.20 3iwt s ASN 17 Ca 0.28 0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.69 3iwt s ASN 17 Cb -0.09 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 3iwt s ASN 17 CO 0.19 -0.01 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.28 3iwt s PHE 18 N 1.32 2.71 -0.10 2.20 0.08 0.44 -0.61 117.98 124.02 3iwt s PHE 18 Ca 0.11 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.02 3iwt s PHE 18 Cb -0.14 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3iwt s PHE 18 CO 0.07 0.29 -0.15 -0.47 -0.10 0.00 0.00 175.22 174.86 3iwt s TYR 19 N -0.93 2.73 -0.15 0.36 5.04 -0.07 -0.90 117.35 123.43 3iwt s TYR 19 Ca 0.15 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.25 3iwt s TYR 19 Cb -0.11 -1.75 -0.01 0.00 0.35 0.00 0.00 41.96 40.44 3iwt s TYR 19 CO 0.06 -0.10 -0.11 0.08 -1.34 0.00 0.00 175.55 174.13 3iwt s VAL 20 N -0.02 3.11 -0.15 3.14 1.01 -0.59 -1.41 120.40 125.49 3iwt s VAL 20 Ca -0.04 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3iwt s VAL 20 Cb -0.14 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3iwt s VAL 20 CO 0.04 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.86 3iwt s ILE 21 N 0.59 1.69 -0.23 2.22 1.01 -0.29 -1.84 121.20 124.35 3iwt s ILE 21 Ca -0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3iwt s ILE 21 Cb -0.15 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 3iwt s ILE 21 CO 0.03 0.48 0.15 -0.89 0.00 0.00 0.00 174.94 174.71 3iwt s THR 22 N 1.32 5.38 -0.39 2.92 2.01 -0.41 -0.91 115.64 125.55 3iwt s THR 22 Ca 0.02 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 3iwt s THR 22 Cb -0.13 -3.49 0.10 0.00 0.01 0.00 0.00 72.50 68.98 3iwt s THR 22 CO -0.09 0.38 0.17 -0.63 -0.69 0.00 0.00 174.62 173.76 3iwt s ILE 23 N 0.81 3.30 -0.26 1.82 1.01 0.13 -1.37 121.20 126.64 3iwt s ILE 23 Ca 0.08 -1.90 -0.02 0.00 0.00 0.00 0.00 60.65 58.80 3iwt s ILE 23 Cb -0.13 -3.19 0.15 0.00 0.01 0.00 0.00 42.46 39.31 3iwt s ILE 23 CO 0.02 -0.58 0.47 -0.55 0.00 0.00 0.00 174.94 174.29 3iwt s SER 24 N 1.74 -0.40 0.16 3.58 0.15 0.25 -4.34 113.70 114.83 3iwt s SER 24 Ca 0.06 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.08 3iwt s SER 24 Cb -0.22 1.53 0.04 0.00 -1.71 0.00 0.00 66.02 65.66 3iwt s SER 24 CO -0.03 -0.28 1.69 0.74 1.20 0.00 0.00 173.24 176.56 3iwt h THR 25 N 6.11 1.22 -0.58 6.45 2.02 -1.88 -0.64 112.91 125.62 3iwt h THR 25 Ca -0.21 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3iwt h THR 25 Cb 1.16 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 3iwt h THR 25 CO 0.26 0.27 0.31 0.77 0.37 0.00 0.00 175.52 177.50 3iwt h SER 26 N 0.70 0.73 -0.04 4.18 4.64 -1.97 -1.33 113.55 120.46 3iwt h SER 26 Ca 0.17 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 3iwt h SER 26 Cb 0.24 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3iwt h SER 26 CO -0.01 0.62 -0.65 0.03 -0.87 0.00 0.00 176.83 175.94 3iwt h ARG 27 N 0.78 0.67 -0.56 4.77 3.08 -1.93 -2.70 114.38 118.49 3iwt h ARG 27 Ca 0.20 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.79 3iwt h ARG 27 Cb 0.06 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3iwt h ARG 27 CO -0.03 1.10 0.35 -0.92 -1.07 0.00 0.00 179.97 179.40 3iwt h TYR 28 N 0.48 0.66 -0.62 3.04 3.20 -0.93 -1.44 116.97 121.37 3iwt h TYR 28 Ca -0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3iwt h TYR 28 Cb 1.24 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 3iwt h TYR 28 CO 0.06 0.40 0.27 0.93 -1.64 0.00 0.00 178.16 178.18 3iwt h GLU 29 N 0.71 0.88 -0.63 1.82 5.08 -1.14 -2.01 114.58 119.29 3iwt h GLU 29 Ca 0.22 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3iwt h GLU 29 Cb -0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3iwt h GLU 29 CO -0.07 0.70 0.22 0.87 -1.00 0.00 0.00 179.01 179.73 3iwt h LYS 30 N 0.88 0.96 0.01 2.33 1.57 -1.17 -2.76 116.57 118.39 3iwt h LYS 30 Ca 0.21 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3iwt h LYS 30 Cb 0.13 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3iwt h LYS 30 CO -0.02 0.83 -0.35 1.25 -0.57 0.00 0.00 179.45 180.59 3iwt h LEU 31 N 0.89 -1.04 -0.85 2.94 5.85 -0.59 -0.97 115.31 121.54 3iwt h LEU 31 Ca 0.21 0.13 0.17 0.00 0.84 0.00 0.00 57.88 59.23 3iwt h LEU 31 Cb 0.25 0.41 -0.11 0.00 0.37 0.00 0.00 40.66 41.59 3iwt h LEU 31 CO -0.01 -0.41 0.40 -0.07 -0.34 0.00 0.00 178.44 178.01 3iwt h LEU 32 N -0.51 0.41 0.00 2.25 3.38 -1.32 0.40 115.31 119.93 3iwt h LEU 32 Ca 0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3iwt h LEU 32 Cb 0.59 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3iwt h LEU 32 CO -0.28 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.67 3iwt n LYS 33 N -4.96 0.96 -3.53 1.13 5.02 -0.92 -4.91 118.16 110.95 3iwt n LYS 33 Ca 0.18 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 3iwt n LYS 33 Cb 0.51 -1.43 0.08 0.00 -0.02 0.00 0.00 35.03 34.17 3iwt n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3iwt n LYS 34 N -0.93 -7.49 -4.16 1.97 5.02 0.14 -5.02 118.16 107.70 3iwt n LYS 34 Ca 0.20 0.81 -0.26 0.00 -2.02 0.00 0.00 58.31 57.03 3iwt n LYS 34 Cb 0.09 -5.78 -0.07 0.00 -0.02 0.00 0.00 35.03 29.25 3iwt n LYS 34 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3iwt s GLU 35 N -6.08 2.62 0.43 1.97 2.02 -0.45 -5.03 118.70 114.18 3iwt s GLU 35 Ca 0.45 -1.02 -0.25 0.00 0.02 0.00 0.00 54.97 54.17 3iwt s GLU 35 Cb -0.20 -2.47 -0.08 0.00 0.10 0.00 0.00 34.13 31.48 3iwt s GLU 35 CO 0.71 0.46 1.32 -1.25 0.02 0.00 0.00 175.26 176.52 3iwt s PRO 36 N -3.08 3.81 -0.10 0.39 0.04 -1.26 -4.35 135.00 130.45 3iwt s PRO 36 Ca 0.29 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 3iwt s PRO 36 Cb -0.09 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 3iwt s PRO 36 CO 0.21 -0.63 -0.13 0.44 0.04 0.00 0.00 177.00 176.93 3iwt n ILE 37 N -0.11 0.58 -2.48 0.56 -5.35 -1.26 -4.97 119.36 106.33 3iwt n ILE 37 Ca 0.05 -0.16 -0.02 0.00 -0.27 0.00 0.00 62.75 62.34 3iwt n ILE 37 Cb 0.44 -1.46 -0.02 0.00 -1.74 0.00 0.00 39.64 36.86 3iwt n ILE 37 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3iwt n VAL 38 N -3.31-11.46 -3.66 7.28 0.31 -1.26 -4.98 118.33 101.24 3iwt n VAL 38 Ca -0.20 2.59 -0.36 0.00 -0.01 0.00 0.00 64.34 66.36 3iwt n VAL 38 Cb 0.66 -5.71 -0.08 0.00 -0.91 0.00 0.00 33.84 27.80 3iwt n VAL 38 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3iwt s ASP 39 N -0.54 5.69 0.16 4.52 2.15 -1.26 -4.96 116.67 122.43 3iwt s ASP 39 Ca -0.12 -3.35 -0.15 0.00 0.43 0.00 0.00 52.55 49.35 3iwt s ASP 39 Cb 0.01 -1.89 0.03 0.00 -0.30 0.00 0.00 42.92 40.76 3iwt s ASP 39 CO 0.33 -0.27 1.79 -0.08 -0.17 0.00 0.00 175.17 176.77 3iwt h GLU 40 N 6.45 0.61 -0.40 4.34 4.81 -1.97 -1.78 114.58 126.64 3iwt h GLU 40 Ca 0.09 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3iwt h GLU 40 Cb 0.87 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3iwt h GLU 40 CO 0.79 0.45 -0.18 0.77 -0.73 0.00 0.00 179.01 180.10 3iwt h SER 41 N 0.60 0.85 -0.70 1.04 0.02 -1.93 -0.28 113.55 113.15 3iwt h SER 41 Ca 0.16 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 3iwt h SER 41 Cb -0.01 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3iwt h SER 41 CO -0.03 1.06 0.29 1.23 -1.14 0.00 0.00 176.83 178.24 3iwt h GLY 42 N 0.63 1.13 1.01 -3.77 0.00 -1.93 -1.77 103.07 98.37 3iwt h GLY 42 Ca 0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3iwt h GLY 42 CO 0.06 0.57 0.30 -0.55 0.00 0.00 0.00 176.54 176.92 3iwt h ASP 43 N 1.00 0.90 -0.41 0.19 3.32 -1.14 -1.41 116.42 118.87 3iwt h ASP 43 Ca 0.24 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3iwt h ASP 43 Cb 0.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3iwt h ASP 43 CO -0.02 0.80 0.26 0.40 -1.72 0.00 0.00 179.24 178.96 3iwt h ILE 44 N 0.93 1.09 0.18 0.35 2.04 -0.80 -1.25 117.51 120.05 3iwt h ILE 44 Ca 0.23 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3iwt h ILE 44 Cb 0.16 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3iwt h ILE 44 CO -0.02 0.10 -0.10 0.40 0.00 0.00 0.00 178.15 178.52 3iwt h ILE 45 N 0.54 0.78 -0.37 -0.67 2.04 -1.03 -1.00 117.51 117.80 3iwt h ILE 45 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 3iwt h ILE 45 Cb -0.04 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3iwt h ILE 45 CO -0.05 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.34 3iwt h LYS 46 N -0.27 0.27 -0.19 2.37 1.57 -1.20 -1.47 116.57 117.64 3iwt h LYS 46 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3iwt h LYS 46 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3iwt h LYS 46 CO 0.02 0.18 0.13 0.37 -0.57 0.00 0.00 179.45 179.58 3iwt h GLN 47 N 0.28 0.25 -0.29 3.15 4.15 -1.09 -1.31 115.11 120.25 3iwt h GLN 47 Ca 0.17 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.45 3iwt h GLN 47 Cb 0.15 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3iwt h GLN 47 CO -0.18 0.17 -0.35 -0.07 -1.93 0.00 0.00 178.83 176.47 3iwt h LEU 48 N 0.26 0.66 0.03 -2.39 3.38 -1.08 -0.53 115.31 115.63 3iwt h LEU 48 Ca 0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3iwt h LEU 48 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3iwt h LEU 48 CO -0.01 0.96 -0.01 -0.07 0.09 0.00 0.00 178.44 179.39 3iwt h LEU 49 N 0.53 -0.03 -0.43 1.67 3.38 -1.11 -2.33 115.31 116.99 3iwt h LEU 49 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3iwt h LEU 49 Cb 0.85 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3iwt h LEU 49 CO 0.07 0.30 0.25 0.40 0.09 0.00 0.00 178.44 179.55 3iwt h ILE 50 N -0.36 1.15 -0.13 1.22 2.04 -1.21 -1.19 117.51 119.03 3iwt h ILE 50 Ca -0.00 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.54 3iwt h ILE 50 Cb 0.34 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3iwt h ILE 50 CO 0.01 0.15 0.12 -0.08 0.00 0.00 0.00 178.15 178.35 3iwt h GLU 51 N 0.57 0.00 -0.64 2.37 4.81 -1.11 -1.06 114.58 119.52 3iwt h GLU 51 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3iwt h GLU 51 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3iwt h GLU 51 CO -0.03 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.34 3iwt n ASN 52 N -4.03 4.28 0.00 1.04 3.02 -0.65 -4.94 115.26 113.98 3iwt n ASN 52 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 3iwt n ASN 52 Cb 0.23 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3iwt n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwt n GLY 53 N 0.93 0.64 3.98 7.41 0.00 -0.40 -5.01 105.19 112.74 3iwt n GLY 53 Ca 0.22 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3iwt n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iwt s HIS 54 N -2.00 2.99 0.03 1.61 3.76 -0.54 -4.43 115.29 116.71 3iwt s HIS 54 Ca 0.00 -0.08 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 3iwt s HIS 54 Cb 0.00 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 3iwt s HIS 54 CO 0.00 -0.47 -0.16 0.15 -0.85 0.00 0.00 174.74 173.41 3iwt s LYS 55 N -4.50 2.19 -0.42 1.40 -0.14 -0.19 -3.98 119.74 114.09 3iwt s LYS 55 Ca 0.52 -0.91 -0.13 0.00 -1.36 0.00 0.00 55.97 54.09 3iwt s LYS 55 Cb -0.10 -2.26 0.05 0.00 -1.68 0.00 0.00 37.83 33.85 3iwt s LYS 55 CO 0.36 0.56 0.29 0.42 -0.76 0.00 0.00 175.35 176.22 3iwt s ILE 56 N -0.93 4.80 -2.75 2.17 -1.09 -1.26 -0.42 121.20 121.73 3iwt s ILE 56 Ca 0.15 -1.03 0.22 0.00 -2.23 0.00 0.00 60.65 57.76 3iwt s ILE 56 Cb -0.11 -3.81 0.16 0.00 -1.58 0.00 0.00 42.46 37.13 3iwt s ILE 56 CO 0.05 -0.43 1.20 2.30 -1.23 0.00 0.00 174.94 176.84 3iwt n ILE 57 N 5.07 0.00 -3.60 2.92 -5.35 -0.08 -4.94 119.36 113.38 3iwt n ILE 57 Ca -0.11 -0.48 -0.05 0.00 -0.27 0.00 0.00 62.75 61.83 3iwt n ILE 57 Cb 0.45 1.45 -0.02 0.00 -1.74 0.00 0.00 39.64 39.78 3iwt n ILE 57 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3iwt s GLY 58 N -1.92 -0.37 -0.17 3.28 0.00 -1.23 -5.01 107.32 101.89 3iwt s GLY 58 Ca 0.26 0.83 -0.18 0.00 0.00 0.00 0.00 44.72 45.62 3iwt s GLY 58 CO 0.30 0.25 0.51 -0.47 0.00 0.00 0.00 173.10 173.70 3iwt s TYR 59 N -2.98 -0.55 0.07 1.90 5.04 -1.26 -1.54 117.35 118.04 3iwt s TYR 59 Ca 0.09 1.30 -0.06 0.00 -2.44 0.00 0.00 57.07 55.96 3iwt s TYR 59 Cb -0.00 0.20 -0.02 0.00 0.35 0.00 0.00 41.96 42.49 3iwt s TYR 59 CO -0.05 -0.30 0.10 -1.54 -1.34 0.00 0.00 175.55 172.43 3iwt s SER 60 N 0.09 0.27 -0.07 4.32 1.04 -0.77 -4.98 113.70 113.60 3iwt s SER 60 Ca -0.01 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.64 3iwt s SER 60 Cb -0.03 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3iwt s SER 60 CO 0.01 -0.68 -0.09 -0.22 0.98 0.00 0.00 173.24 173.24 3iwt s LEU 61 N -2.88 1.49 0.05 2.42 2.96 -1.26 -1.29 118.68 120.16 3iwt s LEU 61 Ca 0.06 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3iwt s LEU 61 Cb 0.06 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 3iwt s LEU 61 CO -0.11 -0.01 -0.03 0.68 -1.32 0.00 0.00 176.35 175.56 3iwt s VAL 62 N 0.89 0.25 0.65 1.68 -7.23 -0.47 -4.96 120.40 111.22 3iwt s VAL 62 Ca -0.11 -1.70 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 3iwt s VAL 62 Cb -0.15 -1.36 0.14 0.00 0.56 0.00 0.00 36.38 35.57 3iwt s VAL 62 CO 0.01 -0.92 0.89 -0.81 -0.31 0.00 0.00 175.10 173.96 3iwt n PRO 63 N 0.30 -0.37 -1.39 4.82 -0.04 -1.26 -0.59 135.00 136.47 3iwt n PRO 63 Ca -0.15 -1.94 -0.39 0.00 -0.04 0.00 0.00 63.50 60.97 3iwt n PRO 63 Cb 0.60 -0.74 -0.02 0.00 -0.04 0.00 0.00 33.50 33.30 3iwt n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iwt n ASP 64 N -3.22 4.54 -4.03 3.54 8.00 -1.26 -4.63 116.55 119.49 3iwt n ASP 64 Ca 0.13 -2.69 -0.25 0.00 0.71 0.00 0.00 54.79 52.69 3iwt n ASP 64 Cb 0.46 -1.44 -0.17 0.00 -0.02 0.00 0.00 41.12 39.96 3iwt n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3iwt s ASP 65 N 3.49 1.82 0.08 -2.24 2.15 -1.26 -4.96 116.67 115.75 3iwt s ASP 65 Ca 0.53 -0.31 -0.30 0.00 0.43 0.00 0.00 52.55 52.90 3iwt s ASP 65 Cb 0.14 -0.82 -0.16 0.00 -0.30 0.00 0.00 42.92 41.78 3iwt s ASP 65 CO -0.03 0.04 1.64 0.50 -0.17 0.00 0.00 175.17 177.16 3iwt h LYS 66 N 6.91 -0.67 -0.71 4.34 3.64 -1.96 -0.01 116.57 128.12 3iwt h LYS 66 Ca -0.31 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3iwt h LYS 66 Cb 1.19 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 3iwt h LYS 66 CO 0.47 -0.44 0.46 0.82 -2.27 0.00 0.00 179.45 178.49 3iwt h ILE 67 N -0.69 1.19 -0.43 2.00 2.04 -1.98 0.37 117.51 120.01 3iwt h ILE 67 Ca -0.05 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3iwt h ILE 67 Cb 0.56 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3iwt h ILE 67 CO 0.06 0.18 -0.02 0.11 0.00 0.00 0.00 178.15 178.49 3iwt h LYS 68 N 0.96 0.70 -0.15 2.37 1.57 -1.87 -0.28 116.57 119.87 3iwt h LYS 68 Ca 0.26 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3iwt h LYS 68 Cb -0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3iwt h LYS 68 CO -0.05 0.73 -0.01 0.82 -0.57 0.00 0.00 179.45 180.36 3iwt h ILE 69 N 0.66 1.26 -0.52 1.86 2.04 -0.54 -1.67 117.51 120.59 3iwt h ILE 69 Ca 0.13 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.17 3iwt h ILE 69 Cb 0.43 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3iwt h ILE 69 CO 0.02 0.26 0.25 -0.07 0.00 0.00 0.00 178.15 178.61 3iwt h LEU 70 N 0.01 0.34 -0.70 1.44 3.38 -0.75 -1.71 115.31 117.32 3iwt h LEU 70 Ca 0.04 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3iwt h LEU 70 Cb 0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3iwt h LEU 70 CO 0.01 0.24 0.35 0.50 0.09 0.00 0.00 178.44 179.63 3iwt h LYS 71 N 0.48 1.00 -0.49 1.13 3.64 -0.99 -0.57 116.57 120.77 3iwt h LYS 71 Ca 0.23 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3iwt h LYS 71 Cb 0.16 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3iwt h LYS 71 CO -0.18 0.78 0.29 0.00 -2.27 0.00 0.00 179.45 178.07 3iwt h ALA 72 N 1.17 0.62 -0.36 5.00 0.00 -0.93 -0.58 119.26 124.18 3iwt h ALA 72 Ca 0.24 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3iwt h ALA 72 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iwt h ALA 72 CO -0.03 -0.01 -0.34 0.74 0.00 0.00 0.00 179.25 179.60 3iwt h PHE 73 N 0.58 1.05 -0.24 0.00 -1.00 -1.07 -2.70 116.94 113.56 3iwt h PHE 73 Ca 0.19 -0.31 -0.18 0.00 2.81 0.00 0.00 57.97 60.48 3iwt h PHE 73 Cb 0.01 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.35 3iwt h PHE 73 CO -0.07 1.12 -0.57 1.79 -1.61 0.00 0.00 178.31 178.97 3iwt h THR 74 N 0.68 1.29 -0.63 -1.55 1.35 -1.00 -0.27 112.91 112.79 3iwt h THR 74 Ca 0.06 -1.78 0.11 0.00 -0.55 0.00 0.00 66.41 64.24 3iwt h THR 74 Cb 0.93 1.71 -0.08 0.00 -1.73 0.00 0.00 68.15 68.98 3iwt h THR 74 CO 0.09 0.57 0.21 0.44 -0.25 0.00 0.00 175.52 176.58 3iwt h ASP 75 N 0.58 0.18 -0.39 5.36 3.32 -1.14 -0.38 116.42 123.95 3iwt h ASP 75 Ca 0.01 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3iwt h ASP 75 Cb 1.16 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3iwt h ASP 75 CO 0.12 0.10 -0.10 0.00 -1.72 0.00 0.00 179.24 177.64 3iwt h ALA 76 N 1.45 0.54 -0.07 3.45 0.00 -1.15 -3.10 119.26 120.38 3iwt h ALA 76 Ca 0.33 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3iwt h ALA 76 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iwt h ALA 76 CO -0.35 0.40 -0.10 -0.07 0.00 0.00 0.00 179.25 179.14 3iwt h LEU 77 N 0.56 0.09 0.00 0.00 3.38 -0.77 -2.55 115.31 116.03 3iwt h LEU 77 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iwt h LEU 77 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3iwt h LEU 77 CO 0.04 0.21 0.00 -1.20 0.09 0.00 0.00 178.44 177.58 3iwt n SER 78 N -4.36 0.00 -4.52 -0.43 7.64 -0.18 -4.60 113.62 107.16 3iwt n SER 78 Ca -0.02 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.46 3iwt n SER 78 Cb 0.21 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 3iwt n SER 78 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3iwt s ILE 79 N -2.61 4.89 0.33 0.44 1.01 -0.96 -4.96 121.20 119.34 3iwt s ILE 79 Ca 0.20 0.13 0.05 0.00 0.00 0.00 0.00 60.65 61.03 3iwt s ILE 79 Cb 0.15 -4.14 0.30 0.00 0.01 0.00 0.00 42.46 38.78 3iwt s ILE 79 CO 0.34 -0.50 1.88 0.44 0.00 0.00 0.00 174.94 177.10 3iwt h ASP 80 N 8.76 0.76 0.95 3.58 3.32 -1.87 -1.93 116.42 129.99 3iwt h ASP 80 Ca -0.26 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3iwt h ASP 80 Cb 1.10 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3iwt h ASP 80 CO 0.86 0.42 0.00 -0.33 -1.72 0.00 0.00 179.24 178.47 3iwt h GLU 81 N 0.83 0.00 -6.46 3.56 3.07 -1.94 -3.44 114.58 110.20 3iwt h GLU 81 Ca 0.44 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.76 3iwt h GLU 81 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3iwt h GLU 81 CO -0.20 0.00 0.83 0.08 -1.40 0.00 0.00 179.01 178.32 3iwt s VAL 82 N -3.47 3.41 -0.24 3.13 1.01 -0.73 -4.59 120.40 118.92 3iwt s VAL 82 Ca 0.03 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.93 3iwt s VAL 82 Cb 0.09 -3.58 -0.18 0.00 0.00 0.00 0.00 36.38 32.71 3iwt s VAL 82 CO 0.48 0.03 -0.16 0.47 0.00 0.00 0.00 175.10 175.92 3iwt n ASP 83 N 4.86 2.00 -3.88 3.32 8.00 0.22 -4.87 116.55 126.21 3iwt n ASP 83 Ca 0.13 -0.10 -0.15 0.00 0.71 0.00 0.00 54.79 55.38 3iwt n ASP 83 Cb 0.42 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 3iwt n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwt s VAL 84 N -2.52 0.18 -0.15 2.53 1.01 -0.85 -1.79 120.40 118.81 3iwt s VAL 84 Ca -0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3iwt s VAL 84 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3iwt s VAL 84 CO 0.62 0.09 -0.08 -0.63 0.00 0.00 0.00 175.10 175.10 3iwt s ILE 85 N 0.34 3.53 -0.13 2.22 1.01 0.23 -0.89 121.20 127.51 3iwt s ILE 85 Ca -0.03 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3iwt s ILE 85 Cb -0.06 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.91 3iwt s ILE 85 CO -0.01 0.50 -0.15 -0.63 0.00 0.00 0.00 174.94 174.65 3iwt s ILE 86 N 0.39 1.60 0.18 2.92 1.01 -0.50 -0.66 121.20 126.14 3iwt s ILE 86 Ca -0.07 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3iwt s ILE 86 Cb -0.15 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3iwt s ILE 86 CO 0.04 0.46 0.05 -0.94 0.00 0.00 0.00 174.94 174.55 3iwt s SER 87 N 1.22 5.02 -0.09 3.58 1.04 -0.29 -1.14 113.70 123.03 3iwt s SER 87 Ca -0.01 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3iwt s SER 87 Cb -0.14 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 64.85 3iwt s SER 87 CO -0.06 0.07 -0.07 0.28 0.98 0.00 0.00 173.24 174.44 3iwt s THR 88 N -1.79 0.91 0.00 2.02 -1.32 -0.09 -0.77 115.64 114.59 3iwt s THR 88 Ca 0.29 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3iwt s THR 88 Cb -0.09 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 3iwt s THR 88 CO 0.20 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 3iwt n GLY 89 N 4.68 3.66 1.86 6.08 0.00 -0.28 -0.70 105.19 120.50 3iwt n GLY 89 Ca -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3iwt n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwt n GLY 90 N -0.80 0.46 0.82 -0.02 0.00 -1.26 -4.74 105.19 99.66 3iwt n GLY 90 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.20 3iwt n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iwt n THR 91 N -3.54 1.33 -1.50 2.61 -2.24 -1.26 -2.17 114.28 107.51 3iwt n THR 91 Ca 0.00 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 3iwt n THR 91 Cb 0.33 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3iwt n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iwt n GLY 92 N 0.45 2.45 0.54 3.38 0.00 -1.26 -0.70 105.19 110.05 3iwt n GLY 92 Ca 0.16 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.30 3iwt n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iwt n TYR 93 N 0.00 0.50 -1.72 1.61 4.01 -1.26 -4.76 117.16 115.54 3iwt n TYR 93 Ca 0.00 -0.73 -0.41 0.00 -0.16 0.00 0.00 57.90 56.60 3iwt n TYR 93 Cb 0.00 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 38.88 3iwt n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3iwt n SER 94 N -0.36 2.85 0.28 7.72 2.88 -1.26 -4.88 113.62 120.86 3iwt n SER 94 Ca 0.14 1.13 0.18 0.00 -1.33 0.00 0.00 58.87 58.99 3iwt n SER 94 Cb 0.61 -1.53 0.95 0.00 -0.75 0.00 0.00 64.21 63.49 3iwt n SER 94 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iwt h PRO 95 N 2.23 0.00 -0.01 -1.46 0.11 -2.04 -1.71 132.00 129.11 3iwt h PRO 95 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iwt h PRO 95 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iwt h PRO 95 CO 0.61 0.00 -0.32 0.25 -0.21 0.00 0.00 178.00 178.33 3iwt n THR 96 N -3.42 0.00 -2.40 -1.15 -2.24 -1.26 -4.84 114.28 98.96 3iwt n THR 96 Ca -0.01 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 3iwt n THR 96 Cb 0.24 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 3iwt n THR 96 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iwt s ASP 97 N -2.45 6.35 -0.00 3.42 1.01 -0.65 -4.83 116.67 119.52 3iwt s ASP 97 Ca 0.23 0.67 0.00 0.00 0.71 0.00 0.00 52.55 54.17 3iwt s ASP 97 Cb 0.19 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.58 3iwt s ASP 97 CO 0.52 -1.45 0.78 2.30 0.21 0.00 0.00 175.17 177.53 3iwt n ILE 98 N 7.01 0.54 -0.04 0.77 -5.35 -1.19 -4.87 119.36 116.23 3iwt n ILE 98 Ca 0.15 -0.55 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 3iwt n ILE 98 Cb 0.48 0.71 -0.05 0.00 -1.74 0.00 0.00 39.64 39.04 3iwt n ILE 98 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3iwt h THR 99 N 1.52 1.17 -0.24 7.28 2.02 -1.73 -0.62 112.91 122.31 3iwt h THR 99 Ca 0.00 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 3iwt h THR 99 Cb 0.76 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3iwt h THR 99 CO 0.00 0.16 -0.29 0.58 0.37 0.00 0.00 175.52 176.34 3iwt h VAL 100 N 0.10 1.32 -0.41 3.16 2.07 -1.91 -0.97 116.25 119.61 3iwt h VAL 100 Ca 0.05 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 3iwt h VAL 100 Cb 0.20 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3iwt h VAL 100 CO -0.00 0.46 0.05 -0.33 0.02 0.00 0.00 177.57 177.77 3iwt h GLU 101 N 0.33 0.63 0.07 1.57 3.07 -1.90 -0.82 114.58 117.52 3iwt h GLU 101 Ca 0.03 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3iwt h GLU 101 Cb 0.87 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3iwt h GLU 101 CO 0.07 0.61 -0.03 1.15 -1.40 0.00 0.00 179.01 179.41 3iwt h THR 102 N 0.60 1.23 0.00 1.13 2.02 -0.82 -3.39 112.91 113.69 3iwt h THR 102 Ca 0.13 -1.31 -0.21 0.00 0.77 0.00 0.00 66.41 65.80 3iwt h THR 102 Cb 0.30 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 3iwt h THR 102 CO 0.00 0.31 -1.45 0.40 0.37 0.00 0.00 175.52 175.16 3iwt h ILE 103 N -0.72 0.66 0.00 3.11 1.08 -1.11 -3.33 117.51 117.20 3iwt h ILE 103 Ca -0.01 -2.27 -0.02 0.00 -0.39 0.00 0.00 64.86 62.17 3iwt h ILE 103 Cb 0.58 2.20 -0.00 0.00 -3.07 0.00 0.00 36.82 36.53 3iwt h ILE 103 CO 0.02 0.38 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.68 3iwt h ARG 104 N 0.00 0.00 -0.82 2.37 2.43 -1.35 0.37 114.38 117.38 3iwt h ARG 104 Ca -0.19 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3iwt h ARG 104 Cb 1.72 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.23 3iwt h ARG 104 CO 0.06 0.09 0.55 0.87 -1.51 0.00 0.00 179.97 180.02 3iwt h LYS 105 N 0.00 1.06 0.00 0.20 1.79 -1.75 -2.89 116.57 114.97 3iwt h LYS 105 Ca -0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3iwt h LYS 105 Cb 0.18 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3iwt h LYS 105 CO 0.01 0.70 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.98 3iwt h LEU 106 N 1.09 0.00 -9.55 2.94 3.38 -1.12 -3.46 115.31 108.59 3iwt h LEU 106 Ca 0.31 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.70 3iwt h LEU 106 Cb -0.09 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.72 3iwt h LEU 106 CO -0.07 0.04 0.79 0.49 0.09 0.00 0.00 178.44 179.77 3iwt n PHE 107 N -3.13 2.32 -0.10 1.13 3.72 -1.10 -4.86 117.46 115.44 3iwt n PHE 107 Ca 0.01 0.28 -0.10 0.00 -0.05 0.00 0.00 57.45 57.60 3iwt n PHE 107 Cb 0.38 -2.54 -0.02 0.00 -0.94 0.00 0.00 39.48 36.35 3iwt n PHE 107 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3iwt h ASP 108 N 5.62 0.44 -3.50 4.37 3.32 -1.08 -3.44 116.42 122.14 3iwt h ASP 108 Ca -0.45 -0.15 -0.32 0.00 0.02 0.00 0.00 57.03 56.14 3iwt h ASP 108 Cb 1.25 -0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.35 3iwt h ASP 108 CO 0.86 0.47 -0.74 -0.13 -1.72 0.00 0.00 179.24 177.99 3iwt s ARG 109 N -5.62 0.07 0.15 3.56 0.52 -1.14 -5.02 118.95 111.47 3iwt s ARG 109 Ca -0.13 0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 3iwt s ARG 109 Cb 0.09 -0.33 -0.07 0.00 0.52 0.00 0.00 34.95 35.16 3iwt s ARG 109 CO 0.73 -0.17 0.96 -2.00 0.02 0.00 0.00 175.30 174.84 3iwt s GLU 110 N 1.10 4.74 -0.95 3.54 2.12 -1.26 -0.96 118.70 127.03 3iwt s GLU 110 Ca -0.09 1.46 -0.20 0.00 0.36 0.00 0.00 54.97 56.50 3iwt s GLU 110 Cb -0.13 -3.35 0.10 0.00 0.26 0.00 0.00 34.13 31.01 3iwt s GLU 110 CO -0.03 0.30 1.23 0.42 -0.54 0.00 0.00 175.26 176.64 3iwt s ILE 111 N -0.32 4.44 0.24 -3.70 1.01 0.42 -4.87 121.20 118.42 3iwt s ILE 111 Ca 0.45 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3iwt s ILE 111 Cb -0.24 -4.87 0.22 0.00 0.01 0.00 0.00 42.46 37.57 3iwt s ILE 111 CO 0.30 -1.65 1.87 -0.33 0.00 0.00 0.00 174.94 175.13 3iwt h GLU 112 N 9.18 1.25 0.00 2.79 5.08 -1.94 -2.37 114.58 128.57 3iwt h GLU 112 Ca 0.16 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iwt h GLU 112 Cb 1.02 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3iwt h GLU 112 CO 1.22 0.91 0.00 0.41 -1.00 0.00 0.00 179.01 180.54 3iwt n GLY 113 N -1.16 -1.46 0.33 -3.84 0.00 -1.26 -3.46 105.19 94.35 3iwt n GLY 113 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3iwt n GLY 113 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iwt h PHE 114 N 0.00 1.09 0.28 1.61 3.57 -1.79 -1.61 116.94 120.09 3iwt h PHE 114 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iwt h PHE 114 Cb 0.48 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3iwt h PHE 114 CO 0.00 0.67 -0.24 0.66 -2.23 0.00 0.00 178.31 177.17 3iwt h SER 115 N 1.16 -0.62 0.28 0.41 4.64 -1.69 0.02 113.55 117.75 3iwt h SER 115 Ca 0.33 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.50 3iwt h SER 115 Cb -0.09 0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3iwt h SER 115 CO -0.08 -0.36 -0.80 -2.24 -0.87 0.00 0.00 176.83 172.48 3iwt h ASP 116 N -0.53 0.50 -0.23 4.97 2.03 -1.75 -1.98 116.42 119.43 3iwt h ASP 116 Ca -0.02 -0.35 -0.12 0.00 -0.73 0.00 0.00 57.03 55.81 3iwt h ASP 116 Cb 0.48 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 3iwt h ASP 116 CO -0.02 1.12 -0.27 0.58 -1.03 0.00 0.00 179.24 179.61 3iwt h VAL 117 N 0.26 1.28 -0.59 4.15 2.07 -1.26 0.12 116.25 122.28 3iwt h VAL 117 Ca -0.05 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 3iwt h VAL 117 Cb 1.40 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3iwt h VAL 117 CO 0.14 0.46 0.37 0.15 0.02 0.00 0.00 177.57 178.70 3iwt h PHE 118 N 0.61 0.78 -0.13 1.57 3.57 -0.90 -2.02 116.94 120.42 3iwt h PHE 118 Ca 0.08 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3iwt h PHE 118 Cb 0.78 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3iwt h PHE 118 CO 0.04 0.52 -0.24 0.00 -2.23 0.00 0.00 178.31 176.40 3iwt h ARG 119 N 0.80 0.22 0.27 1.11 3.08 -0.93 -0.25 114.38 118.69 3iwt h ARG 119 Ca 0.21 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3iwt h ARG 119 Cb -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3iwt h ARG 119 CO -0.04 0.46 -0.13 1.25 -1.07 0.00 0.00 179.97 180.43 3iwt h LEU 120 N 0.20 -0.31 -0.99 3.04 6.46 -0.35 0.17 115.31 123.53 3iwt h LEU 120 Ca 0.03 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 3iwt h LEU 120 Cb 0.55 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 3iwt h LEU 120 CO 0.04 -0.15 -0.17 -0.37 -0.62 0.00 0.00 178.44 177.18 3iwt h VAL 121 N -0.46 1.25 0.10 1.05 -1.51 -1.32 -2.10 116.25 113.25 3iwt h VAL 121 Ca -0.04 -1.13 -0.00 0.00 -1.23 0.00 0.00 66.70 64.30 3iwt h VAL 121 Cb 0.35 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 3iwt h VAL 121 CO 0.06 0.37 -0.05 0.28 -1.23 0.00 0.00 177.57 177.00 3iwt h SER 122 N 0.49 -0.11 -0.97 4.19 0.02 -0.95 -2.77 113.55 113.45 3iwt h SER 122 Ca 0.08 -0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 3iwt h SER 122 Cb 0.57 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 3iwt h SER 122 CO 0.04 0.00 0.61 0.15 -1.14 0.00 0.00 176.83 176.49 3iwt h PHE 123 N -0.21 1.06 0.00 3.45 3.57 -0.42 -0.65 116.94 123.74 3iwt h PHE 123 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iwt h PHE 123 Cb 0.17 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3iwt h PHE 123 CO -0.04 0.43 0.00 0.09 -2.23 0.00 0.00 178.31 176.56 3iwt n ASN 124 N -4.59 0.06 -4.65 0.41 3.02 -0.81 -3.32 115.26 105.38 3iwt n ASN 124 Ca 0.18 0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.81 3iwt n ASN 124 Cb 0.36 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3iwt n ASN 124 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iwt s ASP 125 N -3.11 6.92 0.27 6.41 -1.08 -0.25 -4.90 116.67 120.93 3iwt s ASP 125 Ca 0.09 1.35 0.20 0.00 -0.52 0.00 0.00 52.55 53.67 3iwt s ASP 125 Cb 0.12 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 40.05 3iwt s ASP 125 CO 0.35 -0.84 1.62 -2.65 0.52 0.00 0.00 175.17 174.17 3iwt n PRO 126 N 6.76 0.14 0.00 4.34 -0.02 -1.26 -0.58 135.00 144.38 3iwt n PRO 126 Ca 0.13 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 3iwt n PRO 126 Cb 0.46 -1.89 0.42 0.00 -0.02 0.00 0.00 33.50 32.47 3iwt n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3iwt n GLU 127 N -2.17 1.04 0.03 -0.52 -0.58 -1.26 -4.56 120.64 112.61 3iwt n GLU 127 Ca -0.00 -0.61 -0.01 0.00 -0.42 0.00 0.00 57.16 56.12 3iwt n GLU 127 Cb 0.09 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.47 3iwt n GLU 127 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3iwt n VAL 128 N -0.45 1.20 0.00 2.62 0.31 0.25 -5.03 118.33 117.23 3iwt n VAL 128 Ca 0.14 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3iwt n VAL 128 Cb 0.35 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3iwt n VAL 128 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iwt n LYS 129 N -3.58 0.00 0.30 5.55 5.02 -0.58 -1.95 118.16 122.91 3iwt n LYS 129 Ca -0.02 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.43 3iwt n LYS 129 Cb 0.08 0.00 0.92 0.00 -0.02 0.00 0.00 35.03 36.01 3iwt n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwt h ALA 130 N -0.54 1.36 0.00 7.82 0.00 -1.93 -0.86 119.26 125.12 3iwt h ALA 130 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwt h ALA 130 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iwt h ALA 130 CO 0.00 0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.59 3iwt h ALA 131 N 1.97 1.28 -0.90 0.00 0.00 -1.79 -2.23 119.26 117.58 3iwt h ALA 131 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3iwt h ALA 131 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3iwt h ALA 131 CO 0.00 -0.28 0.59 0.00 0.00 0.00 0.00 179.25 179.56 3iwt h ALA 132 N 1.32 2.03 0.00 0.00 0.00 -1.34 -1.79 119.26 119.47 3iwt h ALA 132 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwt h ALA 132 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iwt h ALA 132 CO 0.00 -0.31 0.00 2.48 0.00 0.00 0.00 179.25 181.42 3iwt n TYR 133 N -4.55 0.00 0.87 0.00 0.18 -0.84 -3.02 117.16 109.80 3iwt n TYR 133 Ca 0.19 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.06 3iwt n TYR 133 Cb 0.61 -0.16 0.26 0.00 -0.38 0.00 0.00 39.34 39.67 3iwt n TYR 133 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3iwt n LEU 134 N -1.16 2.10 -4.62 -3.48 4.77 -0.67 -4.90 117.00 109.04 3iwt n LEU 134 Ca 0.17 -0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 54.88 3iwt n LEU 134 Cb 0.17 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 3iwt n LEU 134 CO 0.19 0.49 -0.39 0.28 -1.33 0.00 0.00 177.39 176.63 3iwt s THR 135 N -1.59 3.56 -0.15 -5.08 -1.32 -1.17 -4.26 115.64 105.63 3iwt s THR 135 Ca 0.30 -1.27 0.15 0.00 -1.21 0.00 0.00 61.69 59.66 3iwt s THR 135 Cb 0.16 -2.70 0.34 0.00 -1.51 0.00 0.00 72.50 68.79 3iwt s THR 135 CO 0.23 0.05 1.17 0.29 -2.21 0.00 0.00 174.62 174.16 3iwt n LYS 136 N 0.46 1.31 -1.57 7.08 5.02 0.12 -5.02 118.16 125.56 3iwt n LYS 136 Ca -0.12 -2.80 -0.50 0.00 -2.02 0.00 0.00 58.31 52.88 3iwt n LYS 136 Cb 0.53 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 3iwt n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwt n ALA 137 N -1.18 -1.01 -2.31 7.82 0.00 -1.26 -4.94 120.51 117.63 3iwt n ALA 137 Ca 0.16 0.47 -0.10 0.00 0.00 0.00 0.00 53.44 53.98 3iwt n ALA 137 Cb 0.68 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 3iwt n ALA 137 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iwt s SER 138 N 0.01 0.22 0.03 0.00 0.01 -0.73 -4.03 113.70 109.21 3iwt s SER 138 Ca 0.75 -1.14 -0.04 0.00 1.31 0.00 0.00 55.95 56.82 3iwt s SER 138 Cb -0.89 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.67 3iwt s SER 138 CO 0.52 -0.79 0.07 0.00 0.41 0.00 0.00 173.24 173.45 3iwt s ALA 139 N -4.04 -0.03 0.35 1.44 0.00 -1.26 -0.05 121.76 118.17 3iwt s ALA 139 Ca 0.24 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 3iwt s ALA 139 Cb 0.06 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.45 3iwt s ALA 139 CO 0.02 -0.27 0.71 0.41 0.00 0.00 0.00 175.76 176.63 3iwt n GLY 140 N 0.98 1.08 3.09 0.00 0.00 -0.03 -0.44 105.19 109.87 3iwt n GLY 140 Ca -0.20 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 3iwt n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwt s ILE 141 N -2.19 1.45 -0.13 -0.61 1.01 -0.14 -0.73 121.20 119.86 3iwt s ILE 141 Ca 0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3iwt s ILE 141 Cb -0.04 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.18 3iwt s ILE 141 CO 0.10 0.42 -0.02 -0.63 0.00 0.00 0.00 174.94 174.82 3iwt s ILE 142 N 0.53 0.72 0.00 2.92 1.01 -0.32 -0.42 121.20 125.65 3iwt s ILE 142 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3iwt s ILE 142 Cb -0.16 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3iwt s ILE 142 CO 0.05 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3iwt n GLY 143 N 5.02 3.56 1.16 6.18 0.00 -1.26 -1.51 105.19 118.34 3iwt n GLY 143 Ca -0.10 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.86 3iwt n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iwt n LYS 144 N 13.80 2.64 -4.40 1.61 5.02 -1.26 -4.97 118.16 130.60 3iwt n LYS 144 Ca 0.00 -2.99 -0.31 0.00 -2.02 0.00 0.00 58.31 52.98 3iwt n LYS 144 Cb 0.00 -1.89 -0.10 0.00 -0.02 0.00 0.00 35.03 33.01 3iwt n LYS 144 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iwt s LYS 145 N -3.00 2.46 -0.01 1.97 1.02 -0.57 -4.85 119.74 116.77 3iwt s LYS 145 Ca 0.45 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 3iwt s LYS 145 Cb 0.38 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3iwt s LYS 145 CO 0.07 0.58 0.13 0.42 -0.92 0.00 0.00 175.35 175.62 3iwt s ILE 146 N -1.06 5.07 -0.05 2.17 -1.09 -0.74 -1.17 121.20 124.33 3iwt s ILE 146 Ca 0.18 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.34 3iwt s ILE 146 Cb -0.11 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 3iwt s ILE 146 CO 0.09 0.34 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.39 3iwt s VAL 147 N -1.25 0.70 -0.14 2.92 1.01 0.09 -0.60 120.40 123.13 3iwt s VAL 147 Ca 0.25 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.03 3iwt s VAL 147 Cb -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3iwt s VAL 147 CO 0.16 0.26 -0.19 -0.31 0.00 0.00 0.00 175.10 175.02 3iwt s TYR 148 N 0.89 2.71 -0.40 5.22 2.02 0.17 -0.85 117.35 127.10 3iwt s TYR 148 Ca -0.11 -1.14 -0.08 0.00 -0.37 0.00 0.00 57.07 55.37 3iwt s TYR 148 Cb -0.15 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 3iwt s TYR 148 CO 0.01 -0.51 0.23 -0.51 -1.57 0.00 0.00 175.55 173.20 3iwt s LEU 149 N 0.73 5.03 0.26 -1.29 1.43 0.92 -1.14 118.68 124.62 3iwt s LEU 149 Ca -0.08 -1.52 0.07 0.00 -1.03 0.00 0.00 54.13 51.58 3iwt s LEU 149 Cb -0.16 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3iwt s LEU 149 CO 0.01 -0.51 0.18 -0.76 0.23 0.00 0.00 176.35 175.50 3iwt s LEU 150 N 1.38 3.73 1.02 1.79 1.43 0.05 -1.77 118.68 126.31 3iwt s LEU 150 Ca 0.03 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3iwt s LEU 150 Cb -0.22 -2.26 0.20 0.00 0.03 0.00 0.00 46.19 43.94 3iwt s LEU 150 CO 0.01 -0.05 1.08 -2.84 0.23 0.00 0.00 176.35 174.79 3iwt s PRO 151 N -3.83 0.23 0.32 1.29 0.02 -1.26 -1.12 135.00 130.64 3iwt s PRO 151 Ca 0.33 1.01 0.13 0.00 0.02 0.00 0.00 61.00 62.49 3iwt s PRO 151 Cb -0.08 -1.67 0.51 0.00 0.02 0.00 0.00 34.50 33.28 3iwt s PRO 151 CO 0.24 -3.00 1.69 0.78 -0.33 0.00 0.00 177.00 176.38 3iwt h GLY 152 N -2.11 0.00 -4.81 0.52 0.00 -1.85 -3.15 103.07 91.67 3iwt h GLY 152 Ca -0.53 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.27 3iwt h GLY 152 CO 0.49 0.00 1.02 -0.45 0.00 0.00 0.00 176.54 177.60 3iwt s SER 153 N -6.77 6.48 0.27 0.19 0.15 -1.26 -4.74 113.70 108.01 3iwt s SER 153 Ca -0.01 2.71 -0.01 0.00 0.70 0.00 0.00 55.95 59.33 3iwt s SER 153 Cb 0.13 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.32 3iwt s SER 153 CO 0.74 -0.94 1.85 -0.65 1.20 0.00 0.00 173.24 175.44 3iwt h PRO 154 N 7.67 1.00 -0.40 5.44 0.11 -1.95 -1.86 132.00 142.01 3iwt h PRO 154 Ca -0.44 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3iwt h PRO 154 Cb 1.21 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3iwt h PRO 154 CO 0.94 0.66 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.81 3iwt h ASP 155 N 1.03 0.73 -0.43 -2.05 3.32 -1.99 -2.15 116.42 114.88 3iwt h ASP 155 Ca 0.45 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 3iwt h ASP 155 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3iwt h ASP 155 CO -0.23 0.88 -0.21 0.00 -1.72 0.00 0.00 179.24 177.97 3iwt h ALA 156 N 1.18 0.60 -0.49 3.45 0.00 -1.77 -1.85 119.26 120.38 3iwt h ALA 156 Ca 0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3iwt h ALA 156 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3iwt h ALA 156 CO 0.04 0.57 0.01 0.28 0.00 0.00 0.00 179.25 180.16 3iwt h VAL 157 N 0.72 1.26 -0.25 0.00 2.07 -1.30 -0.26 116.25 118.50 3iwt h VAL 157 Ca 0.10 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3iwt h VAL 157 Cb 0.77 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3iwt h VAL 157 CO 0.06 0.37 0.17 0.50 0.02 0.00 0.00 177.57 178.69 3iwt h LYS 158 N 0.72 0.33 -0.25 1.57 3.64 -1.30 -1.11 116.57 120.17 3iwt h LYS 158 Ca 0.14 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3iwt h LYS 158 Cb 0.50 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3iwt h LYS 158 CO 0.02 0.22 0.13 1.25 -2.27 0.00 0.00 179.45 178.80 3iwt h LEU 159 N 0.34 0.20 -0.50 5.20 5.85 -1.13 -0.32 115.31 124.95 3iwt h LEU 159 Ca 0.09 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3iwt h LEU 159 Cb -0.04 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3iwt h LEU 159 CO -0.02 0.15 0.28 0.00 -0.34 0.00 0.00 178.44 178.51 3iwt h ALA 160 N 1.12 0.64 0.06 1.25 0.00 -0.90 -0.88 119.26 120.56 3iwt h ALA 160 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iwt h ALA 160 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iwt h ALA 160 CO -0.06 -0.04 -0.03 -0.07 0.00 0.00 0.00 179.25 179.05 3iwt h LEU 161 N 0.55 -0.07 -0.23 0.00 3.38 -0.83 -0.79 115.31 117.33 3iwt h LEU 161 Ca 0.21 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3iwt h LEU 161 Cb 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3iwt h LEU 161 CO -0.12 0.18 -0.36 0.11 0.09 0.00 0.00 178.44 178.34 3iwt h LYS 162 N -0.31 0.65 0.05 1.13 1.57 -1.02 -0.06 116.57 118.57 3iwt h LYS 162 Ca -0.01 -0.39 -0.30 0.00 -1.87 0.00 0.00 60.65 58.08 3iwt h LYS 162 Cb 0.27 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3iwt h LYS 162 CO 0.01 1.01 -1.68 0.93 -0.57 0.00 0.00 179.45 179.15 3iwt h GLU 163 N 0.35 0.11 0.00 3.15 4.39 -1.22 -3.42 114.58 117.94 3iwt h GLU 163 Ca 0.02 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3iwt h GLU 163 Cb 0.95 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3iwt h GLU 163 CO 0.08 0.81 -0.94 1.28 -1.16 0.00 0.00 179.01 179.09 3iwt n LEU 164 N -3.24 2.38 -0.05 1.33 4.77 -0.45 -4.76 117.00 116.98 3iwt n LEU 164 Ca -0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3iwt n LEU 164 Cb 1.04 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3iwt n LEU 164 CO 0.46 0.39 -0.01 0.40 -1.33 0.00 0.00 177.39 177.30 3iwt h ILE 165 N 0.00 0.00 -0.66 -0.08 2.04 -1.17 -3.30 117.51 114.34 3iwt h ILE 165 Ca 0.00 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 64.96 3iwt h ILE 165 Cb 0.94 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3iwt h ILE 165 CO 0.00 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.39 3iwt h LEU 166 N -0.98 0.40 -1.54 1.44 3.38 -1.25 -0.05 115.31 116.71 3iwt h LEU 166 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3iwt h LEU 166 Cb 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3iwt h LEU 166 CO 0.00 0.24 -0.21 -0.65 0.09 0.00 0.00 178.44 177.91 3iwt h PRO 167 N 0.55 0.03 0.00 1.13 0.11 -1.79 -3.36 132.00 128.67 3iwt h PRO 167 Ca 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3iwt h PRO 167 Cb 0.33 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3iwt h PRO 167 CO -0.26 0.24 -0.35 0.39 -0.21 0.00 0.00 178.00 177.82 3iwt n GLU 168 N -4.28 4.80 -0.06 1.05 -0.58 -0.85 -4.77 120.64 115.95 3iwt n GLU 168 Ca -0.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.68 3iwt n GLU 168 Cb 0.28 -0.74 0.19 0.00 -0.57 0.00 0.00 31.44 30.60 3iwt n GLU 168 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3iwt h VAL 169 N 0.00 1.24 -0.03 2.62 3.04 -1.17 -1.58 116.25 120.38 3iwt h VAL 169 Ca 0.00 -1.05 0.02 0.00 -1.01 0.00 0.00 66.70 64.65 3iwt h VAL 169 Cb 0.09 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 3iwt h VAL 169 CO 0.00 0.36 -0.06 1.23 -1.01 0.00 0.00 177.57 178.09 3iwt h GLY 170 N 0.96 -0.04 1.28 3.17 0.00 -1.83 -0.42 103.07 106.19 3iwt h GLY 170 Ca 0.12 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3iwt h GLY 170 CO 0.03 -0.07 0.12 0.84 0.00 0.00 0.00 176.54 177.46 3iwt h HIS 171 N -0.09 0.93 -0.36 5.60 6.17 -1.82 -1.45 115.15 124.12 3iwt h HIS 171 Ca 0.04 -0.10 -0.07 0.00 0.71 0.00 0.00 60.37 60.95 3iwt h HIS 171 Cb 0.14 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.79 3iwt h HIS 171 CO -0.14 0.79 -0.03 1.25 0.71 0.00 0.00 177.93 180.50 3iwt h LEU 172 N 0.85 0.66 -0.46 0.26 5.85 -1.08 0.18 115.31 121.57 3iwt h LEU 172 Ca 0.18 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3iwt h LEU 172 Cb 0.34 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3iwt h LEU 172 CO 0.00 0.83 0.30 0.58 -0.34 0.00 0.00 178.44 179.81 3iwt h VAL 173 N 0.47 1.13 -0.07 1.05 2.07 -0.91 -1.09 116.25 118.91 3iwt h VAL 173 Ca 0.10 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3iwt h VAL 173 Cb 0.51 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3iwt h VAL 173 CO 0.02 0.12 -0.19 0.22 0.02 0.00 0.00 177.57 177.77 3iwt h TYR 174 N 0.62 -0.49 -0.20 1.57 3.20 -1.15 -2.67 116.97 117.85 3iwt h TYR 174 Ca 0.17 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3iwt h TYR 174 Cb -0.05 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3iwt h TYR 174 CO -0.04 -0.26 0.04 1.25 -1.64 0.00 0.00 178.16 177.51 3iwt h LEU 175 N -0.27 0.02 -1.60 2.82 5.85 -0.57 -1.93 115.31 119.64 3iwt h LEU 175 Ca 0.08 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3iwt h LEU 175 Cb 0.38 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3iwt h LEU 175 CO -0.22 0.04 -0.06 -0.37 -0.34 0.00 0.00 178.44 177.49 3iwt h VAL 176 N 0.13 0.19 -0.30 1.05 -1.51 -1.17 -2.02 116.25 112.62 3iwt h VAL 176 Ca 0.09 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3iwt h VAL 176 Cb 0.08 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3iwt h VAL 176 CO -0.11 0.06 0.00 0.54 -1.23 0.00 0.00 177.57 176.83 3iwt n ARG 177 N -3.22 2.15 0.00 5.19 1.74 -0.90 -4.91 116.66 116.72 3iwt n ARG 177 Ca -0.00 -1.74 0.06 0.00 -0.77 0.00 0.00 57.85 55.40 3iwt n ARG 177 Cb 0.30 -1.45 0.37 0.00 -1.02 0.00 0.00 32.46 30.65 3iwt n ARG 177 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54