#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfo n SER 2 N 0.00 0.00 -3.60 1.61 3.41 -1.26 -5.19 113.62 108.59 1wfo n SER 2 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1wfo n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1wfo n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfo s SER 3 N 0.00 -0.12 0.38 4.04 1.04 -1.26 -5.19 113.70 112.59 1wfo s SER 3 Ca 0.00 -0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.30 1wfo s SER 3 Cb 0.00 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.31 1wfo s SER 3 CO 0.00 -0.25 0.67 0.61 0.98 0.00 0.00 173.24 175.24 1wfo n GLY 4 N -0.19 1.45 3.70 7.32 0.00 -1.26 -5.19 105.19 111.02 1wfo n GLY 4 Ca -0.02 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1wfo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfo s SER 5 N -3.13 -0.33 0.24 1.61 0.01 -1.26 -5.19 113.70 105.65 1wfo s SER 5 Ca 0.22 -0.36 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 1wfo s SER 5 Cb -0.03 0.62 0.04 0.00 0.21 0.00 0.00 66.02 66.86 1wfo s SER 5 CO 0.16 -1.11 0.81 -0.94 0.41 0.00 0.00 173.24 172.57 1wfo s SER 6 N -2.84 -0.21 0.34 2.44 1.04 -1.26 -5.19 113.70 108.01 1wfo s SER 6 Ca 0.08 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 1wfo s SER 6 Cb -0.03 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1wfo s SER 6 CO -0.00 -1.22 0.46 0.61 0.98 0.00 0.00 173.24 174.06 1wfo n GLY 7 N -0.47 2.20 3.65 7.32 0.00 -1.26 -5.17 105.19 111.45 1wfo n GLY 7 Ca -0.05 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 1wfo n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wfo s ARG 8 N -2.82 0.24 0.16 1.61 1.04 -1.26 -5.17 118.95 112.75 1wfo s ARG 8 Ca 0.29 0.39 0.10 0.00 -1.04 0.00 0.00 55.73 55.47 1wfo s ARG 8 Cb -0.01 0.06 -0.04 0.00 -2.04 0.00 0.00 34.95 32.92 1wfo s ARG 8 CO 0.21 -0.05 -0.17 0.42 -0.04 0.00 0.00 175.30 175.67 1wfo s ILE 9 N 1.07 2.84 -0.76 4.99 1.01 -1.26 -5.08 121.20 124.01 1wfo s ILE 9 Ca -0.07 -1.68 0.03 0.00 0.00 0.00 0.00 60.65 58.93 1wfo s ILE 9 Cb -0.03 -2.35 0.25 0.00 0.01 0.00 0.00 42.46 40.33 1wfo s ILE 9 CO -0.12 -0.02 0.85 0.61 0.00 0.00 0.00 174.94 176.25 1wfo n GLY 10 N 0.42 4.69 3.86 6.18 0.00 -1.26 -5.06 105.19 114.02 1wfo n GLY 10 Ca -0.13 -2.71 -0.33 0.00 0.00 0.00 0.00 46.02 42.85 1wfo n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wfo s ASP 11 N -1.93 6.71 -0.19 1.61 -1.08 -1.26 -5.07 116.67 115.46 1wfo s ASP 11 Ca 0.35 1.07 0.01 0.00 -0.52 0.00 0.00 52.55 53.46 1wfo s ASP 11 Cb 0.08 -2.29 0.03 0.00 -1.46 0.00 0.00 42.92 39.28 1wfo s ASP 11 CO -0.03 -0.09 -0.17 -0.83 0.52 0.00 0.00 175.17 174.57 1wfo s GLY 12 N -2.23 1.38 -0.39 2.66 0.00 -1.26 -5.05 107.32 102.43 1wfo s GLY 12 Ca 0.48 -1.25 0.07 0.00 0.00 0.00 0.00 44.72 44.03 1wfo s GLY 12 CO 0.20 0.38 0.61 -1.35 0.00 0.00 0.00 173.10 172.94 1wfo s SER 13 N 1.30 -1.43 -0.04 1.64 1.04 -1.26 -5.13 113.70 109.82 1wfo s SER 13 Ca 0.03 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 1wfo s SER 13 Cb -0.14 1.92 -0.04 0.00 0.10 0.00 0.00 66.02 67.86 1wfo s SER 13 CO -0.11 -0.19 1.21 -2.16 0.98 0.00 0.00 173.24 172.96 1wfo s PRO 14 N 1.99 4.36 0.53 4.02 0.04 -1.26 -4.78 135.00 139.90 1wfo s PRO 14 Ca 0.15 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1wfo s PRO 14 Cb -0.05 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1wfo s PRO 14 CO -0.10 -0.43 0.00 0.45 0.04 0.00 0.00 177.00 176.96 1wfo n SER 15 N 5.03 -7.07 -3.63 6.66 2.88 -1.26 -5.07 113.62 111.16 1wfo n SER 15 Ca 0.11 1.46 -0.06 0.00 -1.33 0.00 0.00 58.87 59.05 1wfo n SER 15 Cb 0.46 -4.30 -0.06 0.00 -0.75 0.00 0.00 64.21 59.57 1wfo n SER 15 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1wfo s HIS 16 N -4.71 -0.21 0.34 0.66 -3.43 -1.26 -5.16 115.29 101.52 1wfo s HIS 16 Ca 0.00 0.44 -0.27 0.00 -0.80 0.00 0.00 55.06 54.43 1wfo s HIS 16 Cb 0.00 0.45 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 1wfo s HIS 16 CO 0.00 -0.15 1.07 -1.25 -2.00 0.00 0.00 174.74 172.41 1wfo s PRO 17 N -0.51 4.41 0.68 -0.38 0.04 -1.26 -5.03 135.00 132.95 1wfo s PRO 17 Ca 0.05 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1wfo s PRO 17 Cb -0.03 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1wfo s PRO 17 CO -0.07 0.05 1.06 -1.25 0.04 0.00 0.00 177.00 176.82 1wfo s PRO 18 N -1.95 3.00 -0.11 0.56 0.04 -1.26 -5.04 135.00 130.23 1wfo s PRO 18 Ca 0.51 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 1wfo s PRO 18 Cb -0.27 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1wfo s PRO 18 CO 0.34 -1.05 0.31 0.42 0.04 0.00 0.00 177.00 177.05 1wfo s ILE 19 N -2.98 5.26 -0.30 0.56 1.01 -1.26 -5.05 121.20 118.45 1wfo s ILE 19 Ca 0.59 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.78 1wfo s ILE 19 Cb -0.14 -3.62 0.19 0.00 0.01 0.00 0.00 42.46 38.89 1wfo s ILE 19 CO 0.53 0.47 0.70 -0.22 0.00 0.00 0.00 174.94 176.41 1wfo s LEU 20 N -0.13 -1.19 -0.49 2.97 2.96 -1.26 -5.09 118.68 116.45 1wfo s LEU 20 Ca 0.18 0.77 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 1wfo s LEU 20 Cb -0.14 2.01 0.22 0.00 0.50 0.00 0.00 46.19 48.78 1wfo s LEU 20 CO 0.06 -0.22 0.52 -0.62 -1.32 0.00 0.00 176.35 174.77 1wfo n GLU 21 N 5.44 1.13 -3.30 1.98 1.02 -1.26 -4.98 120.64 120.66 1wfo n GLU 21 Ca -0.03 -3.70 -0.19 0.00 -0.02 0.00 0.00 57.16 53.23 1wfo n GLU 21 Cb 0.52 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 30.25 1wfo n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wfo n ARG 22 N 1.73 -1.32 -0.07 3.49 1.74 -1.26 -4.93 116.66 116.04 1wfo n ARG 22 Ca 0.25 1.25 -0.10 0.00 -0.77 0.00 0.00 57.85 58.48 1wfo n ARG 22 Cb 0.47 -1.95 -0.08 0.00 -1.02 0.00 0.00 32.46 29.88 1wfo n ARG 22 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1wfo h THR 23 N 2.79 1.01 -3.08 0.55 2.02 -2.00 -3.46 112.91 110.73 1wfo h THR 23 Ca -0.27 -1.82 -0.62 0.00 0.77 0.00 0.00 66.41 64.47 1wfo h THR 23 Cb 1.14 1.97 -0.09 0.00 -1.74 0.00 0.00 68.15 69.43 1wfo h THR 23 CO 0.12 0.34 -0.60 -0.22 0.37 0.00 0.00 175.52 175.54 1wfo s LEU 24 N -8.27 3.77 -0.07 2.58 1.98 -1.26 -5.11 118.68 112.29 1wfo s LEU 24 Ca -0.14 -0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 1wfo s LEU 24 Cb -0.00 -2.44 -0.03 0.00 0.66 0.00 0.00 46.19 44.38 1wfo s LEU 24 CO 0.44 0.15 -0.06 -1.81 -1.89 0.00 0.00 176.35 173.18 1wfo s ASP 25 N -2.56 4.74 -0.03 3.68 1.01 -1.26 -5.07 116.67 117.17 1wfo s ASP 25 Ca 0.29 -0.00 -0.29 0.00 0.71 0.00 0.00 52.55 53.26 1wfo s ASP 25 Cb -0.12 -1.24 0.08 0.00 1.01 0.00 0.00 42.92 42.66 1wfo s ASP 25 CO 0.22 0.36 0.74 1.51 0.21 0.00 0.00 175.17 178.21 1wfo s ASP 26 N -0.77 -0.56 0.96 0.27 -4.77 -1.25 -5.12 116.67 105.43 1wfo s ASP 26 Ca 0.12 0.46 -0.16 0.00 -3.30 0.00 0.00 52.55 49.67 1wfo s ASP 26 Cb -0.11 0.49 -0.10 0.00 -1.09 0.00 0.00 42.92 42.11 1wfo s ASP 26 CO 0.02 -0.63 -0.45 1.33 0.70 0.00 0.00 175.17 176.14 1wfo n VAL 27 N 0.53 0.04 -1.56 2.11 0.24 -1.26 -4.62 118.33 113.82 1wfo n VAL 27 Ca -0.16 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.42 1wfo n VAL 27 Cb 0.59 -0.17 0.08 0.00 -1.47 0.00 0.00 33.84 32.87 1wfo n VAL 27 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfo s PRO 28 N -2.40 2.23 0.36 7.34 0.04 -1.24 -4.87 135.00 136.46 1wfo s PRO 28 Ca 0.45 0.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 1wfo s PRO 28 Cb -0.20 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1wfo s PRO 28 CO 0.78 -1.53 0.46 0.41 0.04 0.00 0.00 177.00 177.15 1wfo n GLY 29 N -2.08 -1.44 3.76 0.56 0.00 -1.21 -2.35 105.19 102.42 1wfo n GLY 29 Ca 0.07 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1wfo n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 30 N -4.00 4.67 -0.39 1.61 0.04 -1.26 -4.25 135.00 131.41 1wfo s PRO 30 Ca 0.26 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1wfo s PRO 30 Cb -0.01 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1wfo s PRO 30 CO 0.19 0.25 1.40 -1.25 0.04 0.00 0.00 177.00 177.63 1wfo s PRO 31 N -1.41 3.62 0.41 0.56 0.04 -1.26 -4.70 135.00 132.26 1wfo s PRO 31 Ca 0.44 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 1wfo s PRO 31 Cb -0.31 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 1wfo s PRO 31 CO 0.40 -1.50 0.64 0.00 0.04 0.00 0.00 177.00 176.57 1wfo s MET 32 N 4.83 3.32 0.00 4.56 0.23 -1.25 -4.52 119.30 126.47 1wfo s MET 32 Ca 0.61 -0.31 0.00 0.00 -1.03 0.00 0.00 55.69 54.96 1wfo s MET 32 Cb -0.14 -2.57 0.00 0.00 -1.53 0.00 0.00 34.83 30.58 1wfo s MET 32 CO 0.31 -0.08 0.00 0.41 -2.03 0.00 0.00 175.02 173.63 1wfo n GLY 33 N -1.98 0.47 3.61 3.16 0.00 -1.26 -2.70 105.19 106.49 1wfo n GLY 33 Ca -0.02 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1wfo n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 34 N -2.33 5.14 0.02 -0.61 -1.09 -1.26 -3.94 121.20 117.13 1wfo s ILE 34 Ca 0.00 0.68 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1wfo s ILE 34 Cb 0.00 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1wfo s ILE 34 CO 0.00 0.13 0.06 -0.76 -1.23 0.00 0.00 174.94 173.15 1wfo s LEU 35 N 2.13 1.90 -0.57 2.97 1.43 -0.81 -5.02 118.68 120.72 1wfo s LEU 35 Ca 0.17 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1wfo s LEU 35 Cb -0.16 0.43 0.15 0.00 0.03 0.00 0.00 46.19 46.64 1wfo s LEU 35 CO 0.10 -0.39 0.36 -0.36 0.23 0.00 0.00 176.35 176.28 1wfo s PHE 36 N -1.85 3.37 -0.07 0.29 0.08 -1.26 -1.15 117.98 117.39 1wfo s PHE 36 Ca -0.12 -2.84 -0.27 0.00 0.12 0.00 0.00 56.93 53.83 1wfo s PHE 36 Cb -0.06 -3.09 -0.23 0.00 -0.57 0.00 0.00 43.02 39.07 1wfo s PHE 36 CO -0.01 -0.83 1.02 -1.00 -0.10 0.00 0.00 175.22 174.30 1wfo h PRO 37 N 6.98 0.04 -4.96 0.24 0.13 -1.94 -3.43 132.00 129.06 1wfo h PRO 37 Ca -0.04 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 1wfo h PRO 37 Cb 0.94 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.78 1wfo h PRO 37 CO 0.70 0.78 -0.74 -2.00 -0.23 0.00 0.00 178.00 176.51 1wfo s GLU 38 N -3.22 3.11 -0.06 0.86 2.12 -1.08 -5.05 118.70 115.38 1wfo s GLU 38 Ca -0.17 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.34 1wfo s GLU 38 Cb -0.00 -2.97 0.04 0.00 0.26 0.00 0.00 34.13 31.45 1wfo s GLU 38 CO 0.70 -0.29 0.08 0.08 -0.54 0.00 0.00 175.26 175.29 1wfo s VAL 39 N 1.40 -0.14 0.00 3.70 1.01 -1.26 0.19 120.40 125.30 1wfo s VAL 39 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1wfo s VAL 39 Cb -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1wfo s VAL 39 CO -0.04 0.15 0.00 0.54 0.00 0.00 0.00 175.10 175.75 1wfo n ARG 40 N 5.30 2.17 0.00 2.72 5.12 0.39 -4.70 116.66 127.66 1wfo n ARG 40 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfo n THR 41 N -0.39 0.00 -0.13 0.55 -2.24 -1.26 -3.08 114.28 107.74 1wfo n THR 41 Ca 0.00 0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 62.00 1wfo n THR 41 Cb 0.00 -0.87 0.10 0.00 -2.10 0.00 0.00 70.33 67.46 1wfo n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfo n THR 42 N -1.26 2.07 -3.61 4.28 -2.24 -1.26 -3.88 114.28 108.39 1wfo n THR 42 Ca 0.00 -0.96 -0.04 0.00 -2.27 0.00 0.00 64.05 60.78 1wfo n THR 42 Cb 0.00 -0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 67.49 1wfo n THR 42 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfo s SER 43 N -0.19 -0.14 0.32 3.42 0.15 -1.26 -0.50 113.70 115.50 1wfo s SER 43 Ca 0.29 0.10 -0.09 0.00 0.70 0.00 0.00 55.95 56.94 1wfo s SER 43 Cb 0.24 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1wfo s SER 43 CO 0.06 -0.16 0.55 0.68 1.20 0.00 0.00 173.24 175.56 1wfo s VAL 44 N -1.56 0.00 -0.28 4.45 -7.23 -0.40 0.15 120.40 115.53 1wfo s VAL 44 Ca 0.07 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1wfo s VAL 44 Cb -0.01 -2.52 0.17 0.00 0.56 0.00 0.00 36.38 34.59 1wfo s VAL 44 CO -0.05 0.00 0.49 -0.60 -0.31 0.00 0.00 175.10 174.63 1wfo s ARG 45 N -3.27 0.47 0.42 4.82 3.52 0.51 0.21 118.95 125.64 1wfo s ARG 45 Ca 0.24 0.50 0.08 0.00 -0.13 0.00 0.00 55.73 56.42 1wfo s ARG 45 Cb -0.02 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 1wfo s ARG 45 CO 0.14 -0.88 0.44 -0.48 -0.81 0.00 0.00 175.30 173.72 1wfo s LEU 46 N 2.69 3.44 0.03 -0.88 2.34 -1.08 -2.63 118.68 122.59 1wfo s LEU 46 Ca 0.13 -0.67 0.01 0.00 0.06 0.00 0.00 54.13 53.66 1wfo s LEU 46 Cb -0.13 -2.19 -0.02 0.00 -0.56 0.00 0.00 46.19 43.29 1wfo s LEU 46 CO -0.24 -0.71 -0.05 0.27 -1.06 0.00 0.00 176.35 174.55 1wfo s ILE 47 N -2.45 0.30 0.21 1.48 -0.00 -0.30 -2.18 121.20 118.26 1wfo s ILE 47 Ca 0.50 -1.02 0.05 0.00 -0.00 0.00 0.00 60.65 60.18 1wfo s ILE 47 Cb -0.05 -0.46 -0.02 0.00 -0.00 0.00 0.00 42.46 41.94 1wfo s ILE 47 CO 0.29 -0.47 0.18 -2.67 -0.00 0.00 0.00 174.94 172.28 1wfo n TRP 48 N 1.49 -0.51 -4.14 1.37 2.14 0.33 -1.93 117.44 116.19 1wfo n TRP 48 Ca -0.23 -1.75 -0.09 0.00 2.07 0.00 0.00 57.50 57.50 1wfo n TRP 48 Cb 0.55 0.19 -0.10 0.00 -0.81 0.00 0.00 31.31 31.14 1wfo n TRP 48 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfo s GLN 49 N -2.84 0.78 0.52 -2.67 -0.21 -1.10 -4.65 119.66 109.49 1wfo s GLN 49 Ca 0.25 -1.33 -0.19 0.00 0.02 0.00 0.00 55.36 54.11 1wfo s GLN 49 Cb 0.01 0.07 -0.07 0.00 1.00 0.00 0.00 33.01 34.02 1wfo s GLN 49 CO 0.18 -0.12 1.04 -1.25 -2.12 0.00 0.00 175.29 173.01 1wfo s PRO 50 N -3.93 3.67 -0.07 2.91 0.04 -1.26 -3.95 135.00 132.41 1wfo s PRO 50 Ca 0.14 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1wfo s PRO 50 Cb 0.07 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO -0.05 -0.53 1.23 -1.25 0.04 0.00 0.00 177.00 176.44 1wfo s PRO 51 N -3.51 4.32 0.57 0.56 0.04 -1.26 -4.74 135.00 130.97 1wfo s PRO 51 Ca 0.66 1.69 0.35 0.00 0.04 0.00 0.00 61.00 63.74 1wfo s PRO 51 Cb -0.16 -3.60 1.45 0.00 0.04 0.00 0.00 34.50 32.23 1wfo s PRO 51 CO 0.25 -0.51 1.71 0.00 0.04 0.00 0.00 177.00 178.49 1wfo h ALA 52 N 7.65 2.96 -3.16 8.56 0.00 -1.94 -2.69 119.26 130.64 1wfo h ALA 52 Ca -0.33 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 53.89 1wfo h ALA 52 Cb 1.15 0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 1wfo h ALA 52 CO 0.90 -1.45 -0.46 0.00 0.00 0.00 0.00 179.25 178.25 1wfo s ALA 53 N -4.77 3.68 0.15 0.00 0.00 -1.26 -4.90 121.76 114.67 1wfo s ALA 53 Ca -0.04 -3.53 -0.02 0.00 0.00 0.00 0.00 51.96 48.36 1wfo s ALA 53 Cb 0.20 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1wfo s ALA 53 CO 0.70 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.74 1wfo h PRO 54 N 6.23 0.36 -7.12 0.00 0.13 -1.88 -3.21 132.00 126.50 1wfo h PRO 54 Ca 0.04 -0.35 -0.62 0.00 -0.87 0.00 0.00 66.00 64.20 1wfo h PRO 54 Cb 0.85 0.09 -0.30 0.00 0.13 0.00 0.00 31.00 31.78 1wfo h PRO 54 CO 0.73 1.02 -0.93 0.09 -0.23 0.00 0.00 178.00 178.68 1wfo n ASN 55 N -3.76 -0.67 0.00 1.44 3.02 -1.26 -3.69 115.26 110.33 1wfo n ASN 55 Ca -0.05 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1wfo n ASN 55 Cb 0.78 -1.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1wfo n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfo n GLY 56 N -1.74 3.83 3.61 7.41 0.00 -1.26 -3.90 105.19 113.13 1wfo n GLY 56 Ca -0.08 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1wfo n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 57 N -0.50 3.19 0.31 -0.61 1.09 -1.26 -4.90 121.20 118.52 1wfo s ILE 57 Ca 0.00 0.20 -0.30 0.00 -1.10 0.00 0.00 60.65 59.46 1wfo s ILE 57 Cb 0.00 -3.23 -0.12 0.00 -1.06 0.00 0.00 42.46 38.05 1wfo s ILE 57 CO 0.00 -0.12 1.48 -0.38 -0.10 0.00 0.00 174.94 175.82 1wfo n ILE 58 N 7.23 1.37 -0.02 2.92 2.08 -1.26 -4.49 119.36 127.18 1wfo n ILE 58 Ca 0.26 -0.34 0.01 0.00 0.56 0.00 0.00 62.75 63.24 1wfo n ILE 58 Cb 0.45 -1.79 -0.08 0.00 -0.75 0.00 0.00 39.64 37.47 1wfo n ILE 58 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wfo n LEU 59 N 1.59 0.00 0.00 1.39 4.77 0.53 -4.80 117.00 120.48 1wfo n LEU 59 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1wfo n LEU 59 Cb 0.36 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1wfo n LEU 59 CO 0.63 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.79 1wfo n ALA 60 N -2.05 0.00 -2.34 -1.18 0.00 -1.11 -3.38 120.51 110.45 1wfo n ALA 60 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1wfo n ALA 60 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 1wfo n ALA 60 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wfo s TYR 61 N -2.99 0.97 -0.04 0.00 1.51 0.34 0.11 117.35 117.25 1wfo s TYR 61 Ca 0.00 -1.24 0.02 0.00 -1.01 0.00 0.00 57.07 54.84 1wfo s TYR 61 Cb 0.00 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1wfo s TYR 61 CO 0.00 -0.67 -0.09 -1.14 -1.11 0.00 0.00 175.55 172.54 1wfo s GLN 62 N -4.11 1.13 -0.28 -0.62 0.74 0.25 0.15 119.66 116.92 1wfo s GLN 62 Ca 0.33 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.48 1wfo s GLN 62 Cb 0.06 -1.02 0.08 0.00 1.10 0.00 0.00 33.01 33.23 1wfo s GLN 62 CO 0.09 0.04 -0.01 0.42 -0.55 0.00 0.00 175.29 175.28 1wfo s ILE 63 N 0.52 1.77 -0.27 -2.34 1.01 0.46 -0.07 121.20 122.28 1wfo s ILE 63 Ca -0.09 -1.65 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 1wfo s ILE 63 Cb -0.12 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1wfo s ILE 63 CO 0.01 -0.31 0.21 0.42 0.00 0.00 0.00 174.94 175.27 1wfo s THR 64 N 1.23 5.30 -0.04 2.92 -4.23 -0.06 -1.32 115.64 119.43 1wfo s THR 64 Ca 0.01 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 1wfo s THR 64 Cb -0.19 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1wfo s THR 64 CO -0.09 0.26 -0.19 -1.38 -0.54 0.00 0.00 174.62 172.68 1wfo s HIS 65 N 1.64 2.56 0.02 3.99 -3.43 -1.25 -0.55 115.29 118.27 1wfo s HIS 65 Ca 0.08 -0.32 -0.28 0.00 -0.80 0.00 0.00 55.06 53.74 1wfo s HIS 65 Cb -0.15 -1.59 0.07 0.00 -1.43 0.00 0.00 32.58 29.48 1wfo s HIS 65 CO 0.09 0.06 0.66 -0.98 -2.00 0.00 0.00 174.74 172.58 1wfo s ARG 66 N -0.60 1.12 -0.47 -0.38 1.70 -1.06 -3.65 118.95 115.61 1wfo s ARG 66 Ca 0.09 0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 55.07 1wfo s ARG 66 Cb -0.11 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1wfo s ARG 66 CO 0.00 -0.40 1.26 -0.51 -1.08 0.00 0.00 175.30 174.57 1wfo s LEU 67 N -1.72 3.59 0.44 -1.89 1.43 -1.26 -0.22 118.68 119.05 1wfo s LEU 67 Ca -0.07 0.57 0.32 0.00 -1.03 0.00 0.00 54.13 53.92 1wfo s LEU 67 Cb -0.00 -3.50 1.48 0.00 0.03 0.00 0.00 46.19 44.20 1wfo s LEU 67 CO 0.02 -1.37 1.55 -3.20 0.23 0.00 0.00 176.35 173.59 1wfo n ASN 68 N 8.36 0.21 -3.68 2.29 2.85 -0.27 -3.52 115.26 121.50 1wfo n ASN 68 Ca 0.14 1.39 -0.27 0.00 -0.11 0.00 0.00 54.58 55.73 1wfo n ASN 68 Cb 0.49 -0.68 -0.17 0.00 1.24 0.00 0.00 39.78 40.66 1wfo n ASN 68 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wfo s THR 69 N -5.25 0.25 0.00 -0.44 -4.23 -1.26 -5.09 115.64 99.62 1wfo s THR 69 Ca -0.07 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1wfo s THR 69 Cb 0.31 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1wfo s THR 69 CO 0.81 -0.21 0.00 1.07 -0.54 0.00 0.00 174.62 175.76 1wfo n THR 70 N 5.16 0.00 -3.30 3.99 5.66 -1.23 -4.92 114.28 119.64 1wfo n THR 70 Ca -0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.83 1wfo n THR 70 Cb 0.48 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.21 1wfo n THR 70 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wfo s THR 71 N -2.21 -0.64 0.11 1.09 -4.23 -1.26 -5.09 115.64 103.42 1wfo s THR 71 Ca 0.00 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 1wfo s THR 71 Cb 0.00 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 1wfo s THR 71 CO 0.00 -0.29 0.07 0.00 -0.54 0.00 0.00 174.62 173.85 1wfo n ALA 72 N 5.11 0.20 -0.03 3.99 0.00 -1.26 -5.06 120.51 123.46 1wfo n ALA 72 Ca 0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 1wfo n ALA 72 Cb 0.50 0.46 -0.09 0.00 0.00 0.00 0.00 19.45 20.32 1wfo n ALA 72 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1wfo h ASN 73 N 0.56 0.16 -6.00 0.00 -1.07 -2.06 -3.49 115.58 103.69 1wfo h ASN 73 Ca -0.08 -0.47 0.41 0.00 0.07 0.00 0.00 56.30 56.23 1wfo h ASN 73 Cb 0.37 -0.05 -0.09 0.00 -2.07 0.00 0.00 38.32 36.48 1wfo h ASN 73 CO 0.13 0.60 1.02 0.28 0.07 0.00 0.00 177.43 179.53 1wfo s THR 74 N -4.34 0.00 -0.03 6.14 -1.32 -1.26 -5.14 115.64 109.69 1wfo s THR 74 Ca -0.15 -0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.11 1wfo s THR 74 Cb 0.03 -2.76 -0.05 0.00 -1.51 0.00 0.00 72.50 68.22 1wfo s THR 74 CO 0.71 0.00 0.64 0.00 -2.21 0.00 0.00 174.62 173.76 1wfo s ALA 75 N -2.00 3.41 -0.62 11.08 0.00 -1.26 -5.02 121.76 127.35 1wfo s ALA 75 Ca 0.29 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 1wfo s ALA 75 Cb 0.02 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.38 1wfo s ALA 75 CO -0.04 0.04 0.82 0.99 0.00 0.00 0.00 175.76 177.56 1wfo s THR 76 N 0.28 4.62 0.28 0.00 2.01 -1.24 -4.93 115.64 116.65 1wfo s THR 76 Ca 0.34 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 1wfo s THR 76 Cb -0.18 -4.57 -0.09 0.00 0.01 0.00 0.00 72.50 67.67 1wfo s THR 76 CO 0.18 -1.27 0.77 0.68 -0.69 0.00 0.00 174.62 174.28 1wfo s VAL 77 N 3.25 4.55 -0.04 3.82 -7.23 -1.26 -4.10 120.40 119.39 1wfo s VAL 77 Ca 0.16 1.25 0.05 0.00 -1.81 0.00 0.00 61.98 61.63 1wfo s VAL 77 Cb -0.21 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 32.94 1wfo s VAL 77 CO 0.08 0.04 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.01 1wfo s GLU 78 N -2.38 1.95 -0.09 4.82 2.12 -0.43 -4.95 118.70 119.73 1wfo s GLU 78 Ca 0.49 -0.70 -0.20 0.00 0.36 0.00 0.00 54.97 54.91 1wfo s GLU 78 Cb -0.14 -1.71 -0.04 0.00 0.26 0.00 0.00 34.13 32.49 1wfo s GLU 78 CO 0.20 0.31 0.55 0.08 -0.54 0.00 0.00 175.26 175.86 1wfo s VAL 79 N -0.10 5.12 0.44 3.70 1.01 -1.26 -0.40 120.40 128.90 1wfo s VAL 79 Ca -0.02 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.15 1wfo s VAL 79 Cb -0.11 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1wfo s VAL 79 CO 0.02 0.32 0.31 -0.76 0.00 0.00 0.00 175.10 174.99 1wfo s LEU 80 N 0.58 3.19 0.84 3.92 1.43 0.40 -4.92 118.68 124.11 1wfo s LEU 80 Ca 0.30 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 1wfo s LEU 80 Cb -0.16 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.45 1wfo s LEU 80 CO 0.13 -0.69 1.14 0.00 0.23 0.00 0.00 176.35 177.17 1wfo s ALA 81 N -2.56 2.25 -1.27 4.21 0.00 -1.26 -0.51 121.76 122.61 1wfo s ALA 81 Ca 0.43 -0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.12 1wfo s ALA 81 Cb -0.01 -3.02 1.07 0.00 0.00 0.00 0.00 23.12 21.17 1wfo s ALA 81 CO 0.25 -1.89 1.73 -0.35 0.00 0.00 0.00 175.76 175.50 1wfo n PRO 82 N -3.49 0.20 -1.24 0.00 -0.04 -1.22 -2.67 135.00 126.55 1wfo n PRO 82 Ca 0.07 0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1wfo n PRO 82 Cb 0.59 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.68 1wfo n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfo n SER 83 N -1.36 3.67 -4.55 3.54 3.41 -1.26 -4.83 113.62 112.23 1wfo n SER 83 Ca 0.09 -3.81 -0.38 0.00 -0.26 0.00 0.00 58.87 54.52 1wfo n SER 83 Cb 0.21 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 63.49 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfo s ALA 84 N -3.43 3.43 -0.51 7.33 0.00 -1.09 -4.92 121.76 122.56 1wfo s ALA 84 Ca 0.48 -1.10 0.17 0.00 0.00 0.00 0.00 51.96 51.50 1wfo s ALA 84 Cb 0.41 -2.36 -0.21 0.00 0.00 0.00 0.00 23.12 20.96 1wfo s ALA 84 CO -0.00 -0.52 0.58 -2.13 0.00 0.00 0.00 175.76 173.69 1wfo n ARG 85 N 5.00 1.18 -3.79 0.00 0.00 -1.26 -4.95 116.66 112.85 1wfo n ARG 85 Ca -0.15 -0.06 -0.09 0.00 -0.00 0.00 0.00 57.85 57.55 1wfo n ARG 85 Cb 0.52 -1.32 -0.04 0.00 0.00 0.00 0.00 32.46 31.61 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wfo s GLN 86 N -2.78 1.36 0.02 -0.14 -2.07 -1.26 -0.51 119.66 114.28 1wfo s GLN 86 Ca 0.02 -0.94 -0.06 0.00 -1.82 0.00 0.00 55.36 52.56 1wfo s GLN 86 Cb 0.12 0.50 -0.01 0.00 -1.09 0.00 0.00 33.01 32.53 1wfo s GLN 86 CO 0.69 -0.56 0.10 -0.47 -1.32 0.00 0.00 175.29 173.72 1wfo s TYR 87 N -3.90 0.15 -0.13 9.60 5.04 -0.93 -5.01 117.35 122.17 1wfo s TYR 87 Ca 0.11 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1wfo s TYR 87 Cb -0.00 -0.11 -0.01 0.00 0.35 0.00 0.00 41.96 42.18 1wfo s TYR 87 CO -0.02 -0.33 -0.14 0.99 -1.34 0.00 0.00 175.55 174.71 1wfo s THR 88 N -2.11 2.88 -0.10 4.34 2.01 -1.26 -2.63 115.64 118.77 1wfo s THR 88 Ca -0.09 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1wfo s THR 88 Cb -0.04 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1wfo s THR 88 CO -0.02 0.52 0.06 0.00 -0.69 0.00 0.00 174.62 174.49 1wfo s ALA 89 N 0.45 3.51 -0.07 7.40 0.00 0.13 -4.97 121.76 128.22 1wfo s ALA 89 Ca -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1wfo s ALA 89 Cb -0.16 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1wfo s ALA 89 CO 0.05 0.60 0.16 0.95 0.00 0.00 0.00 175.76 177.53 1wfo s THR 90 N -0.95 -0.02 0.00 0.00 -4.23 -1.26 -1.27 115.64 107.92 1wfo s THR 90 Ca 0.14 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1wfo s THR 90 Cb -0.12 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1wfo s THR 90 CO 0.03 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1wfo n GLY 91 N 3.46 0.52 3.67 3.99 0.00 0.34 -4.98 105.19 112.20 1wfo n GLY 91 Ca -0.18 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1wfo n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfo s LEU 92 N -0.68 3.06 -0.16 0.99 1.43 -0.95 -5.00 118.68 117.37 1wfo s LEU 92 Ca 0.00 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 1wfo s LEU 92 Cb 0.00 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1wfo s LEU 92 CO 0.00 -0.32 0.45 -0.75 0.23 0.00 0.00 176.35 175.96 1wfo s LYS 93 N -3.78 4.26 0.63 1.70 2.20 -1.26 -4.03 119.74 119.46 1wfo s LYS 93 Ca 0.37 0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 56.18 1wfo s LYS 93 Cb 0.01 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1wfo s LYS 93 CO 0.21 0.05 1.05 -1.25 -0.36 0.00 0.00 175.35 175.05 1wfo s PRO 94 N 1.00 3.21 -0.82 4.03 0.04 -1.25 -4.18 135.00 137.03 1wfo s PRO 94 Ca 0.23 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 1wfo s PRO 94 Cb -0.15 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1wfo s PRO 94 CO 0.09 -0.88 0.71 0.39 0.04 0.00 0.00 177.00 177.34 1wfo n GLU 95 N -2.43 -2.71 -2.62 4.56 -0.58 0.26 -4.99 120.64 112.13 1wfo n GLU 95 Ca 0.08 0.64 -0.03 0.00 -0.42 0.00 0.00 57.16 57.43 1wfo n GLU 95 Cb 0.53 -4.83 0.01 0.00 -0.57 0.00 0.00 31.44 26.59 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfo n SER 96 N -2.73 -1.09 -4.22 1.62 7.64 -1.23 -4.96 113.62 108.64 1wfo n SER 96 Ca -0.10 -1.67 -0.28 0.00 1.01 0.00 0.00 58.87 57.82 1wfo n SER 96 Cb 0.60 1.80 -0.16 0.00 -1.01 0.00 0.00 64.21 65.44 1wfo n SER 96 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wfo s VAL 97 N -2.40 1.71 -0.05 0.44 1.01 -1.26 -0.28 120.40 119.56 1wfo s VAL 97 Ca 0.11 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1wfo s VAL 97 Cb -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1wfo s VAL 97 CO 0.05 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.16 1wfo s TYR 98 N -0.39 1.67 -0.26 5.22 1.51 -0.00 -1.12 117.35 123.99 1wfo s TYR 98 Ca 0.05 -0.53 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 1wfo s TYR 98 Cb -0.09 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1wfo s TYR 98 CO 0.00 -0.21 0.38 -1.17 -1.11 0.00 0.00 175.55 173.44 1wfo s LEU 99 N 0.21 4.06 -0.32 -1.29 1.98 0.70 -0.17 118.68 123.84 1wfo s LEU 99 Ca -0.07 0.33 -0.08 0.00 -2.89 0.00 0.00 54.13 51.42 1wfo s LEU 99 Cb -0.13 -2.44 0.02 0.00 0.66 0.00 0.00 46.19 44.30 1wfo s LEU 99 CO 0.03 -0.16 0.12 -0.36 -1.89 0.00 0.00 176.35 174.09 1wfo s PHE 100 N 1.91 3.20 -0.33 5.38 0.40 0.42 -2.58 117.98 126.38 1wfo s PHE 100 Ca 0.16 -1.04 -0.10 0.00 -0.60 0.00 0.00 56.93 55.34 1wfo s PHE 100 Cb -0.15 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 1wfo s PHE 100 CO 0.09 -0.62 0.17 0.50 0.70 0.00 0.00 175.22 176.07 1wfo s ARG 101 N 1.50 3.27 -0.08 0.44 3.52 0.29 0.35 118.95 128.24 1wfo s ARG 101 Ca 0.02 -0.77 -0.10 0.00 -0.13 0.00 0.00 55.73 54.75 1wfo s ARG 101 Cb -0.18 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 1wfo s ARG 101 CO 0.04 -0.47 0.23 0.42 -0.81 0.00 0.00 175.30 174.71 1wfo s ILE 102 N 1.62 5.35 0.10 4.11 1.01 0.11 -0.89 121.20 132.61 1wfo s ILE 102 Ca 0.04 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 1wfo s ILE 102 Cb -0.17 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1wfo s ILE 102 CO 0.07 0.60 0.22 -0.89 0.00 0.00 0.00 174.94 174.94 1wfo s THR 103 N -1.01 0.13 0.27 2.92 2.01 0.89 -0.02 115.64 120.83 1wfo s THR 103 Ca 0.18 -1.11 0.09 0.00 0.31 0.00 0.00 61.69 61.16 1wfo s THR 103 Cb -0.14 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1wfo s THR 103 CO 0.07 -0.59 0.02 0.00 -0.69 0.00 0.00 174.62 173.43 1wfo s ALA 104 N -3.86 3.22 -0.15 7.40 0.00 -1.26 0.88 121.76 127.99 1wfo s ALA 104 Ca 0.05 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1wfo s ALA 104 Cb 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1wfo s ALA 104 CO -0.11 0.25 -0.15 -1.14 0.00 0.00 0.00 175.76 174.62 1wfo s GLN 105 N -3.70 2.34 0.00 0.00 0.74 0.31 -3.73 119.66 115.62 1wfo s GLN 105 Ca 0.32 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.15 1wfo s GLN 105 Cb -0.06 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 31.93 1wfo s GLN 105 CO 0.21 -0.22 0.00 0.25 -0.55 0.00 0.00 175.29 174.97 1wfo n THR 106 N 4.72 0.00 1.82 -0.34 -2.24 -0.84 0.20 114.28 117.60 1wfo n THR 106 Ca -0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1wfo n THR 106 Cb 0.50 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.37 1wfo n THR 106 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfo n ARG 107 N 0.00 0.91 -0.12 -0.78 1.85 -1.26 -3.22 116.66 114.04 1wfo n ARG 107 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1wfo n ARG 107 Cb 0.00 -1.37 -0.09 0.00 -1.05 0.00 0.00 32.46 29.95 1wfo n ARG 107 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wfo n LYS 108 N -0.87 0.52 0.00 2.89 4.01 -1.26 -5.11 118.16 118.34 1wfo n LYS 108 Ca 0.16 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 58.15 1wfo n LYS 108 Cb 0.07 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfo n GLY 109 N 1.86 -0.50 2.86 0.72 0.00 -1.20 -4.99 105.19 103.95 1wfo n GLY 109 Ca -0.44 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1wfo n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wfo s TRP 110 N 0.00 1.94 0.00 1.61 0.52 -1.26 -1.98 118.94 119.77 1wfo s TRP 110 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 56.10 54.64 1wfo s TRP 110 Cb 0.00 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 1wfo s TRP 110 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 176.95 176.65 1wfo n GLY 111 N 4.80 -1.73 3.21 0.98 0.00 -1.24 -4.98 105.19 106.22 1wfo n GLY 111 Ca -0.10 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 1wfo n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wfo n GLU 112 N -0.50 -0.53 -4.17 1.61 4.07 -0.99 -4.74 120.64 115.39 1wfo n GLU 112 Ca 0.00 -0.14 -0.17 0.00 -0.06 0.00 0.00 57.16 56.80 1wfo n GLU 112 Cb 0.00 -1.46 -0.15 0.00 -0.06 0.00 0.00 31.44 29.77 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wfo s ALA 113 N -2.19 0.50 -0.25 4.31 0.00 -1.26 -4.41 121.76 118.45 1wfo s ALA 113 Ca 0.49 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 1wfo s ALA 113 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1wfo s ALA 113 CO 0.70 0.09 0.45 0.00 0.00 0.00 0.00 175.76 177.00 1wfo s ALA 114 N 0.10 3.58 -0.23 0.00 0.00 0.97 -4.84 121.76 121.34 1wfo s ALA 114 Ca -0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.16 1wfo s ALA 114 Cb -0.05 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1wfo s ALA 114 CO -0.00 -0.65 0.29 -1.21 0.00 0.00 0.00 175.76 174.19 1wfo s GLU 115 N 2.08 4.10 -0.06 0.00 2.02 -1.26 0.05 118.70 125.64 1wfo s GLU 115 Ca 0.19 -0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.14 1wfo s GLU 115 Cb -0.16 -3.56 0.03 0.00 0.10 0.00 0.00 34.13 30.54 1wfo s GLU 115 CO 0.09 -0.03 -0.00 0.00 0.02 0.00 0.00 175.26 175.34 1wfo s ALA 116 N 1.31 0.59 0.30 5.21 0.00 0.15 -4.94 121.76 124.39 1wfo s ALA 116 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1wfo s ALA 116 Cb -0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1wfo s ALA 116 CO 0.07 -0.31 0.58 -0.51 0.00 0.00 0.00 175.76 175.59 1wfo s LEU 117 N 1.62 4.04 -0.24 0.00 1.43 -1.26 0.16 118.68 124.42 1wfo s LEU 117 Ca -0.01 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1wfo s LEU 117 Cb -0.13 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.58 1wfo s LEU 117 CO -0.03 -0.21 0.56 0.54 0.23 0.00 0.00 176.35 177.44 1wfo s VAL 118 N -2.10 -0.38 0.35 -1.59 0.11 0.76 -4.92 120.40 112.63 1wfo s VAL 118 Ca 0.45 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.35 1wfo s VAL 118 Cb -0.11 -0.85 -0.10 0.00 -1.53 0.00 0.00 36.38 33.80 1wfo s VAL 118 CO 0.29 0.02 0.87 -0.69 -3.33 0.00 0.00 175.10 172.27 1wfo s VAL 119 N 2.09 4.43 -0.37 2.04 1.01 -1.26 -0.82 120.40 127.52 1wfo s VAL 119 Ca -0.07 1.44 -0.13 0.00 0.00 0.00 0.00 61.98 63.22 1wfo s VAL 119 Cb -0.09 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1wfo s VAL 119 CO -0.17 -0.09 0.24 0.42 0.00 0.00 0.00 175.10 175.50 1wfo s THR 120 N -1.90 5.04 -0.07 3.92 -4.23 0.62 -4.88 115.64 114.15 1wfo s THR 120 Ca 0.55 -0.52 -0.32 0.00 -1.18 0.00 0.00 61.69 60.22 1wfo s THR 120 Cb -0.13 -3.70 0.13 0.00 1.34 0.00 0.00 72.50 70.14 1wfo s THR 120 CO 0.18 -0.14 1.28 0.28 -0.54 0.00 0.00 174.62 175.68 1wfo s THR 121 N 1.66 0.00 -0.14 3.99 -1.32 -1.18 0.92 115.64 119.58 1wfo s THR 121 Ca 0.05 -0.15 -0.14 0.00 -1.21 0.00 0.00 61.69 60.23 1wfo s THR 121 Cb -0.18 -1.71 -0.25 0.00 -1.51 0.00 0.00 72.50 68.85 1wfo s THR 121 CO 0.09 0.00 0.41 -0.33 -2.21 0.00 0.00 174.62 172.58 1wfo h GLU 122 N 2.00 0.19 -7.03 7.08 5.08 -1.87 -3.40 114.58 116.62 1wfo h GLU 122 Ca -0.24 -0.32 -0.56 0.00 -1.00 0.00 0.00 59.36 57.23 1wfo h GLU 122 Cb 1.19 0.12 0.16 0.00 0.50 0.00 0.00 28.75 30.72 1wfo h GLU 122 CO 0.27 1.15 0.40 1.63 -1.00 0.00 0.00 179.01 181.46 1wfo n LYS 123 N -3.92 1.05 -4.30 2.33 5.02 -1.26 -4.99 118.16 112.09 1wfo n LYS 123 Ca -0.29 0.41 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 1wfo n LYS 123 Cb 0.89 -2.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.37 1wfo n LYS 123 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1wfo s ARG 124 N -3.20 3.22 -0.07 1.97 3.00 -1.26 -5.10 118.95 117.51 1wfo s ARG 124 Ca 0.81 -0.39 -0.28 0.00 -1.00 0.00 0.00 55.73 54.87 1wfo s ARG 124 Cb -0.39 -2.89 0.06 0.00 0.00 0.00 0.00 34.95 31.73 1wfo s ARG 124 CO 0.42 0.60 0.62 0.45 0.00 0.00 0.00 175.30 177.40 1wfo s SER 125 N -0.60 -0.59 -0.42 -2.12 0.15 -1.26 -5.11 113.70 103.75 1wfo s SER 125 Ca 0.10 0.70 0.07 0.00 0.70 0.00 0.00 55.95 57.52 1wfo s SER 125 Cb -0.12 0.60 0.23 0.00 -1.71 0.00 0.00 66.02 65.02 1wfo s SER 125 CO 0.02 -0.54 0.58 0.61 1.20 0.00 0.00 173.24 175.11 1wfo n GLY 126 N 1.18 1.88 2.94 9.45 0.00 -1.26 -5.04 105.19 114.34 1wfo n GLY 126 Ca -0.19 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1wfo n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfo n PRO 127 N 1.84 2.14 -4.08 1.61 -0.04 -1.26 -4.90 135.00 130.32 1wfo n PRO 127 Ca 0.20 -2.21 -0.22 0.00 -0.04 0.00 0.00 63.50 61.22 1wfo n PRO 127 Cb 0.54 -3.10 -0.04 0.00 -0.04 0.00 0.00 33.50 30.86 1wfo n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfo s SER 128 N 4.17 5.71 -0.06 3.54 0.15 -1.26 -4.89 113.70 121.07 1wfo s SER 128 Ca 0.53 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.97 1wfo s SER 128 Cb 0.14 -1.52 0.02 0.00 -1.71 0.00 0.00 66.02 62.95 1wfo s SER 128 CO 0.02 -0.03 0.09 -0.24 1.20 0.00 0.00 173.24 174.28 1wfo n SER 129 N -1.12 -5.30 0.00 5.45 2.88 -1.26 -5.33 113.62 108.95 1wfo n SER 129 Ca -0.08 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.01 1wfo n SER 129 Cb 0.57 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42