#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 -3.64 1.61 2.88 -1.26 -5.19 113.62 108.02 1wfo n SER 2 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfo n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1wfo n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfo s SER 3 N 0.00 -0.10 0.00 -3.46 1.04 -1.26 -5.19 113.70 104.74 1wfo s SER 3 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1wfo s SER 3 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wfo s SER 3 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1wfo n GLY 4 N -0.43 1.69 3.62 7.32 0.00 -1.26 -5.19 105.19 110.93 1wfo n GLY 4 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 1wfo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfo s SER 5 N 0.00 -0.02 0.03 1.61 0.15 -1.26 -5.19 113.70 109.02 1wfo s SER 5 Ca 0.00 -0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.36 1wfo s SER 5 Cb 0.00 0.03 0.09 0.00 -1.71 0.00 0.00 66.02 64.43 1wfo s SER 5 CO 0.00 -0.05 0.90 -0.55 1.20 0.00 0.00 173.24 174.74 1wfo s SER 6 N -2.31 -0.32 0.00 5.45 0.15 -1.26 -5.18 113.70 110.23 1wfo s SER 6 Ca 0.12 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1wfo s SER 6 Cb 0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1wfo s SER 6 CO -0.04 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1wfo n GLY 7 N -0.30 3.60 3.15 9.45 0.00 -1.26 -5.14 105.19 114.68 1wfo n GLY 7 Ca -0.08 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.13 1wfo n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfo s ARG 8 N -2.30 0.11 -0.10 1.61 0.52 -1.26 -5.16 118.95 112.37 1wfo s ARG 8 Ca 0.00 0.12 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1wfo s ARG 8 Cb 0.00 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.50 1wfo s ARG 8 CO 0.00 -0.19 -0.05 0.42 0.02 0.00 0.00 175.30 175.50 1wfo s ILE 9 N 2.97 3.86 -0.15 1.52 1.01 -1.26 -5.09 121.20 124.05 1wfo s ILE 9 Ca 0.24 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.18 1wfo s ILE 9 Cb -0.02 -2.63 0.13 0.00 0.01 0.00 0.00 42.46 39.95 1wfo s ILE 9 CO -0.21 0.56 1.08 -0.83 0.00 0.00 0.00 174.94 175.55 1wfo s GLY 10 N -0.37 -0.27 -0.10 6.18 0.00 -1.26 -5.19 107.32 106.32 1wfo s GLY 10 Ca 0.06 1.80 -0.32 0.00 0.00 0.00 0.00 44.72 46.25 1wfo s GLY 10 CO 0.02 0.75 1.15 -0.35 0.00 0.00 0.00 173.10 174.67 1wfo s ASP 11 N -1.70 -0.17 0.00 1.64 -1.08 -1.26 -5.18 116.67 108.93 1wfo s ASP 11 Ca 0.04 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1wfo s ASP 11 Cb -0.01 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 1wfo s ASP 11 CO -0.04 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 175.90 1wfo n GLY 12 N -0.22 4.41 2.73 2.66 0.00 -1.26 -5.11 105.19 108.40 1wfo n GLY 12 Ca -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 1wfo n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfo s SER 13 N 0.00 -0.99 0.00 1.61 0.01 -1.26 -5.14 113.70 107.94 1wfo s SER 13 Ca 0.00 -1.19 -0.30 0.00 1.31 0.00 0.00 55.95 55.77 1wfo s SER 13 Cb 0.00 1.30 -0.04 0.00 0.21 0.00 0.00 66.02 67.49 1wfo s SER 13 CO 0.00 -0.03 1.19 -2.16 0.41 0.00 0.00 173.24 172.65 1wfo s PRO 14 N 0.92 4.40 -0.03 12.44 0.04 -1.26 -4.92 135.00 146.58 1wfo s PRO 14 Ca 0.27 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 1wfo s PRO 14 Cb 0.05 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1wfo s PRO 14 CO -0.07 -0.34 -0.13 0.43 0.04 0.00 0.00 177.00 176.92 1wfo n SER 15 N 4.55 1.15 -1.14 6.66 7.64 -1.26 -5.13 113.62 126.09 1wfo n SER 15 Ca 0.10 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wfo n SER 15 Cb 0.46 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1wfo n SER 15 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1wfo n HIS 16 N -3.61 -3.14 -1.76 1.43 -0.00 -1.26 -4.93 115.22 101.95 1wfo n HIS 16 Ca -0.05 1.68 -0.32 0.00 0.46 0.00 0.00 57.72 59.50 1wfo n HIS 16 Cb 0.20 -2.78 0.03 0.00 -0.12 0.00 0.00 29.99 27.33 1wfo n HIS 16 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1wfo s PRO 17 N -4.69 3.11 -0.20 1.57 0.04 -1.26 -4.98 135.00 128.58 1wfo s PRO 17 Ca 0.00 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1wfo s PRO 17 Cb 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1wfo s PRO 17 CO 0.00 -0.97 1.30 -1.25 0.04 0.00 0.00 177.00 176.12 1wfo s PRO 18 N -4.69 4.12 0.11 0.56 0.04 -1.26 -5.01 135.00 128.86 1wfo s PRO 18 Ca 0.60 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 1wfo s PRO 18 Cb -0.14 -3.81 -0.07 0.00 0.04 0.00 0.00 34.50 30.51 1wfo s PRO 18 CO 0.48 -0.86 0.53 0.42 0.04 0.00 0.00 177.00 177.61 1wfo s ILE 19 N 3.84 4.86 -0.53 0.56 1.01 -1.26 -5.03 121.20 124.65 1wfo s ILE 19 Ca 0.56 0.90 0.05 0.00 0.00 0.00 0.00 60.65 62.16 1wfo s ILE 19 Cb -0.21 -3.76 0.20 0.00 0.01 0.00 0.00 42.46 38.70 1wfo s ILE 19 CO 0.18 0.36 0.49 -0.11 0.00 0.00 0.00 174.94 175.85 1wfo n LEU 20 N 1.14 1.32 0.00 2.97 7.94 -1.26 -4.95 117.00 124.16 1wfo n LEU 20 Ca -0.08 -4.85 0.00 0.00 -1.11 0.00 0.00 56.01 49.98 1wfo n LEU 20 Cb 0.52 0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1wfo n LEU 20 CO 0.42 1.91 0.00 -0.62 -1.11 0.00 0.00 177.39 177.98 1wfo n GLU 21 N 1.98 0.00 -3.30 1.96 1.02 -1.26 -5.11 120.64 115.92 1wfo n GLU 21 Ca 0.25 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.21 1wfo n GLU 21 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.79 1wfo n GLU 21 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1wfo s ARG 22 N 0.00 0.74 0.00 3.49 6.06 -1.26 -5.04 118.95 122.94 1wfo s ARG 22 Ca 0.00 -1.16 0.00 0.00 -2.50 0.00 0.00 55.73 52.07 1wfo s ARG 22 Cb 0.00 -0.81 0.00 0.00 0.06 0.00 0.00 34.95 34.20 1wfo s ARG 22 CO 0.00 -1.25 0.00 2.41 -2.50 0.00 0.00 175.30 173.96 1wfo n THR 23 N 3.80 0.00 -3.78 4.11 -1.04 -1.26 -4.90 114.28 111.21 1wfo n THR 23 Ca 0.16 0.11 -0.37 0.00 -2.04 0.00 0.00 64.05 61.91 1wfo n THR 23 Cb 0.46 -0.35 -0.06 0.00 -1.82 0.00 0.00 70.33 68.56 1wfo n THR 23 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1wfo s LEU 24 N -1.70 4.39 1.11 -4.42 2.01 -1.26 -5.07 118.68 113.73 1wfo s LEU 24 Ca 0.00 0.55 -0.16 0.00 0.01 0.00 0.00 54.13 54.53 1wfo s LEU 24 Cb 0.00 -2.18 0.15 0.00 0.01 0.00 0.00 46.19 44.17 1wfo s LEU 24 CO 0.00 0.36 0.35 0.47 1.01 0.00 0.00 176.35 178.55 1wfo n ASP 25 N 2.13 -2.10 -3.54 2.29 9.92 -1.26 -5.04 116.55 118.96 1wfo n ASP 25 Ca -0.18 -0.07 -0.10 0.00 -0.53 0.00 0.00 54.79 53.91 1wfo n ASP 25 Cb 0.54 -1.08 -0.04 0.00 -0.64 0.00 0.00 41.12 39.90 1wfo n ASP 25 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1wfo s ASP 26 N -2.03 -0.38 0.95 -2.24 1.11 -1.24 -5.09 116.67 107.76 1wfo s ASP 26 Ca 0.60 0.22 -0.14 0.00 0.18 0.00 0.00 52.55 53.40 1wfo s ASP 26 Cb -0.17 0.35 -0.03 0.00 1.07 0.00 0.00 42.92 44.14 1wfo s ASP 26 CO 0.66 -0.49 -0.01 1.33 1.18 0.00 0.00 175.17 177.84 1wfo n VAL 27 N 0.25 0.06 -0.71 -1.27 0.24 -1.26 -4.43 118.33 111.21 1wfo n VAL 27 Ca -0.10 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1wfo n VAL 27 Cb 0.60 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1wfo n VAL 27 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wfo n PRO 28 N -0.20 -0.41 -1.51 7.34 -0.04 -1.25 -4.84 135.00 134.10 1wfo n PRO 28 Ca 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1wfo n PRO 28 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1wfo n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfo n GLY 29 N 3.76 2.50 3.73 0.55 0.00 -1.22 -3.18 105.19 111.33 1wfo n GLY 29 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.28 4.53 -0.48 1.61 0.04 -1.26 -4.13 135.00 133.03 1wfo s PRO 30 Ca 0.05 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1wfo s PRO 30 Cb -0.00 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1wfo s PRO 30 CO 0.03 -0.06 1.45 -1.25 0.04 0.00 0.00 177.00 177.21 1wfo s PRO 31 N 0.19 3.41 0.47 0.56 0.04 -1.26 -4.69 135.00 133.72 1wfo s PRO 31 Ca 0.53 0.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 1wfo s PRO 31 Cb -0.29 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1wfo s PRO 31 CO 0.33 -1.78 0.74 0.00 0.04 0.00 0.00 177.00 176.33 1wfo s MET 32 N 5.29 3.39 0.00 4.56 0.23 -1.26 -4.53 119.30 126.98 1wfo s MET 32 Ca 0.59 -0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.24 1wfo s MET 32 Cb -0.13 -2.44 0.00 0.00 -1.53 0.00 0.00 34.83 30.73 1wfo s MET 32 CO 0.29 -0.21 0.00 0.41 -2.03 0.00 0.00 175.02 173.48 1wfo n GLY 33 N -2.19 0.80 3.45 3.16 0.00 -1.26 -2.59 105.19 106.56 1wfo n GLY 33 Ca 0.00 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.36 4.70 0.14 -0.61 -1.09 -1.26 -3.79 121.20 116.93 1wfo s ILE 34 Ca 0.00 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.11 1wfo s ILE 34 Cb 0.00 -4.42 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1wfo s ILE 34 CO 0.00 -0.99 -0.15 -0.76 -1.23 0.00 0.00 174.94 171.81 1wfo s LEU 35 N 3.09 2.43 -0.48 2.97 2.01 -0.79 -4.99 118.68 122.92 1wfo s LEU 35 Ca 0.19 -0.85 0.03 0.00 0.01 0.00 0.00 54.13 53.51 1wfo s LEU 35 Cb -0.18 -0.62 0.12 0.00 0.01 0.00 0.00 46.19 45.52 1wfo s LEU 35 CO 0.13 -0.13 0.22 -0.36 1.01 0.00 0.00 176.35 177.22 1wfo s PHE 36 N -2.23 3.38 -0.08 0.29 0.08 -1.26 -0.99 117.98 117.17 1wfo s PHE 36 Ca 0.12 -3.05 -0.25 0.00 0.12 0.00 0.00 56.93 53.87 1wfo s PHE 36 Cb -0.04 -2.91 -0.21 0.00 -0.57 0.00 0.00 43.02 39.29 1wfo s PHE 36 CO 0.04 -0.82 0.93 -1.00 -0.10 0.00 0.00 175.22 174.27 1wfo h PRO 37 N 6.92 -0.04 -4.85 0.24 0.13 -1.94 -3.43 132.00 129.03 1wfo h PRO 37 Ca -0.06 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.39 1wfo h PRO 37 Cb 0.94 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 31.73 1wfo h PRO 37 CO 0.65 0.62 -0.76 -2.00 -0.23 0.00 0.00 178.00 176.28 1wfo s GLU 38 N -3.14 2.43 -0.06 0.86 2.12 -1.13 -5.06 118.70 114.72 1wfo s GLU 38 Ca -0.16 -1.24 -0.02 0.00 0.36 0.00 0.00 54.97 53.90 1wfo s GLU 38 Cb -0.01 -3.00 0.04 0.00 0.26 0.00 0.00 34.13 31.42 1wfo s GLU 38 CO 0.61 -0.55 0.07 0.54 -0.54 0.00 0.00 175.26 175.40 1wfo s VAL 39 N 1.20 -0.13 0.00 3.70 0.11 -1.26 0.26 120.40 124.28 1wfo s VAL 39 Ca -0.06 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1wfo s VAL 39 Cb -0.19 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1wfo s VAL 39 CO -0.04 0.13 0.00 0.54 -3.33 0.00 0.00 175.10 172.40 1wfo n ARG 40 N 5.30 2.87 0.00 1.54 1.74 0.49 -4.61 116.66 123.99 1wfo n ARG 40 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 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 -0.16 0.00 0.16 0.55 -2.24 -1.26 -3.29 114.28 108.03 1wfo n THR 41 Ca 0.00 0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 62.08 1wfo n THR 41 Cb 0.00 -0.96 0.12 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.04 1.53 -3.47 4.28 -2.24 -1.23 -4.45 114.28 108.65 1wfo n THR 42 Ca 0.00 -0.68 0.01 0.00 -2.27 0.00 0.00 64.05 61.11 1wfo n THR 42 Cb 0.00 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.12 -1.19 0.27 3.42 1.04 -1.25 -0.26 113.70 115.60 1wfo s SER 43 Ca 0.23 1.30 0.04 0.00 0.48 0.00 0.00 55.95 58.00 1wfo s SER 43 Cb 0.18 2.22 -0.06 0.00 0.10 0.00 0.00 66.02 68.47 1wfo s SER 43 CO 0.05 -0.23 0.02 0.68 0.98 0.00 0.00 173.24 174.75 1wfo s VAL 44 N 2.87 1.11 -0.27 5.02 -7.23 0.18 0.18 120.40 122.27 1wfo s VAL 44 Ca 0.03 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1wfo s VAL 44 Cb -0.13 -2.51 0.14 0.00 0.56 0.00 0.00 36.38 34.44 1wfo s VAL 44 CO -0.19 -0.20 0.39 -0.60 -0.31 0.00 0.00 175.10 174.18 1wfo s ARG 45 N -3.87 0.37 0.41 4.82 3.52 0.73 -1.05 118.95 123.88 1wfo s ARG 45 Ca 0.32 0.32 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 1wfo s ARG 45 Cb 0.07 -0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.02 1wfo s ARG 45 CO 0.12 -0.83 0.39 -0.48 -0.81 0.00 0.00 175.30 173.68 1wfo s LEU 46 N 2.53 3.44 0.06 -0.88 2.34 -1.14 -2.83 118.68 122.19 1wfo s LEU 46 Ca 0.11 -0.69 0.01 0.00 0.06 0.00 0.00 54.13 53.62 1wfo s LEU 46 Cb -0.14 -2.13 -0.03 0.00 -0.56 0.00 0.00 46.19 43.33 1wfo s LEU 46 CO -0.23 -0.64 -0.06 0.27 -1.06 0.00 0.00 176.35 174.63 1wfo s ILE 47 N -2.45 0.49 0.35 1.48 -0.00 -0.16 -2.38 121.20 118.53 1wfo s ILE 47 Ca 0.48 -1.43 0.03 0.00 -0.00 0.00 0.00 60.65 59.73 1wfo s ILE 47 Cb -0.04 -1.03 -0.01 0.00 -0.00 0.00 0.00 42.46 41.38 1wfo s ILE 47 CO 0.28 -0.64 0.40 -1.66 -0.00 0.00 0.00 174.94 173.32 1wfo s TRP 48 N -2.46 1.45 0.13 1.37 -2.14 0.42 -1.88 118.94 115.83 1wfo s TRP 48 Ca -0.02 -1.51 0.01 0.00 2.66 0.00 0.00 56.10 57.24 1wfo s TRP 48 Cb -0.03 -0.38 -0.04 0.00 -3.10 0.00 0.00 33.47 29.92 1wfo s TRP 48 CO -0.03 -1.05 -0.01 -0.65 -2.66 0.00 0.00 176.95 172.55 1wfo s GLN 49 N -3.11 0.92 0.49 3.25 -0.21 -1.07 -4.70 119.66 115.23 1wfo s GLN 49 Ca 0.36 -1.41 -0.20 0.00 0.02 0.00 0.00 55.36 54.12 1wfo s GLN 49 Cb 0.00 -0.09 -0.08 0.00 1.00 0.00 0.00 33.01 33.84 1wfo s GLN 49 CO 0.25 -0.12 1.04 -1.25 -2.12 0.00 0.00 175.29 173.09 1wfo s PRO 50 N -3.92 3.80 -0.16 2.91 0.04 -1.26 -3.98 135.00 132.44 1wfo s PRO 50 Ca 0.18 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1wfo s PRO 50 Cb 0.06 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1wfo s PRO 50 CO -0.01 -0.43 1.27 -1.25 0.04 0.00 0.00 177.00 176.62 1wfo s PRO 51 N -3.24 4.24 0.58 0.56 0.04 -1.26 -4.75 135.00 131.17 1wfo s PRO 51 Ca 0.67 1.68 0.36 0.00 0.04 0.00 0.00 61.00 63.75 1wfo s PRO 51 Cb -0.16 -3.76 1.35 0.00 0.04 0.00 0.00 34.50 31.97 1wfo s PRO 51 CO 0.20 -0.70 1.53 0.00 0.04 0.00 0.00 177.00 178.08 1wfo h ALA 52 N 8.19 3.19 -3.18 8.56 0.00 -1.94 -2.39 119.26 131.69 1wfo h ALA 52 Ca -0.27 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.93 1wfo h ALA 52 Cb 1.11 0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 1wfo h ALA 52 CO 0.96 -1.81 -0.46 0.00 0.00 0.00 0.00 179.25 177.95 1wfo s ALA 53 N -4.67 3.64 0.19 0.00 0.00 -1.26 -4.89 121.76 114.77 1wfo s ALA 53 Ca -0.04 -3.48 0.05 0.00 0.00 0.00 0.00 51.96 48.50 1wfo s ALA 53 Cb 0.20 -2.42 0.09 0.00 0.00 0.00 0.00 23.12 20.99 1wfo s ALA 53 CO 0.66 -2.08 1.45 -1.00 0.00 0.00 0.00 175.76 174.79 1wfo h PRO 54 N 6.36 0.13 -6.15 0.00 0.13 -1.83 -3.22 132.00 127.42 1wfo h PRO 54 Ca 0.02 -0.13 -0.40 0.00 -0.87 0.00 0.00 66.00 64.63 1wfo h PRO 54 Cb 0.87 0.03 -0.24 0.00 0.13 0.00 0.00 31.00 31.79 1wfo h PRO 54 CO 0.73 0.85 -0.57 0.27 -0.23 0.00 0.00 178.00 179.05 1wfo n ASN 55 N -3.69 -1.43 0.00 1.44 0.23 -1.26 -3.74 115.26 106.81 1wfo n ASN 55 Ca -0.02 -0.64 0.00 0.00 -0.53 0.00 0.00 54.58 53.38 1wfo n ASN 55 Cb 0.75 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 1wfo n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wfo n GLY 56 N -0.84 3.60 3.70 4.83 0.00 -1.26 -3.60 105.19 111.62 1wfo n GLY 56 Ca 0.08 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1wfo n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wfo n ILE 57 N -0.07 0.77 -2.76 -0.61 -0.00 -1.26 -4.86 119.36 110.57 1wfo n ILE 57 Ca 0.00 -0.19 -0.42 0.00 -0.00 0.00 0.00 62.75 62.14 1wfo n ILE 57 Cb 0.00 -1.73 -0.03 0.00 -0.00 0.00 0.00 39.64 37.88 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1wfo s ILE 58 N 0.21 4.84 -0.08 1.39 -1.09 -1.26 -4.42 121.20 120.78 1wfo s ILE 58 Ca 0.68 1.98 0.21 0.00 -2.23 0.00 0.00 60.65 61.30 1wfo s ILE 58 Cb -0.58 -4.28 -0.28 0.00 -1.58 0.00 0.00 42.46 35.73 1wfo s ILE 58 CO 0.46 0.20 0.47 0.18 -1.23 0.00 0.00 174.94 175.01 1wfo n LEU 59 N 3.71 0.11 0.00 2.97 4.32 0.58 -4.68 117.00 124.01 1wfo n LEU 59 Ca 0.04 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1wfo n LEU 59 Cb 0.51 0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1wfo n LEU 59 CO 0.51 0.08 0.00 0.00 -1.22 0.00 0.00 177.39 176.77 1wfo n ALA 60 N -2.35 0.00 -2.19 -1.18 0.00 -1.16 -3.52 120.51 110.10 1wfo n ALA 60 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1wfo n ALA 60 Cb 0.69 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.83 0.97 -0.03 0.00 1.51 0.54 0.63 117.35 118.15 1wfo s TYR 61 Ca 0.00 -1.28 0.02 0.00 -1.01 0.00 0.00 57.07 54.80 1wfo s TYR 61 Cb 0.00 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 1wfo s TYR 61 CO 0.00 -0.58 -0.09 -1.14 -1.11 0.00 0.00 175.55 172.63 1wfo s GLN 62 N -4.09 0.95 -0.25 -0.62 0.74 0.13 0.19 119.66 116.70 1wfo s GLN 62 Ca 0.30 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.43 1wfo s GLN 62 Cb 0.07 -0.89 0.07 0.00 1.10 0.00 0.00 33.01 33.36 1wfo s GLN 62 CO 0.06 0.10 -0.03 0.42 -0.55 0.00 0.00 175.29 175.29 1wfo s ILE 63 N 0.25 1.49 -0.15 -2.34 1.01 0.13 -0.69 121.20 120.90 1wfo s ILE 63 Ca -0.04 -1.31 -0.06 0.00 0.00 0.00 0.00 60.65 59.24 1wfo s ILE 63 Cb -0.09 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1wfo s ILE 63 CO 0.01 -0.20 0.06 0.42 0.00 0.00 0.00 174.94 175.22 1wfo s THR 64 N 1.39 4.76 -0.04 2.92 -4.23 -0.15 -0.69 115.64 119.61 1wfo s THR 64 Ca -0.03 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1wfo s THR 64 Cb -0.19 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.56 1wfo s THR 64 CO -0.08 0.52 -0.09 -1.38 -0.54 0.00 0.00 174.62 173.05 1wfo s HIS 65 N -0.13 1.03 -0.28 3.99 -3.43 -1.25 0.06 115.29 115.29 1wfo s HIS 65 Ca 0.07 -0.29 -0.19 0.00 -0.80 0.00 0.00 55.06 53.84 1wfo s HIS 65 Cb -0.12 -0.76 0.09 0.00 -1.43 0.00 0.00 32.58 30.36 1wfo s HIS 65 CO 0.01 -0.15 0.79 -0.98 -2.00 0.00 0.00 174.74 172.41 1wfo s ARG 66 N 0.38 0.66 -0.16 -0.38 1.70 -1.20 -3.94 118.95 116.01 1wfo s ARG 66 Ca -0.07 1.00 -0.39 0.00 -0.47 0.00 0.00 55.73 55.81 1wfo s ARG 66 Cb -0.11 0.21 -0.18 0.00 -0.57 0.00 0.00 34.95 34.30 1wfo s ARG 66 CO 0.01 -0.11 1.15 1.28 -1.08 0.00 0.00 175.30 176.55 1wfo n LEU 67 N 3.56 0.39 0.00 -1.89 7.99 -1.26 -2.23 117.00 123.56 1wfo n LEU 67 Ca -0.17 1.07 0.08 0.00 -0.01 0.00 0.00 56.01 56.98 1wfo n LEU 67 Cb 0.57 -0.83 0.41 0.00 -0.11 0.00 0.00 43.42 43.46 1wfo n LEU 67 CO 0.00 -1.40 0.73 -3.20 -1.51 0.00 0.00 177.39 172.01 1wfo n ASN 68 N 2.19 0.00 -2.95 -1.43 5.15 0.33 -2.91 115.26 115.64 1wfo n ASN 68 Ca 0.22 0.05 -0.15 0.00 -0.60 0.00 0.00 54.58 54.09 1wfo n ASN 68 Cb 0.03 -0.28 -0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1wfo n ASN 68 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wfo n THR 69 N -1.28 -0.31 0.00 -0.44 -2.24 -1.26 -4.89 114.28 103.86 1wfo n THR 69 Ca 0.08 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.20 1wfo n THR 69 Cb 0.13 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1wfo n THR 69 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wfo n THR 70 N 1.50 0.00 0.00 4.28 5.66 -1.24 -5.04 114.28 119.44 1wfo n THR 70 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1wfo n THR 70 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1wfo n THR 70 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1wfo n THR 71 N 0.00 0.00 -1.99 1.09 5.66 -1.15 -4.98 114.28 112.92 1wfo n THR 71 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wfo n THR 71 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wfo n ALA 72 N 1.18 0.00 0.05 1.79 0.00 -1.26 -4.85 120.51 117.42 1wfo n ALA 72 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1wfo n ALA 72 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 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 0.00 0.01 -1.33 0.00 -1.07 -2.07 -3.44 115.58 107.68 1wfo h ASN 73 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1wfo h ASN 73 Cb 0.00 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1wfo h ASN 73 CO 0.00 0.01 0.04 0.35 0.07 0.00 0.00 177.43 177.90 1wfo n THR 74 N -4.41 0.00 -4.60 6.14 -2.24 -1.26 -5.17 114.28 102.74 1wfo n THR 74 Ca 0.07 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1wfo n THR 74 Cb 0.50 0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.73 1wfo n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo s ALA 75 N -1.18 1.20 -1.15 6.98 0.00 -1.26 -5.03 121.76 121.31 1wfo s ALA 75 Ca 0.03 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 1wfo s ALA 75 Cb -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.73 1wfo s ALA 75 CO 0.02 0.18 1.57 0.99 0.00 0.00 0.00 175.76 178.52 1wfo s THR 76 N 0.25 4.08 0.45 0.00 2.01 -1.25 -4.94 115.64 116.23 1wfo s THR 76 Ca -0.06 -1.37 -0.07 0.00 0.31 0.00 0.00 61.69 60.50 1wfo s THR 76 Cb -0.11 -5.11 -0.05 0.00 0.01 0.00 0.00 72.50 67.24 1wfo s THR 76 CO 0.02 -1.95 0.78 0.68 -0.69 0.00 0.00 174.62 173.45 1wfo s VAL 77 N 4.45 4.87 -0.02 3.82 -7.23 -1.26 -4.03 120.40 120.99 1wfo s VAL 77 Ca 0.49 0.35 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 1wfo s VAL 77 Cb 0.02 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.14 1wfo s VAL 77 CO -0.02 -0.73 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.28 1wfo s GLU 78 N -4.41 0.76 -0.00 4.82 2.12 0.13 -4.96 118.70 117.16 1wfo s GLU 78 Ca 0.49 -0.22 -0.18 0.00 0.36 0.00 0.00 54.97 55.41 1wfo s GLU 78 Cb -0.10 -0.74 -0.06 0.00 0.26 0.00 0.00 34.13 33.49 1wfo s GLU 78 CO 0.40 0.07 0.50 0.08 -0.54 0.00 0.00 175.26 175.78 1wfo s VAL 79 N 0.25 4.95 0.43 3.70 1.01 -1.26 0.18 120.40 129.67 1wfo s VAL 79 Ca -0.03 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.05 1wfo s VAL 79 Cb -0.08 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1wfo s VAL 79 CO 0.00 0.49 0.03 -0.76 0.00 0.00 0.00 175.10 174.86 1wfo s LEU 80 N -0.57 2.77 0.82 3.92 1.43 0.49 -4.94 118.68 122.60 1wfo s LEU 80 Ca 0.27 -1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1wfo s LEU 80 Cb -0.17 -0.92 0.08 0.00 0.03 0.00 0.00 46.19 45.20 1wfo s LEU 80 CO 0.15 -0.56 1.14 0.00 0.23 0.00 0.00 176.35 177.31 1wfo s ALA 81 N -2.74 2.39 -1.09 4.21 0.00 -1.26 -0.34 121.76 122.94 1wfo s ALA 81 Ca 0.29 -0.49 0.22 0.00 0.00 0.00 0.00 51.96 51.98 1wfo s ALA 81 Cb 0.07 -3.02 0.97 0.00 0.00 0.00 0.00 23.12 21.15 1wfo s ALA 81 CO 0.15 -1.75 1.71 -0.35 0.00 0.00 0.00 175.76 175.52 1wfo n PRO 82 N -3.40 0.07 -1.05 0.00 -0.04 -1.23 -2.63 135.00 126.72 1wfo n PRO 82 Ca 0.07 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 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 -1.45 3.25 -4.65 3.54 2.88 -1.26 -4.85 113.62 111.08 1wfo n SER 83 Ca 0.06 -3.80 -0.37 0.00 -1.33 0.00 0.00 58.87 53.44 1wfo n SER 83 Cb 0.24 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.36 3.59 -0.12 -1.46 0.00 -1.08 -4.94 121.76 114.39 1wfo s ALA 84 Ca 0.47 -0.88 0.16 0.00 0.00 0.00 0.00 51.96 51.72 1wfo s ALA 84 Cb 0.42 -2.39 -0.24 0.00 0.00 0.00 0.00 23.12 20.91 1wfo s ALA 84 CO -0.00 -0.27 0.17 -2.13 0.00 0.00 0.00 175.76 173.53 1wfo n ARG 85 N 4.45 0.98 -3.97 0.00 0.63 -1.26 -4.96 116.66 112.53 1wfo n ARG 85 Ca -0.14 -0.06 -0.09 0.00 -0.92 0.00 0.00 57.85 56.64 1wfo n ARG 85 Cb 0.52 -1.44 -0.08 0.00 0.45 0.00 0.00 32.46 31.90 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1wfo s GLN 86 N -2.70 0.88 0.05 -0.14 -2.07 -1.26 -0.44 119.66 113.98 1wfo s GLN 86 Ca -0.08 -1.13 -0.01 0.00 -1.82 0.00 0.00 55.36 52.33 1wfo s GLN 86 Cb 0.07 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1wfo s GLN 86 CO 0.73 -0.27 -0.03 -0.47 -1.32 0.00 0.00 175.29 173.93 1wfo s TYR 87 N -3.92 0.52 -0.16 9.60 5.04 -1.00 -5.02 117.35 122.40 1wfo s TYR 87 Ca 0.11 -0.99 -0.00 0.00 -2.44 0.00 0.00 57.07 53.75 1wfo s TYR 87 Cb 0.05 -0.38 -0.00 0.00 0.35 0.00 0.00 41.96 41.99 1wfo s TYR 87 CO -0.07 -0.34 -0.14 0.99 -1.34 0.00 0.00 175.55 174.66 1wfo s THR 88 N -3.58 2.78 -0.31 4.34 2.01 -1.26 -2.89 115.64 116.73 1wfo s THR 88 Ca 0.04 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1wfo s THR 88 Cb 0.05 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1wfo s THR 88 CO -0.08 0.50 0.13 0.00 -0.69 0.00 0.00 174.62 174.48 1wfo s ALA 89 N 0.91 3.20 0.15 7.40 0.00 -0.22 -4.98 121.76 128.21 1wfo s ALA 89 Ca -0.03 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.55 1wfo s ALA 89 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1wfo s ALA 89 CO -0.01 -0.98 -0.10 0.95 0.00 0.00 0.00 175.76 175.61 1wfo s THR 90 N 1.56 3.24 -0.27 0.00 -4.23 -1.26 -0.64 115.64 114.03 1wfo s THR 90 Ca 0.03 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1wfo s THR 90 Cb -0.17 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 1wfo s THR 90 CO 0.05 -0.02 0.24 0.61 -0.54 0.00 0.00 174.62 174.96 1wfo n GLY 91 N 0.32 0.36 3.45 3.99 0.00 0.64 -4.95 105.19 109.00 1wfo n GLY 91 Ca -0.12 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.50 2.54 -0.14 0.99 1.43 -1.19 -5.02 118.68 113.78 1wfo s LEU 92 Ca 0.09 -0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 52.15 1wfo s LEU 92 Cb -0.01 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1wfo s LEU 92 CO 0.19 0.13 0.86 -0.75 0.23 0.00 0.00 176.35 177.01 1wfo s LYS 93 N -2.60 4.35 0.73 1.70 2.20 -1.26 -3.57 119.74 121.30 1wfo s LYS 93 Ca 0.21 1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 56.81 1wfo s LYS 93 Cb -0.08 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1wfo s LYS 93 CO 0.10 -0.27 1.07 -1.25 -0.36 0.00 0.00 175.35 174.65 1wfo s PRO 94 N 1.91 2.62 -1.25 4.03 0.04 -1.26 -3.89 135.00 137.21 1wfo s PRO 94 Ca 0.41 0.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.23 1wfo s PRO 94 Cb -0.17 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wfo s PRO 94 CO 0.15 -1.29 0.86 0.39 0.04 0.00 0.00 177.00 177.15 1wfo n GLU 95 N -3.24 -6.03 -3.15 4.56 1.02 0.99 -4.96 120.64 109.83 1wfo n GLU 95 Ca 0.07 0.75 -0.10 0.00 -0.02 0.00 0.00 57.16 57.86 1wfo n GLU 95 Cb 0.54 -5.44 -0.03 0.00 -0.02 0.00 0.00 31.44 26.50 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 -2.27 -0.71 -4.09 1.62 7.64 -1.25 -4.98 113.62 109.58 1wfo n SER 96 Ca -0.03 -2.22 -0.28 0.00 1.01 0.00 0.00 58.87 57.35 1wfo n SER 96 Cb 0.57 1.40 -0.17 0.00 -1.01 0.00 0.00 64.21 65.00 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 -2.72 1.48 -0.14 0.44 1.01 -1.26 -1.62 120.40 117.59 1wfo s VAL 97 Ca 0.20 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1wfo s VAL 97 Cb -0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1wfo s VAL 97 CO 0.14 0.43 -0.13 -0.31 0.00 0.00 0.00 175.10 175.23 1wfo s TYR 98 N 0.61 2.81 -0.43 5.22 1.51 -0.34 0.12 117.35 126.85 1wfo s TYR 98 Ca -0.15 -0.77 -0.22 0.00 -1.01 0.00 0.00 57.07 54.92 1wfo s TYR 98 Cb -0.16 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1wfo s TYR 98 CO 0.05 -0.31 0.71 -1.17 -1.11 0.00 0.00 175.55 173.72 1wfo s LEU 99 N 0.55 4.36 -0.39 -1.29 1.98 -0.94 -0.78 118.68 122.17 1wfo s LEU 99 Ca -0.08 -0.17 -0.18 0.00 -2.89 0.00 0.00 54.13 50.80 1wfo s LEU 99 Cb -0.16 -2.84 0.01 0.00 0.66 0.00 0.00 46.19 43.86 1wfo s LEU 99 CO 0.04 -0.82 0.53 -0.36 -1.89 0.00 0.00 176.35 173.84 1wfo s PHE 100 N 3.02 3.15 -0.34 5.38 0.40 0.49 -3.27 117.98 126.81 1wfo s PHE 100 Ca 0.26 0.00 -0.10 0.00 -0.60 0.00 0.00 56.93 56.49 1wfo s PHE 100 Cb -0.13 -3.01 0.01 0.00 0.51 0.00 0.00 43.02 40.39 1wfo s PHE 100 CO 0.20 -0.65 0.18 0.50 0.70 0.00 0.00 175.22 176.16 1wfo s ARG 101 N 2.44 3.08 -0.12 0.44 3.52 0.11 0.32 118.95 128.74 1wfo s ARG 101 Ca 0.18 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 1wfo s ARG 101 Cb -0.15 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1wfo s ARG 101 CO 0.15 -0.56 0.17 0.42 -0.81 0.00 0.00 175.30 174.66 1wfo s ILE 102 N 1.59 5.44 0.10 4.11 1.01 0.89 -0.97 121.20 133.37 1wfo s ILE 102 Ca 0.03 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.86 1wfo s ILE 102 Cb -0.18 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1wfo s ILE 102 CO 0.07 0.59 0.24 -0.89 0.00 0.00 0.00 174.94 174.94 1wfo s THR 103 N -0.84 0.12 0.15 2.92 2.01 0.13 0.01 115.64 120.16 1wfo s THR 103 Ca 0.15 -1.08 0.09 0.00 0.31 0.00 0.00 61.69 61.16 1wfo s THR 103 Cb -0.12 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1wfo s THR 103 CO 0.04 -0.56 -0.14 0.00 -0.69 0.00 0.00 174.62 173.27 1wfo s ALA 104 N -3.86 2.81 -0.18 7.40 0.00 -1.26 0.20 121.76 126.88 1wfo s ALA 104 Ca 0.05 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 1wfo s ALA 104 Cb 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1wfo s ALA 104 CO -0.10 0.53 -0.10 -1.14 0.00 0.00 0.00 175.76 174.94 1wfo s GLN 105 N -2.49 3.31 0.00 0.00 0.74 0.21 -3.47 119.66 117.96 1wfo s GLN 105 Ca 0.21 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1wfo s GLN 105 Cb -0.10 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.23 1wfo s GLN 105 CO 0.13 -0.04 0.00 0.25 -0.55 0.00 0.00 175.29 175.08 1wfo n THR 106 N 4.26 0.00 1.89 -0.34 -2.24 0.19 0.22 114.28 118.25 1wfo n THR 106 Ca -0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1wfo n THR 106 Cb 0.51 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.94 -0.06 -0.78 1.85 -1.26 -2.87 116.66 114.48 1wfo n ARG 107 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 1wfo n ARG 107 Cb 0.00 -1.41 -0.09 0.00 -1.05 0.00 0.00 32.46 29.91 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 -0.91 1.85 0.00 2.89 4.76 -1.26 -5.08 118.16 120.40 1wfo n LYS 108 Ca 0.19 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1wfo n LYS 108 Cb 0.09 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 2.35 0.43 3.20 0.72 0.00 -1.14 -4.92 105.19 105.83 1wfo n GLY 109 Ca -0.20 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.13 3.16 0.00 1.61 0.52 -1.26 -0.64 118.94 120.20 1wfo s TRP 110 Ca 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 56.10 54.48 1wfo s TRP 110 Cb 0.00 -2.10 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 1wfo s TRP 110 CO 0.00 -0.75 0.00 0.41 0.02 0.00 0.00 176.95 176.63 1wfo n GLY 111 N 4.67 0.11 3.20 0.98 0.00 -1.23 -4.98 105.19 107.94 1wfo n GLY 111 Ca -0.15 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1wfo n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfo n GLU 112 N 0.00 -0.78 -3.82 1.61 4.71 -1.19 -4.80 120.64 116.38 1wfo n GLU 112 Ca 0.00 -0.21 -0.13 0.00 -0.01 0.00 0.00 57.16 56.80 1wfo n GLU 112 Cb 0.00 -1.47 -0.15 0.00 -1.01 0.00 0.00 31.44 28.81 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wfo s ALA 113 N -2.18 -0.00 -0.28 0.62 0.00 -1.26 -4.39 121.76 114.27 1wfo s ALA 113 Ca 0.49 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 1wfo s ALA 113 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1wfo s ALA 113 CO 0.68 -0.06 0.42 0.00 0.00 0.00 0.00 175.76 176.81 1wfo s ALA 114 N 0.55 3.55 -0.21 0.00 0.00 0.10 -4.82 121.76 120.93 1wfo s ALA 114 Ca -0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 1wfo s ALA 114 Cb -0.07 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1wfo s ALA 114 CO -0.02 -0.79 0.25 -1.21 0.00 0.00 0.00 175.76 173.99 1wfo s GLU 115 N 2.17 4.14 -0.05 0.00 2.02 -1.26 -0.08 118.70 125.64 1wfo s GLU 115 Ca 0.17 -0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.09 1wfo s GLU 115 Cb -0.16 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.58 1wfo s GLU 115 CO 0.10 0.07 -0.03 0.00 0.02 0.00 0.00 175.26 175.42 1wfo s ALA 116 N 1.01 0.60 0.01 5.21 0.00 0.15 -4.94 121.76 123.81 1wfo s ALA 116 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1wfo s ALA 116 Cb -0.14 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 1wfo s ALA 116 CO 0.05 -0.10 0.39 -0.51 0.00 0.00 0.00 175.76 175.59 1wfo s LEU 117 N 1.11 4.44 -0.12 0.00 1.43 -1.26 0.18 118.68 124.46 1wfo s LEU 117 Ca -0.08 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 1wfo s LEU 117 Cb -0.14 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1wfo s LEU 117 CO -0.01 0.29 0.25 0.54 0.23 0.00 0.00 176.35 177.65 1wfo s VAL 118 N -1.16 -0.36 0.32 -1.59 0.11 0.04 -4.95 120.40 112.81 1wfo s VAL 118 Ca 0.26 0.27 -0.20 0.00 -2.93 0.00 0.00 61.98 59.38 1wfo s VAL 118 Cb -0.16 -0.42 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1wfo s VAL 118 CO 0.14 0.11 0.83 -0.69 -3.33 0.00 0.00 175.10 172.16 1wfo s VAL 119 N 2.27 4.48 -0.32 2.04 1.01 -1.26 -1.20 120.40 127.41 1wfo s VAL 119 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 1wfo s VAL 119 Cb -0.12 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1wfo s VAL 119 CO -0.08 -0.04 0.29 0.42 0.00 0.00 0.00 175.10 175.69 1wfo s THR 120 N -1.82 5.24 -0.06 3.92 -4.23 -0.64 -4.85 115.64 113.21 1wfo s THR 120 Ca 0.52 0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.74 1wfo s THR 120 Cb -0.14 -3.72 0.13 0.00 1.34 0.00 0.00 72.50 70.12 1wfo s THR 120 CO 0.19 0.03 1.37 0.28 -0.54 0.00 0.00 174.62 175.94 1wfo s THR 121 N 1.87 0.00 -0.19 3.99 -1.32 -1.21 -0.01 115.64 118.77 1wfo s THR 121 Ca 0.09 -0.11 0.22 0.00 -1.21 0.00 0.00 61.69 60.68 1wfo s THR 121 Cb -0.17 -2.14 -0.07 0.00 -1.51 0.00 0.00 72.50 68.61 1wfo s THR 121 CO 0.11 0.00 0.92 -0.62 -2.21 0.00 0.00 174.62 172.82 1wfo n GLU 122 N -0.56 0.62 -2.16 7.08 1.02 -1.26 -4.20 120.64 121.17 1wfo n GLU 122 Ca -0.07 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1wfo n GLU 122 Cb 0.63 -1.77 0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1wfo n GLU 122 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfo s LYS 123 N -3.34 3.17 0.15 3.49 1.02 -1.26 -5.09 119.74 117.87 1wfo s LYS 123 Ca -0.02 0.34 0.06 0.00 0.02 0.00 0.00 55.97 56.37 1wfo s LYS 123 Cb 0.10 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1wfo s LYS 123 CO 0.81 -0.68 -0.13 0.50 -0.92 0.00 0.00 175.35 174.93 1wfo s ARG 124 N -5.10 1.12 0.29 1.68 3.52 -1.26 -5.08 118.95 114.11 1wfo s ARG 124 Ca 0.54 -1.38 0.02 0.00 -0.13 0.00 0.00 55.73 54.79 1wfo s ARG 124 Cb -0.11 -0.91 -0.04 0.00 -1.56 0.00 0.00 34.95 32.33 1wfo s ARG 124 CO 0.49 0.16 0.12 0.45 -0.81 0.00 0.00 175.30 175.71 1wfo s SER 125 N -2.83 1.45 0.03 -2.12 0.15 -1.26 -5.18 113.70 103.94 1wfo s SER 125 Ca 0.14 -1.47 -0.22 0.00 0.70 0.00 0.00 55.95 55.10 1wfo s SER 125 Cb -0.02 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.60 1wfo s SER 125 CO 0.03 -0.80 0.51 -0.83 1.20 0.00 0.00 173.24 173.35 1wfo s GLY 126 N -3.36 -0.40 0.29 9.45 0.00 -1.26 -5.15 107.32 106.89 1wfo s GLY 126 Ca 0.36 0.62 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 1wfo s GLY 126 CO 0.15 0.33 1.07 2.56 0.00 0.00 0.00 173.10 177.22 1wfo s PRO 127 N -2.21 4.60 -0.45 2.90 0.04 -1.26 -5.01 135.00 133.61 1wfo s PRO 127 Ca -0.07 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.78 1wfo s PRO 127 Cb -0.01 -3.12 0.18 0.00 0.04 0.00 0.00 34.50 31.60 1wfo s PRO 127 CO 0.00 0.20 0.63 -1.12 0.04 0.00 0.00 177.00 176.76 1wfo s SER 128 N -1.00 -1.14 0.00 6.66 0.01 -1.26 -4.98 113.70 111.98 1wfo s SER 128 Ca 0.46 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1wfo s SER 128 Cb -0.30 1.72 0.00 0.00 0.21 0.00 0.00 66.02 67.65 1wfo s SER 128 CO 0.38 -0.13 0.00 -0.24 0.41 0.00 0.00 173.24 173.66 1wfo n SER 129 N 3.76 0.00 0.00 2.44 2.88 -1.26 -5.36 113.62 116.08 1wfo n SER 129 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1wfo n SER 129 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42