#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfo s SER 2 N 0.00 -0.35 -0.05 1.61 0.15 -1.26 -5.19 113.70 108.61 1wfo s SER 2 Ca 0.00 -0.15 -0.32 0.00 0.70 0.00 0.00 55.95 56.19 1wfo s SER 2 Cb 0.00 0.48 0.13 0.00 -1.71 0.00 0.00 66.02 64.92 1wfo s SER 2 CO 0.00 -0.81 1.36 -0.55 1.20 0.00 0.00 173.24 174.44 1wfo s SER 3 N -2.68 -0.03 -0.30 5.45 0.15 -1.26 -5.17 113.70 109.85 1wfo s SER 3 Ca 0.07 -0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 1wfo s SER 3 Cb -0.01 0.09 0.19 0.00 -1.71 0.00 0.00 66.02 64.58 1wfo s SER 3 CO -0.06 -0.17 1.19 -0.83 1.20 0.00 0.00 173.24 174.57 1wfo s GLY 4 N -2.98 0.42 -0.29 9.45 0.00 -1.26 -5.17 107.32 107.49 1wfo s GLY 4 Ca 0.14 3.63 -0.20 0.00 0.00 0.00 0.00 44.72 48.30 1wfo s GLY 4 CO -0.05 2.84 1.08 -1.35 0.00 0.00 0.00 173.10 175.62 1wfo s SER 5 N 1.31 -0.39 -0.24 1.64 1.04 -1.26 -5.18 113.70 110.62 1wfo s SER 5 Ca -0.07 0.68 -0.28 0.00 0.48 0.00 0.00 55.95 56.77 1wfo s SER 5 Cb -0.03 0.94 0.15 0.00 0.10 0.00 0.00 66.02 67.18 1wfo s SER 5 CO -0.12 -0.11 1.15 -0.94 0.98 0.00 0.00 173.24 174.20 1wfo s SER 6 N 0.76 -0.28 0.00 7.02 1.04 -1.26 -5.12 113.70 115.87 1wfo s SER 6 Ca -0.03 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1wfo s SER 6 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1wfo s SER 6 CO -0.12 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1wfo n GLY 7 N 1.23 0.71 1.62 7.32 0.00 -1.26 -5.10 105.19 109.71 1wfo n GLY 7 Ca -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1wfo n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wfo n ARG 8 N 0.00 -4.42 -1.86 1.61 0.00 -1.26 -4.56 116.66 106.17 1wfo n ARG 8 Ca 0.00 3.38 -0.40 0.00 -0.00 0.00 0.00 57.85 60.83 1wfo n ARG 8 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 32.46 28.38 1wfo n ARG 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1wfo s ILE 9 N -4.73 3.26 -0.34 5.15 1.01 -1.26 -4.86 121.20 119.44 1wfo s ILE 9 Ca 0.00 0.21 -0.35 0.00 0.00 0.00 0.00 60.65 60.51 1wfo s ILE 9 Cb 0.00 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 1wfo s ILE 9 CO 0.00 -0.45 2.19 0.61 0.00 0.00 0.00 174.94 177.29 1wfo n GLY 10 N 5.71 0.54 3.64 6.18 0.00 -1.26 -4.87 105.19 115.12 1wfo n GLY 10 Ca 0.26 0.92 -0.08 0.00 0.00 0.00 0.00 46.02 47.12 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 7.37 -0.38 -0.30 1.61 2.15 -1.26 -5.10 116.67 120.76 1wfo s ASP 11 Ca 1.09 0.74 -0.09 0.00 0.43 0.00 0.00 52.55 54.71 1wfo s ASP 11 Cb -0.82 0.74 0.18 0.00 -0.30 0.00 0.00 42.92 42.73 1wfo s ASP 11 CO 0.48 -0.13 0.92 -0.83 -0.17 0.00 0.00 175.17 175.44 1wfo s GLY 12 N 0.16 -0.60 -0.50 2.66 0.00 -1.26 -5.10 107.32 102.69 1wfo s GLY 12 Ca 0.04 2.41 0.06 0.00 0.00 0.00 0.00 44.72 47.24 1wfo s GLY 12 CO -0.08 3.73 0.70 1.44 0.00 0.00 0.00 173.10 178.90 1wfo n SER 13 N 5.43 -2.86 -4.82 1.64 7.64 -1.26 -5.08 113.62 114.31 1wfo n SER 13 Ca -0.04 -2.91 -0.31 0.00 1.01 0.00 0.00 58.87 56.62 1wfo n SER 13 Cb 0.53 1.39 0.05 0.00 -1.01 0.00 0.00 64.21 65.18 1wfo n SER 13 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wfo s PRO 14 N 0.66 2.94 -0.69 1.43 0.04 -1.26 -5.02 135.00 133.11 1wfo s PRO 14 Ca 0.31 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 1wfo s PRO 14 Cb 0.05 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.78 1wfo s PRO 14 CO -0.11 -1.10 0.52 0.45 0.04 0.00 0.00 177.00 176.80 1wfo s SER 15 N -3.80 5.37 0.10 6.66 0.15 -1.26 -5.04 113.70 115.88 1wfo s SER 15 Ca 0.58 -3.09 -0.12 0.00 0.70 0.00 0.00 55.95 54.03 1wfo s SER 15 Cb -0.14 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.33 1wfo s SER 15 CO 0.55 -0.32 0.27 -1.38 1.20 0.00 0.00 173.24 173.57 1wfo s HIS 16 N -0.41 0.01 0.77 3.44 -3.43 -1.26 -5.17 115.29 109.24 1wfo s HIS 16 Ca 0.20 -0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 53.96 1wfo s HIS 16 Cb -0.17 0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.10 1wfo s HIS 16 CO -0.06 -0.60 1.09 -1.25 -2.00 0.00 0.00 174.74 171.92 1wfo s PRO 17 N -3.77 2.29 -0.10 -0.38 0.04 -1.26 -4.99 135.00 126.84 1wfo s PRO 17 Ca 0.04 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 1wfo s PRO 17 Cb 0.03 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1wfo s PRO 17 CO -0.11 -1.49 1.24 -1.25 0.04 0.00 0.00 177.00 175.43 1wfo s PRO 18 N -5.13 4.30 0.12 0.56 0.04 -1.26 -5.01 135.00 128.62 1wfo s PRO 18 Ca 0.60 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 1wfo s PRO 18 Cb -0.14 -3.64 -0.07 0.00 0.04 0.00 0.00 34.50 30.69 1wfo s PRO 18 CO 0.54 -0.56 0.55 0.42 0.04 0.00 0.00 177.00 177.99 1wfo s ILE 19 N 2.75 4.84 -0.85 0.56 -1.09 -1.26 -4.95 121.20 121.20 1wfo s ILE 19 Ca 0.56 0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 59.72 1wfo s ILE 19 Cb -0.24 -3.77 -0.12 0.00 -1.58 0.00 0.00 42.46 36.75 1wfo s ILE 19 CO 0.19 0.33 1.99 -0.11 -1.23 0.00 0.00 174.94 176.11 1wfo n LEU 20 N 1.05 4.47 -4.84 2.97 7.94 -1.26 -4.86 117.00 122.47 1wfo n LEU 20 Ca -0.07 -2.96 -0.24 0.00 -1.11 0.00 0.00 56.01 51.63 1wfo n LEU 20 Cb 0.52 -1.14 -0.04 0.00 0.53 0.00 0.00 43.42 43.28 1wfo n LEU 20 CO 0.42 -0.02 -0.16 -1.61 -1.11 0.00 0.00 177.39 174.91 1wfo s GLU 21 N 4.48 3.02 -0.11 1.96 0.41 -1.26 -4.85 118.70 122.35 1wfo s GLU 21 Ca 0.52 -0.92 -0.06 0.00 -0.41 0.00 0.00 54.97 54.11 1wfo s GLU 21 Cb 0.13 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1wfo s GLU 21 CO 0.07 0.44 0.11 -2.13 -0.49 0.00 0.00 175.26 173.26 1wfo n ARG 22 N -0.87 -2.87 0.06 1.61 0.63 -1.26 -4.95 116.66 109.01 1wfo n ARG 22 Ca -0.08 2.32 -0.03 0.00 -0.92 0.00 0.00 57.85 59.13 1wfo n ARG 22 Cb 0.56 -3.08 -0.02 0.00 0.45 0.00 0.00 32.46 30.38 1wfo n ARG 22 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1wfo h THR 23 N 4.39 0.00 -2.68 5.15 2.02 -2.01 -3.46 112.91 116.32 1wfo h THR 23 Ca -0.25 -0.56 -0.59 0.00 0.77 0.00 0.00 66.41 65.77 1wfo h THR 23 Cb 0.65 0.00 0.16 0.00 -1.74 0.00 0.00 68.15 67.22 1wfo h THR 23 CO 0.01 0.00 -0.35 0.18 0.37 0.00 0.00 175.52 175.74 1wfo n LEU 24 N -4.16 0.55 -4.65 2.58 7.99 -1.26 -4.89 117.00 113.17 1wfo n LEU 24 Ca -0.03 0.85 -0.31 0.00 -0.01 0.00 0.00 56.01 56.51 1wfo n LEU 24 Cb 0.09 -1.16 0.18 0.00 -0.11 0.00 0.00 43.42 42.42 1wfo n LEU 24 CO 0.07 -2.83 0.66 -0.62 -1.51 0.00 0.00 177.39 173.16 1wfo s ASP 25 N -1.02 2.60 0.00 -1.43 -1.08 -1.26 -5.03 116.67 109.45 1wfo s ASP 25 Ca 0.65 2.10 0.00 0.00 -0.52 0.00 0.00 52.55 54.78 1wfo s ASP 25 Cb -0.53 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.40 1wfo s ASP 25 CO 0.56 -3.29 0.00 -0.90 0.52 0.00 0.00 175.17 172.07 1wfo n ASP 26 N -4.35 0.00 -4.06 -0.34 5.68 -1.17 -5.12 116.55 107.19 1wfo n ASP 26 Ca 0.11 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.03 1wfo n ASP 26 Cb 0.52 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.54 1wfo n ASP 26 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1wfo n VAL 27 N -0.14 0.03 -1.54 2.12 0.24 -1.26 -4.45 118.33 113.33 1wfo n VAL 27 Ca 0.00 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.52 1wfo n VAL 27 Cb 0.00 -0.03 0.14 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.90 1.02 0.00 7.34 0.04 -1.23 -4.84 135.00 135.42 1wfo s PRO 28 Ca 0.44 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1wfo s PRO 28 Cb -0.24 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wfo s PRO 28 CO 0.79 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1wfo n GLY 29 N -2.24 0.32 3.73 0.56 0.00 -1.24 -2.15 105.19 104.18 1wfo n GLY 29 Ca 0.07 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.95 4.55 -0.46 1.61 0.04 -1.26 -3.94 135.00 134.58 1wfo s PRO 30 Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1wfo s PRO 30 Cb 0.00 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1wfo s PRO 30 CO 0.00 -0.02 1.44 -1.25 0.04 0.00 0.00 177.00 177.21 1wfo s PRO 31 N -0.02 3.45 0.44 0.56 0.04 -1.26 -4.70 135.00 133.51 1wfo s PRO 31 Ca 0.52 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 1wfo s PRO 31 Cb -0.30 -4.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 1wfo s PRO 31 CO 0.34 -1.73 0.68 0.00 0.04 0.00 0.00 177.00 176.33 1wfo s MET 32 N 5.20 3.29 0.00 4.56 0.23 -1.25 -4.53 119.30 126.79 1wfo s MET 32 Ca 0.60 -0.24 0.00 0.00 -1.03 0.00 0.00 55.69 55.01 1wfo s MET 32 Cb -0.13 -2.52 0.00 0.00 -1.53 0.00 0.00 34.83 30.65 1wfo s MET 32 CO 0.30 -0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.54 1wfo n GLY 33 N -2.08 1.03 3.56 3.16 0.00 -1.26 -2.64 105.19 106.97 1wfo n GLY 33 Ca -0.00 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.37 4.62 0.05 -0.61 -1.09 -1.26 -3.96 121.20 116.59 1wfo s ILE 34 Ca 0.00 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1wfo s ILE 34 Cb 0.00 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1wfo s ILE 34 CO 0.00 -0.66 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.20 1wfo s LEU 35 N 3.37 2.26 -0.58 2.97 1.43 -0.67 -5.01 118.68 122.45 1wfo s LEU 35 Ca 0.33 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1wfo s LEU 35 Cb -0.12 -0.26 0.15 0.00 0.03 0.00 0.00 46.19 45.99 1wfo s LEU 35 CO 0.22 -0.17 0.38 -0.36 0.23 0.00 0.00 176.35 176.65 1wfo s PHE 36 N -1.33 3.41 -0.07 0.29 0.08 -1.26 -1.16 117.98 117.94 1wfo s PHE 36 Ca -0.08 -2.74 -0.26 0.00 0.12 0.00 0.00 56.93 53.97 1wfo s PHE 36 Cb -0.10 -3.15 -0.23 0.00 -0.57 0.00 0.00 43.02 38.97 1wfo s PHE 36 CO 0.01 -0.85 1.03 -1.00 -0.10 0.00 0.00 175.22 174.31 1wfo h PRO 37 N 7.11 0.07 -4.95 0.24 0.13 -1.94 -3.43 132.00 129.23 1wfo h PRO 37 Ca -0.04 -0.07 -0.67 0.00 -0.87 0.00 0.00 66.00 64.36 1wfo h PRO 37 Cb 0.96 0.02 -0.32 0.00 0.13 0.00 0.00 31.00 31.78 1wfo h PRO 37 CO 0.70 0.80 -0.77 -2.00 -0.23 0.00 0.00 178.00 176.51 1wfo s GLU 38 N -3.23 2.91 -0.04 0.86 2.12 -1.09 -4.74 118.70 115.49 1wfo s GLU 38 Ca -0.17 -0.92 -0.01 0.00 0.36 0.00 0.00 54.97 54.23 1wfo s GLU 38 Cb -0.00 -2.90 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1wfo s GLU 38 CO 0.70 -0.34 0.06 0.08 -0.54 0.00 0.00 175.26 175.22 1wfo s VAL 39 N 1.33 -0.10 0.00 3.70 1.01 -1.26 0.17 120.40 125.25 1wfo s VAL 39 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1wfo s VAL 39 Cb -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1wfo s VAL 39 CO -0.06 0.14 0.00 0.54 0.00 0.00 0.00 175.10 175.72 1wfo n ARG 40 N 4.80 3.05 0.00 2.72 1.74 0.57 -4.73 116.66 124.81 1wfo n ARG 40 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfo n THR 41 N -0.02 0.00 0.21 0.55 -2.24 -1.26 -3.01 114.28 108.51 1wfo n THR 41 Ca 0.00 0.33 0.03 0.00 -2.27 0.00 0.00 64.05 62.13 1wfo n THR 41 Cb 0.00 -0.81 0.17 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.19 1.16 -3.68 4.28 -2.24 -1.24 -4.30 114.28 108.08 1wfo n THR 42 Ca 0.00 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 1wfo n THR 42 Cb 0.00 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 67.73 1wfo n THR 42 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfo s SER 43 N -0.31 -0.61 0.30 3.42 1.04 -1.26 0.12 113.70 116.40 1wfo s SER 43 Ca 0.23 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.74 1wfo s SER 43 Cb 0.17 1.12 -0.01 0.00 0.10 0.00 0.00 66.02 67.41 1wfo s SER 43 CO 0.07 -0.20 0.42 0.68 0.98 0.00 0.00 173.24 175.19 1wfo s VAL 44 N 0.54 0.00 -0.30 5.02 -7.23 0.16 0.21 120.40 118.80 1wfo s VAL 44 Ca -0.02 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1wfo s VAL 44 Cb -0.04 -2.50 0.19 0.00 0.56 0.00 0.00 36.38 34.59 1wfo s VAL 44 CO -0.03 0.00 0.64 -0.60 -0.31 0.00 0.00 175.10 174.81 1wfo s ARG 45 N -3.48 0.53 0.41 4.82 3.52 0.45 -1.15 118.95 124.05 1wfo s ARG 45 Ca 0.30 0.89 0.08 0.00 -0.13 0.00 0.00 55.73 56.86 1wfo s ARG 45 Cb 0.01 0.49 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 1wfo s ARG 45 CO 0.16 -0.63 0.32 -0.48 -0.81 0.00 0.00 175.30 173.86 1wfo s LEU 46 N 2.87 3.31 -0.00 -0.88 2.34 -1.11 -2.67 118.68 122.54 1wfo s LEU 46 Ca 0.18 -0.84 0.01 0.00 0.06 0.00 0.00 54.13 53.54 1wfo s LEU 46 Cb -0.14 -1.88 -0.00 0.00 -0.56 0.00 0.00 46.19 43.61 1wfo s LEU 46 CO -0.21 -0.61 -0.02 0.27 -1.06 0.00 0.00 176.35 174.72 1wfo s ILE 47 N -2.51 0.15 0.40 1.48 -0.00 -0.31 -2.32 121.20 118.10 1wfo s ILE 47 Ca 0.46 -0.12 0.04 0.00 -0.00 0.00 0.00 60.65 61.03 1wfo s ILE 47 Cb -0.01 -0.14 -0.02 0.00 -0.00 0.00 0.00 42.46 42.29 1wfo s ILE 47 CO 0.26 0.02 0.16 -2.67 -0.00 0.00 0.00 174.94 172.71 1wfo n TRP 48 N 2.97 0.04 -4.18 1.37 2.14 0.19 -1.67 117.44 118.30 1wfo n TRP 48 Ca -0.13 -2.65 -0.11 0.00 2.07 0.00 0.00 57.50 56.68 1wfo n TRP 48 Cb 0.59 0.02 -0.10 0.00 -0.81 0.00 0.00 31.31 31.02 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 -3.54 0.90 0.54 -2.67 -0.21 -1.08 -4.63 119.66 108.97 1wfo s GLN 49 Ca 0.23 -1.40 -0.18 0.00 0.02 0.00 0.00 55.36 54.03 1wfo s GLN 49 Cb 0.01 -0.10 -0.06 0.00 1.00 0.00 0.00 33.01 33.87 1wfo s GLN 49 CO 0.16 -0.10 1.04 -1.25 -2.12 0.00 0.00 175.29 173.02 1wfo s PRO 50 N -3.90 3.56 -0.10 2.91 0.04 -1.26 -3.95 135.00 132.29 1wfo s PRO 50 Ca 0.17 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1wfo s PRO 50 Cb 0.06 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1wfo s PRO 50 CO -0.02 -0.62 1.24 -1.25 0.04 0.00 0.00 177.00 176.39 1wfo s PRO 51 N -3.73 4.30 0.55 0.56 0.04 -1.26 -4.74 135.00 130.71 1wfo s PRO 51 Ca 0.65 1.69 0.45 0.00 0.04 0.00 0.00 61.00 63.82 1wfo s PRO 51 Cb -0.16 -3.65 1.66 0.00 0.04 0.00 0.00 34.50 32.39 1wfo s PRO 51 CO 0.30 -0.56 1.66 0.00 0.04 0.00 0.00 177.00 178.43 1wfo h ALA 52 N 7.80 3.55 -3.13 8.56 0.00 -1.94 -2.28 119.26 131.82 1wfo h ALA 52 Ca -0.31 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.89 1wfo h ALA 52 Cb 1.14 0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.67 1wfo h ALA 52 CO 0.92 -2.03 -0.45 0.00 0.00 0.00 0.00 179.25 177.69 1wfo s ALA 53 N -4.92 3.74 0.16 0.00 0.00 -1.26 -4.89 121.76 114.59 1wfo s ALA 53 Ca -0.05 -3.59 -0.02 0.00 0.00 0.00 0.00 51.96 48.30 1wfo s ALA 53 Cb 0.26 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1wfo s ALA 53 CO 0.86 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.90 1wfo h PRO 54 N 6.11 0.35 -7.12 0.00 0.13 -1.80 -3.28 132.00 126.40 1wfo h PRO 54 Ca 0.06 -0.35 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 1wfo h PRO 54 Cb 0.84 0.09 -0.34 0.00 0.13 0.00 0.00 31.00 31.71 1wfo h PRO 54 CO 0.74 1.02 -0.90 0.09 -0.23 0.00 0.00 178.00 178.71 1wfo n ASN 55 N -3.76 -1.91 0.00 1.44 3.02 -1.26 -3.53 115.26 109.25 1wfo n ASN 55 Ca -0.05 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1wfo n ASN 55 Cb 0.78 -1.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 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 -1.22 3.09 3.61 7.41 0.00 -1.26 -3.02 105.19 113.80 1wfo n GLY 56 Ca 0.08 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.01 3.08 0.20 -0.61 1.09 -1.26 -4.88 121.20 118.80 1wfo s ILE 57 Ca 0.00 0.08 -0.32 0.00 -1.10 0.00 0.00 60.65 59.31 1wfo s ILE 57 Cb 0.00 -3.09 -0.13 0.00 -1.06 0.00 0.00 42.46 38.18 1wfo s ILE 57 CO 0.00 -0.05 1.67 -0.38 -0.10 0.00 0.00 174.94 176.07 1wfo n ILE 58 N 7.33 0.08 -0.04 2.92 2.08 -1.26 -4.49 119.36 125.98 1wfo n ILE 58 Ca 0.27 -0.02 0.03 0.00 0.56 0.00 0.00 62.75 63.59 1wfo n ILE 58 Cb 0.45 -1.83 -0.15 0.00 -0.75 0.00 0.00 39.64 37.35 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 3.66 0.00 0.00 1.39 4.77 0.51 -4.72 117.00 122.62 1wfo n LEU 59 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1wfo n LEU 59 Cb 0.33 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1wfo n LEU 59 CO 0.64 0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.85 1wfo n ALA 60 N -2.34 0.00 -2.48 -1.18 0.00 -1.16 -3.43 120.51 109.92 1wfo n ALA 60 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1wfo n ALA 60 Cb 0.70 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.93 1.12 -0.00 0.00 1.51 0.38 0.12 117.35 117.55 1wfo s TYR 61 Ca 0.00 -1.31 0.01 0.00 -1.01 0.00 0.00 57.07 54.76 1wfo s TYR 61 Cb 0.00 -0.39 0.00 0.00 -0.11 0.00 0.00 41.96 41.46 1wfo s TYR 61 CO 0.00 -0.81 -0.02 -1.14 -1.11 0.00 0.00 175.55 172.47 1wfo s GLN 62 N -3.85 0.17 -0.13 -0.62 0.74 0.24 0.19 119.66 116.40 1wfo s GLN 62 Ca 0.35 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 1wfo s GLN 62 Cb 0.04 -0.18 0.04 0.00 1.10 0.00 0.00 33.01 34.01 1wfo s GLN 62 CO 0.16 0.03 -0.03 0.42 -0.55 0.00 0.00 175.29 175.32 1wfo s ILE 63 N 0.01 0.77 -0.13 -2.34 1.01 -0.07 -0.65 121.20 119.81 1wfo s ILE 63 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1wfo s ILE 63 Cb -0.02 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1wfo s ILE 63 CO -0.00 0.17 -0.11 0.42 0.00 0.00 0.00 174.94 175.42 1wfo s THR 64 N 1.79 3.19 -0.08 2.92 -4.23 -0.70 -2.51 115.64 116.03 1wfo s THR 64 Ca 0.03 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 1wfo s THR 64 Cb -0.14 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1wfo s THR 64 CO -0.07 0.52 -0.17 -1.38 -0.54 0.00 0.00 174.62 172.98 1wfo s HIS 65 N 0.36 1.89 -0.27 3.99 -3.43 -1.25 -0.88 115.29 115.69 1wfo s HIS 65 Ca -0.10 -0.74 -0.24 0.00 -0.80 0.00 0.00 55.06 53.19 1wfo s HIS 65 Cb -0.16 -1.32 0.08 0.00 -1.43 0.00 0.00 32.58 29.76 1wfo s HIS 65 CO 0.05 -0.33 0.79 -0.98 -2.00 0.00 0.00 174.74 172.27 1wfo s ARG 66 N 0.54 0.74 0.01 -0.38 1.70 -1.19 -3.91 118.95 116.45 1wfo s ARG 66 Ca -0.16 0.93 -0.37 0.00 -0.47 0.00 0.00 55.73 55.66 1wfo s ARG 66 Cb -0.17 0.33 -0.18 0.00 -0.57 0.00 0.00 34.95 34.36 1wfo s ARG 66 CO 0.06 -0.10 0.98 1.28 -1.08 0.00 0.00 175.30 176.44 1wfo n LEU 67 N 2.82 -0.05 0.01 -1.89 7.99 -1.26 -2.23 117.00 122.39 1wfo n LEU 67 Ca -0.15 1.08 0.04 0.00 -0.01 0.00 0.00 56.01 56.97 1wfo n LEU 67 Cb 0.56 -0.86 0.18 0.00 -0.11 0.00 0.00 43.42 43.19 1wfo n LEU 67 CO 0.02 -1.81 0.63 -3.20 -1.51 0.00 0.00 177.39 171.52 1wfo n ASN 68 N 1.41 0.05 -3.15 -1.43 5.15 0.36 -4.41 115.26 113.23 1wfo n ASN 68 Ca 0.19 0.52 0.06 0.00 -0.60 0.00 0.00 54.58 54.74 1wfo n ASN 68 Cb 0.08 -0.53 -0.02 0.00 -0.53 0.00 0.00 39.78 38.79 1wfo n ASN 68 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wfo s THR 69 N -3.03 -0.20 0.00 -0.44 -1.32 -1.26 -5.05 115.64 104.34 1wfo s THR 69 Ca 0.03 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 1wfo s THR 69 Cb 0.05 -0.89 0.01 0.00 -1.51 0.00 0.00 72.50 70.16 1wfo s THR 69 CO 0.14 0.00 0.19 1.07 -2.21 0.00 0.00 174.62 173.81 1wfo n THR 70 N 5.43 0.00 -3.92 5.08 5.66 -1.26 -4.96 114.28 120.30 1wfo n THR 70 Ca -0.06 -0.03 -0.34 0.00 -3.05 0.00 0.00 64.05 60.57 1wfo n THR 70 Cb 0.55 0.09 -0.14 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.19 2.82 0.00 1.09 -4.23 -1.26 -5.07 115.64 106.81 1wfo s THR 71 Ca 0.04 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1wfo s THR 71 Cb -0.00 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1wfo s THR 71 CO 0.00 -0.27 0.00 0.00 -0.54 0.00 0.00 174.62 173.81 1wfo n ALA 72 N 4.54 0.00 -0.08 3.99 0.00 -1.26 -5.10 120.51 122.59 1wfo n ALA 72 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1wfo n ALA 72 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1wfo n ALA 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wfo n ASN 73 N -2.40 1.79 -3.89 0.00 5.15 -1.26 -5.09 115.26 109.55 1wfo n ASN 73 Ca 0.00 0.30 -0.08 0.00 -0.60 0.00 0.00 54.58 54.20 1wfo n ASN 73 Cb 0.00 -0.69 -0.04 0.00 -0.53 0.00 0.00 39.78 38.52 1wfo n ASN 73 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wfo s THR 74 N -2.69 0.00 0.16 -0.44 2.01 -1.26 -5.17 115.64 108.26 1wfo s THR 74 Ca -0.27 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.59 1wfo s THR 74 Cb 0.06 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1wfo s THR 74 CO 0.38 -0.02 0.37 0.00 -0.69 0.00 0.00 174.62 174.66 1wfo s ALA 75 N -3.95 3.83 -0.61 7.40 0.00 -1.26 -5.04 121.76 122.12 1wfo s ALA 75 Ca 0.15 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1wfo s ALA 75 Cb -0.03 -2.05 0.07 0.00 0.00 0.00 0.00 23.12 21.11 1wfo s ALA 75 CO 0.06 0.60 0.88 0.99 0.00 0.00 0.00 175.76 178.29 1wfo s THR 76 N -1.72 4.47 0.01 0.00 2.01 -1.25 -5.00 115.64 114.16 1wfo s THR 76 Ca 0.40 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 1wfo s THR 76 Cb -0.12 -4.58 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 1wfo s THR 76 CO 0.27 -1.26 0.73 -0.69 -0.69 0.00 0.00 174.62 172.97 1wfo s VAL 77 N 3.68 4.83 -0.03 3.82 1.01 -1.26 -3.99 120.40 128.46 1wfo s VAL 77 Ca 0.22 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.76 1wfo s VAL 77 Cb -0.17 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wfo s VAL 77 CO 0.12 0.34 -0.13 -0.70 0.00 0.00 0.00 175.10 174.73 1wfo s GLU 78 N 0.13 1.38 -0.15 2.72 2.12 -1.04 -5.00 118.70 118.85 1wfo s GLU 78 Ca 0.37 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 55.12 1wfo s GLU 78 Cb -0.19 -1.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.92 1wfo s GLU 78 CO 0.21 0.18 0.25 0.08 -0.54 0.00 0.00 175.26 175.43 1wfo s VAL 79 N 0.13 5.33 0.45 3.70 1.01 -1.26 -0.89 120.40 128.87 1wfo s VAL 79 Ca -0.04 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1wfo s VAL 79 Cb -0.10 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1wfo s VAL 79 CO 0.01 0.44 0.27 -0.76 0.00 0.00 0.00 175.10 175.06 1wfo s LEU 80 N 0.19 3.06 0.80 3.92 1.43 0.52 -4.92 118.68 123.68 1wfo s LEU 80 Ca 0.15 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1wfo s LEU 80 Cb -0.13 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.66 1wfo s LEU 80 CO 0.03 -0.71 1.15 0.00 0.23 0.00 0.00 176.35 177.05 1wfo s ALA 81 N -2.62 2.50 -1.41 4.21 0.00 -1.26 -0.47 121.76 122.71 1wfo s ALA 81 Ca 0.40 -0.51 0.23 0.00 0.00 0.00 0.00 51.96 52.07 1wfo s ALA 81 Cb 0.01 -3.00 1.14 0.00 0.00 0.00 0.00 23.12 21.26 1wfo s ALA 81 CO 0.23 -1.68 1.74 -0.35 0.00 0.00 0.00 175.76 175.70 1wfo n PRO 82 N -3.35 0.31 -1.03 0.00 -0.04 -1.22 -2.59 135.00 127.08 1wfo n PRO 82 Ca 0.07 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1wfo n PRO 82 Cb 0.59 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.71 1wfo n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfo n SER 83 N -1.30 3.00 -4.50 3.54 2.88 -1.26 -4.84 113.62 111.14 1wfo n SER 83 Ca 0.10 -3.82 -0.39 0.00 -1.33 0.00 0.00 58.87 53.43 1wfo n SER 83 Cb 0.19 -0.56 -0.11 0.00 -0.75 0.00 0.00 64.21 62.97 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfo s ALA 84 N -3.35 3.40 -0.07 -1.46 0.00 -1.07 -4.92 121.76 114.28 1wfo s ALA 84 Ca 0.45 -1.29 0.21 0.00 0.00 0.00 0.00 51.96 51.33 1wfo s ALA 84 Cb 0.40 -2.46 -0.31 0.00 0.00 0.00 0.00 23.12 20.75 1wfo s ALA 84 CO -0.02 -0.80 0.37 -2.13 0.00 0.00 0.00 175.76 173.19 1wfo n ARG 85 N 5.03 0.67 -4.11 0.00 3.00 -1.26 -4.95 116.66 115.05 1wfo n ARG 85 Ca -0.14 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.85 57.46 1wfo n ARG 85 Cb 0.50 -1.51 -0.09 0.00 0.00 0.00 0.00 32.46 31.36 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 -3.25 1.13 -0.01 -0.14 -2.07 -1.26 0.53 119.66 114.59 1wfo s GLN 86 Ca -0.08 -1.42 -0.14 0.00 -1.82 0.00 0.00 55.36 51.90 1wfo s GLN 86 Cb 0.12 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.36 1wfo s GLN 86 CO 0.88 -0.38 0.29 -0.47 -1.32 0.00 0.00 175.29 174.28 1wfo s TYR 87 N -4.06 -0.15 -0.22 9.60 5.04 -0.98 -5.01 117.35 121.57 1wfo s TYR 87 Ca 0.27 0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 55.06 1wfo s TYR 87 Cb 0.06 0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.42 1wfo s TYR 87 CO 0.05 -0.37 0.03 0.99 -1.34 0.00 0.00 175.55 174.92 1wfo s THR 88 N -1.32 4.16 -0.31 4.34 2.01 -1.26 -2.77 115.64 120.50 1wfo s THR 88 Ca -0.14 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 1wfo s THR 88 Cb -0.05 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1wfo s THR 88 CO 0.04 0.39 0.13 0.00 -0.69 0.00 0.00 174.62 174.49 1wfo s ALA 89 N 1.23 3.19 0.25 7.40 0.00 -0.30 -4.98 121.76 128.55 1wfo s ALA 89 Ca 0.04 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.65 1wfo s ALA 89 Cb -0.15 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 1wfo s ALA 89 CO 0.02 -0.96 -0.11 0.95 0.00 0.00 0.00 175.76 175.66 1wfo s THR 90 N 1.56 2.97 -0.43 0.00 -4.23 -1.26 0.36 115.64 114.60 1wfo s THR 90 Ca 0.03 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1wfo s THR 90 Cb -0.17 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 1wfo s THR 90 CO 0.05 -0.32 0.39 0.61 -0.54 0.00 0.00 174.62 174.80 1wfo n GLY 91 N -0.55 -0.30 3.40 3.99 0.00 0.33 -4.93 105.19 107.13 1wfo n GLY 91 Ca -0.07 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.66 2.55 -0.16 0.99 1.43 -0.88 -5.00 118.68 113.95 1wfo s LEU 92 Ca 0.13 -1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 51.96 1wfo s LEU 92 Cb -0.02 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1wfo s LEU 92 CO 0.34 -0.18 0.57 -0.75 0.23 0.00 0.00 176.35 176.56 1wfo s LYS 93 N -3.64 4.26 0.78 1.70 2.20 -1.26 -3.65 119.74 120.13 1wfo s LYS 93 Ca 0.26 0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 56.31 1wfo s LYS 93 Cb -0.00 -3.52 0.06 0.00 -1.51 0.00 0.00 37.83 32.85 1wfo s LYS 93 CO 0.10 -0.09 1.09 -1.25 -0.36 0.00 0.00 175.35 174.84 1wfo s PRO 94 N 1.41 2.24 -1.29 4.03 0.04 -1.26 -4.02 135.00 136.15 1wfo s PRO 94 Ca 0.28 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 1wfo s PRO 94 Cb -0.16 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1wfo s PRO 94 CO 0.11 -1.52 1.08 0.39 0.04 0.00 0.00 177.00 177.10 1wfo n GLU 95 N -3.37 -7.21 -3.29 4.56 1.02 0.19 -4.95 120.64 107.59 1wfo n GLU 95 Ca 0.07 0.83 -0.10 0.00 -0.02 0.00 0.00 57.16 57.94 1wfo n GLU 95 Cb 0.56 -5.85 -0.01 0.00 -0.02 0.00 0.00 31.44 26.11 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfo n SER 96 N -3.07 -1.17 -4.13 1.62 7.64 -1.25 -4.98 113.62 108.28 1wfo n SER 96 Ca -0.14 -2.36 -0.30 0.00 1.01 0.00 0.00 58.87 57.08 1wfo n SER 96 Cb 0.61 2.11 -0.17 0.00 -1.01 0.00 0.00 64.21 65.76 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 -2.63 1.75 -0.11 0.44 1.01 -1.26 -1.47 120.40 118.13 1wfo s VAL 97 Ca 0.19 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wfo s VAL 97 Cb -0.01 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1wfo s VAL 97 CO 0.14 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.25 1wfo s TYR 98 N 0.66 2.70 -0.25 5.22 1.51 0.54 0.13 117.35 127.86 1wfo s TYR 98 Ca -0.13 -0.74 -0.14 0.00 -1.01 0.00 0.00 57.07 55.06 1wfo s TYR 98 Cb -0.16 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1wfo s TYR 98 CO 0.03 -0.25 0.32 -1.17 -1.11 0.00 0.00 175.55 173.38 1wfo s LEU 99 N 0.23 4.08 -0.36 -1.29 1.98 -0.95 0.87 118.68 123.24 1wfo s LEU 99 Ca -0.11 0.28 -0.12 0.00 -2.89 0.00 0.00 54.13 51.29 1wfo s LEU 99 Cb -0.16 -2.36 0.01 0.00 0.66 0.00 0.00 46.19 44.34 1wfo s LEU 99 CO 0.06 -0.10 0.22 -0.36 -1.89 0.00 0.00 176.35 174.28 1wfo s PHE 100 N 1.67 3.22 -0.41 5.38 0.40 0.51 -3.16 117.98 125.59 1wfo s PHE 100 Ca 0.14 -0.59 -0.14 0.00 -0.60 0.00 0.00 56.93 55.74 1wfo s PHE 100 Cb -0.15 -2.46 0.03 0.00 0.51 0.00 0.00 43.02 40.95 1wfo s PHE 100 CO 0.09 -0.51 0.29 0.50 0.70 0.00 0.00 175.22 176.28 1wfo s ARG 101 N 1.64 2.92 -0.10 0.44 3.52 -0.06 0.16 118.95 127.47 1wfo s ARG 101 Ca 0.04 -1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 54.42 1wfo s ARG 101 Cb -0.18 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.23 1wfo s ARG 101 CO 0.08 -0.79 0.25 0.42 -0.81 0.00 0.00 175.30 174.45 1wfo s ILE 102 N 1.63 5.31 0.05 4.11 1.01 0.35 -1.72 121.20 131.94 1wfo s ILE 102 Ca 0.04 0.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1wfo s ILE 102 Cb -0.20 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1wfo s ILE 102 CO 0.08 0.55 0.25 -0.89 0.00 0.00 0.00 174.94 174.93 1wfo s THR 103 N -0.63 0.10 0.21 2.92 2.01 0.18 -0.60 115.64 119.83 1wfo s THR 103 Ca 0.17 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1wfo s THR 103 Cb -0.14 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1wfo s THR 103 CO 0.06 -0.46 -0.02 0.00 -0.69 0.00 0.00 174.62 173.51 1wfo s ALA 104 N -2.80 3.13 -0.15 7.40 0.00 -1.26 0.79 121.76 128.87 1wfo s ALA 104 Ca -0.03 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1wfo s ALA 104 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1wfo s ALA 104 CO -0.05 0.39 -0.17 -1.14 0.00 0.00 0.00 175.76 174.79 1wfo s GLN 105 N -3.20 3.18 0.00 0.00 0.74 0.33 -3.62 119.66 117.08 1wfo s GLN 105 Ca 0.28 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.92 1wfo s GLN 105 Cb -0.08 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.47 1wfo s GLN 105 CO 0.18 0.04 0.00 0.25 -0.55 0.00 0.00 175.29 175.21 1wfo n THR 106 N 3.97 0.00 0.56 -0.34 -2.24 0.55 0.19 114.28 116.97 1wfo n THR 106 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1wfo n THR 106 Cb 0.52 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.20 -0.03 -0.78 1.85 -1.26 -2.97 116.66 113.67 1wfo n ARG 107 Ca 0.00 0.28 -0.17 0.00 -1.00 0.00 0.00 57.85 56.96 1wfo n ARG 107 Cb 0.00 -1.79 -0.14 0.00 -1.05 0.00 0.00 32.46 29.48 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 -2.15 0.71 0.00 2.89 4.76 -1.26 -5.10 118.16 118.01 1wfo n LYS 108 Ca 0.04 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1wfo n LYS 108 Cb 0.33 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfo n GLY 109 N 1.93 0.13 3.30 0.72 0.00 -1.16 -4.96 105.19 105.16 1wfo n GLY 109 Ca -0.31 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.92 3.10 0.00 1.61 0.52 -1.26 -0.33 118.94 119.66 1wfo s TRP 110 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 56.10 55.01 1wfo s TRP 110 Cb 0.00 -2.18 0.00 0.00 -1.15 0.00 0.00 33.47 30.14 1wfo s TRP 110 CO 0.00 -0.61 0.00 0.41 0.02 0.00 0.00 176.95 176.77 1wfo n GLY 111 N 4.80 0.30 3.49 0.98 0.00 -1.24 -4.97 105.19 108.56 1wfo n GLY 111 Ca -0.16 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1wfo n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfo s GLU 112 N 0.00 -0.92 -0.01 1.61 8.01 -0.92 -4.88 118.70 121.59 1wfo s GLU 112 Ca 0.00 0.84 0.00 0.00 0.01 0.00 0.00 54.97 55.82 1wfo s GLU 112 Cb 0.00 -1.55 0.02 0.00 -4.31 0.00 0.00 34.13 28.29 1wfo s GLU 112 CO 0.00 -3.73 0.02 0.00 0.01 0.00 0.00 175.26 171.56 1wfo s ALA 113 N -2.47 0.06 -0.24 5.21 0.00 -1.26 -4.41 121.76 118.65 1wfo s ALA 113 Ca 0.68 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 1wfo s ALA 113 Cb -0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1wfo s ALA 113 CO 0.64 -0.07 0.42 0.00 0.00 0.00 0.00 175.76 176.75 1wfo s ALA 114 N 0.74 3.57 -0.20 0.00 0.00 0.23 -4.84 121.76 121.26 1wfo s ALA 114 Ca -0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 1wfo s ALA 114 Cb -0.09 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1wfo s ALA 114 CO -0.02 -0.56 0.25 -1.21 0.00 0.00 0.00 175.76 174.22 1wfo s GLU 115 N 1.88 4.17 -0.08 0.00 2.02 -1.26 -0.50 118.70 124.94 1wfo s GLU 115 Ca 0.18 -0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 1wfo s GLU 115 Cb -0.15 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.62 1wfo s GLU 115 CO 0.09 0.13 -0.02 0.00 0.02 0.00 0.00 175.26 175.47 1wfo s ALA 116 N 0.84 0.90 0.12 5.21 0.00 0.12 -4.92 121.76 124.04 1wfo s ALA 116 Ca 0.13 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 1wfo s ALA 116 Cb -0.13 -0.80 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 1wfo s ALA 116 CO 0.04 -0.45 0.60 -0.51 0.00 0.00 0.00 175.76 175.45 1wfo s LEU 117 N 1.89 4.45 -0.11 0.00 1.43 -1.26 0.19 118.68 125.27 1wfo s LEU 117 Ca 0.05 1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1wfo s LEU 117 Cb -0.12 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.01 1wfo s LEU 117 CO -0.06 0.18 0.25 0.54 0.23 0.00 0.00 176.35 177.49 1wfo s VAL 118 N -1.28 -0.19 0.26 -1.59 0.11 0.25 -4.94 120.40 113.02 1wfo s VAL 118 Ca 0.34 0.21 -0.19 0.00 -2.93 0.00 0.00 61.98 59.41 1wfo s VAL 118 Cb -0.18 -0.40 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1wfo s VAL 118 CO 0.20 0.09 0.76 -0.69 -3.33 0.00 0.00 175.10 172.12 1wfo s VAL 119 N 1.75 4.55 -0.34 2.04 1.01 -1.26 -0.34 120.40 127.80 1wfo s VAL 119 Ca -0.05 1.28 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 1wfo s VAL 119 Cb -0.11 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1wfo s VAL 119 CO -0.08 0.10 0.32 0.42 0.00 0.00 0.00 175.10 175.86 1wfo s THR 120 N -1.65 5.21 -0.04 3.92 -4.23 -0.54 -4.82 115.64 113.49 1wfo s THR 120 Ca 0.47 -0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.62 1wfo s THR 120 Cb -0.15 -3.78 0.13 0.00 1.34 0.00 0.00 72.50 70.03 1wfo s THR 120 CO 0.20 -0.06 1.34 0.28 -0.54 0.00 0.00 174.62 175.84 1wfo s THR 121 N 1.91 0.00 -0.05 3.99 -1.32 -1.16 0.57 115.64 119.57 1wfo s THR 121 Ca 0.10 -0.15 0.13 0.00 -1.21 0.00 0.00 61.69 60.55 1wfo s THR 121 Cb -0.17 -2.09 -0.23 0.00 -1.51 0.00 0.00 72.50 68.50 1wfo s THR 121 CO 0.11 0.00 0.62 -0.62 -2.21 0.00 0.00 174.62 172.52 1wfo n GLU 122 N -0.53 0.64 -1.03 7.08 1.02 -1.26 -4.18 120.64 122.38 1wfo n GLU 122 Ca -0.08 0.28 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 1wfo n GLU 122 Cb 0.63 -1.78 0.16 0.00 -0.02 0.00 0.00 31.44 30.43 1wfo n GLU 122 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1wfo s LYS 123 N -2.59 0.88 -0.02 3.49 2.36 -1.26 -4.66 119.74 117.95 1wfo s LYS 123 Ca -0.05 0.93 -0.02 0.00 -2.55 0.00 0.00 55.97 54.28 1wfo s LYS 123 Cb 0.08 -1.76 0.01 0.00 -1.05 0.00 0.00 37.83 35.11 1wfo s LYS 123 CO 0.82 -2.53 0.04 0.54 1.55 0.00 0.00 175.35 175.77 1wfo n ARG 124 N -4.10 -4.47 -3.41 4.03 1.74 -1.26 -5.05 116.66 104.14 1wfo n ARG 124 Ca 0.07 3.26 -0.03 0.00 -0.77 0.00 0.00 57.85 60.38 1wfo n ARG 124 Cb 0.55 -4.24 -0.05 0.00 -1.02 0.00 0.00 32.46 27.69 1wfo n ARG 124 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wfo s SER 125 N -0.53 -0.64 0.00 0.55 1.04 -1.26 -5.01 113.70 107.84 1wfo s SER 125 Ca -0.05 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1wfo s SER 125 Cb 0.00 1.73 0.00 0.00 0.10 0.00 0.00 66.02 67.85 1wfo s SER 125 CO 0.13 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1wfo n GLY 126 N 5.41 2.89 0.12 7.32 0.00 -1.26 -4.94 105.19 114.72 1wfo n GLY 126 Ca -0.06 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 1wfo n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfo h PRO 127 N 0.00 -0.17 -5.56 1.61 0.13 -1.96 -3.50 132.00 122.55 1wfo h PRO 127 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wfo h PRO 127 Cb 0.00 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.12 1wfo h PRO 127 CO 0.00 0.25 -0.97 0.43 -0.23 0.00 0.00 178.00 177.48 1wfo n SER 128 N -4.87 -5.05 -4.94 1.44 7.64 -1.26 -5.01 113.62 101.57 1wfo n SER 128 Ca -0.07 1.11 -0.19 0.00 1.01 0.00 0.00 58.87 60.74 1wfo n SER 128 Cb 0.25 -3.75 -0.01 0.00 -1.01 0.00 0.00 64.21 59.69 1wfo n SER 128 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfo s SER 129 N -0.80 5.49 0.00 6.43 1.04 -1.26 -5.24 113.70 119.36 1wfo s SER 129 Ca -0.10 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1wfo s SER 129 Cb 0.01 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1wfo s SER 129 CO 0.46 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.72