#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 -3.61 1.61 2.88 -1.26 -5.19 113.62 108.05 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 -0.08 0.00 -3.46 1.04 -1.26 -5.18 113.70 104.76 1wfo s SER 3 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1wfo s SER 3 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wfo s SER 3 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1wfo n GLY 4 N -0.37 4.32 3.22 7.32 0.00 -1.26 -5.17 105.19 113.26 1wfo n GLY 4 Ca -0.06 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.51 1wfo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfo s SER 5 N 0.00 -0.23 -0.30 1.61 1.04 -1.26 -5.14 113.70 109.42 1wfo s SER 5 Ca 0.00 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.54 1wfo s SER 5 Cb 0.00 1.24 0.18 0.00 0.10 0.00 0.00 66.02 67.54 1wfo s SER 5 CO 0.00 -0.04 1.16 -0.55 0.98 0.00 0.00 173.24 174.78 1wfo s SER 6 N 2.36 -0.20 -0.30 7.02 0.15 -1.26 -5.14 113.70 116.34 1wfo s SER 6 Ca -0.02 0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.64 1wfo s SER 6 Cb -0.04 1.15 0.19 0.00 -1.71 0.00 0.00 66.02 65.60 1wfo s SER 6 CO -0.15 -0.04 0.92 -0.83 1.20 0.00 0.00 173.24 174.35 1wfo s GLY 7 N 2.98 -0.94 -0.34 9.45 0.00 -1.26 -5.12 107.32 112.09 1wfo s GLY 7 Ca 0.09 1.93 0.02 0.00 0.00 0.00 0.00 44.72 46.76 1wfo s GLY 7 CO -0.14 3.94 0.35 -1.60 0.00 0.00 0.00 173.10 175.65 1wfo s ARG 8 N 2.92 0.52 0.27 2.90 3.52 -1.26 -5.14 118.95 122.69 1wfo s ARG 8 Ca 0.20 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.28 1wfo s ARG 8 Cb -0.05 -0.69 -0.06 0.00 -1.56 0.00 0.00 34.95 32.59 1wfo s ARG 8 CO -0.22 -1.13 -0.04 0.96 -0.81 0.00 0.00 175.30 174.06 1wfo s ILE 9 N 1.79 1.50 0.00 4.11 -4.36 -1.26 -5.05 121.20 117.94 1wfo s ILE 9 Ca 0.14 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1wfo s ILE 9 Cb -0.15 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1wfo s ILE 9 CO -0.15 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1wfo n GLY 10 N -0.56 1.15 0.00 6.27 0.00 -1.26 -5.17 105.19 105.61 1wfo n GLY 10 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1wfo n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wfo n ASP 11 N 0.00 0.00 -0.74 1.61 2.03 -1.26 -5.08 116.55 113.10 1wfo n ASP 11 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wfo n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1wfo n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfo n GLY 12 N -0.12 0.52 2.77 0.27 0.00 -1.26 -5.10 105.19 102.27 1wfo n GLY 12 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.54 1wfo n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfo s SER 13 N -2.19 -0.06 -0.08 1.61 0.15 -1.26 -5.06 113.70 106.81 1wfo s SER 13 Ca 0.00 -0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.38 1wfo s SER 13 Cb 0.00 0.27 -0.20 0.00 -1.71 0.00 0.00 66.02 64.38 1wfo s SER 13 CO 0.00 -0.01 0.90 1.55 1.20 0.00 0.00 173.24 176.88 1wfo h PRO 14 N 5.47 -0.06 -4.17 5.44 0.13 -2.06 -3.50 132.00 133.25 1wfo h PRO 14 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wfo h PRO 14 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wfo h PRO 14 CO -0.12 0.57 -0.84 0.45 -0.23 0.00 0.00 178.00 177.83 1wfo n SER 15 N -4.78 -8.35 -4.31 1.44 2.88 -1.26 -5.05 113.62 94.19 1wfo n SER 15 Ca -0.08 1.44 -0.22 0.00 -1.33 0.00 0.00 58.87 58.68 1wfo n SER 15 Cb 0.32 -4.60 -0.12 0.00 -0.75 0.00 0.00 64.21 59.07 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 -0.49 1.79 0.58 0.66 -3.43 -1.26 -5.14 115.29 108.00 1wfo s HIS 16 Ca 0.00 -0.45 -0.16 0.00 -0.80 0.00 0.00 55.06 53.65 1wfo s HIS 16 Cb 0.00 -0.93 -0.04 0.00 -1.43 0.00 0.00 32.58 30.18 1wfo s HIS 16 CO 0.00 0.27 1.05 -1.25 -2.00 0.00 0.00 174.74 172.81 1wfo s PRO 17 N -2.43 3.42 -0.24 -0.38 0.04 -1.26 -4.98 135.00 129.17 1wfo s PRO 17 Ca 0.12 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 1wfo s PRO 17 Cb -0.07 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wfo s PRO 17 CO 0.05 -0.73 1.32 -1.25 0.04 0.00 0.00 177.00 176.44 1wfo s PRO 18 N -4.04 4.03 0.94 0.56 0.04 -1.26 -5.00 135.00 130.27 1wfo s PRO 18 Ca 0.63 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1wfo s PRO 18 Cb -0.15 -3.85 0.15 0.00 0.04 0.00 0.00 34.50 30.69 1wfo s PRO 18 CO 0.35 -0.97 1.09 0.42 0.04 0.00 0.00 177.00 177.94 1wfo s ILE 19 N 4.09 2.48 0.00 0.56 1.09 -1.26 -5.04 121.20 123.13 1wfo s ILE 19 Ca 0.57 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 60.28 1wfo s ILE 19 Cb -0.20 -2.46 0.00 0.00 -1.06 0.00 0.00 42.46 38.74 1wfo s ILE 19 CO 0.20 -0.21 0.00 -0.11 -0.10 0.00 0.00 174.94 174.73 1wfo n LEU 20 N -4.11 0.00 -1.21 2.97 7.94 -1.26 -4.98 117.00 116.35 1wfo n LEU 20 Ca 0.08 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.14 1wfo n LEU 20 Cb 0.54 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 1wfo n LEU 20 CO 0.54 0.00 -0.25 1.21 -1.11 0.00 0.00 177.39 177.78 1wfo n GLU 21 N 0.00 -2.47 -1.50 1.96 2.13 -1.26 -4.85 120.64 114.64 1wfo n GLU 21 Ca 0.00 1.67 -0.16 0.00 0.66 0.00 0.00 57.16 59.33 1wfo n GLU 21 Cb 0.00 -3.00 -0.07 0.00 0.27 0.00 0.00 31.44 28.64 1wfo n GLU 21 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1wfo n ARG 22 N -3.77 -1.14 -3.16 5.31 0.63 -1.26 -4.93 116.66 108.34 1wfo n ARG 22 Ca 0.00 1.06 -0.45 0.00 -0.92 0.00 0.00 57.85 57.54 1wfo n ARG 22 Cb 0.55 -5.26 -0.04 0.00 0.45 0.00 0.00 32.46 28.16 1wfo n ARG 22 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wfo s THR 23 N -2.61 5.00 0.00 5.15 -4.23 -1.26 -4.25 115.64 113.44 1wfo s THR 23 Ca 0.00 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1wfo s THR 23 Cb 0.00 -4.50 0.00 0.00 1.34 0.00 0.00 72.50 69.34 1wfo s THR 23 CO 0.00 -1.12 0.00 -0.11 -0.54 0.00 0.00 174.62 172.85 1wfo n LEU 24 N 5.79 0.00 -4.22 4.79 7.94 -1.26 -4.91 117.00 125.13 1wfo n LEU 24 Ca -0.02 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.46 1wfo n LEU 24 Cb 0.44 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.32 1wfo n LEU 24 CO 0.53 -0.42 0.11 1.51 -1.11 0.00 0.00 177.39 178.01 1wfo s ASP 25 N -0.99 5.91 0.00 1.96 -4.77 -1.26 -4.21 116.67 113.30 1wfo s ASP 25 Ca 0.00 -2.28 0.00 0.00 -3.30 0.00 0.00 52.55 46.97 1wfo s ASP 25 Cb 0.00 -2.05 0.00 0.00 -1.09 0.00 0.00 42.92 39.78 1wfo s ASP 25 CO 0.00 -0.61 0.00 -0.90 0.70 0.00 0.00 175.17 174.36 1wfo n ASP 26 N 4.42 0.00 -4.71 2.11 5.68 -1.22 -5.11 116.55 117.72 1wfo n ASP 26 Ca -0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 1wfo n ASP 26 Cb 0.41 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.53 1wfo n ASP 26 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1wfo s VAL 27 N -2.00 2.63 0.66 2.12 -7.23 -1.26 -4.20 120.40 111.12 1wfo s VAL 27 Ca 0.00 0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.26 1wfo s VAL 27 Cb 0.00 -2.45 0.16 0.00 0.56 0.00 0.00 36.38 34.65 1wfo s VAL 27 CO 0.00 -0.27 0.73 -0.81 -0.31 0.00 0.00 175.10 174.44 1wfo n PRO 28 N -3.94 -1.53 -0.73 4.82 -0.04 -1.23 -4.82 135.00 127.53 1wfo n PRO 28 Ca 0.10 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1wfo n PRO 28 Cb 0.53 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.04 2.43 3.73 0.55 0.00 -1.23 -3.36 105.19 106.26 1wfo n GLY 29 Ca 0.10 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.31 4.53 -0.45 1.61 0.04 -1.26 -4.06 135.00 135.10 1wfo s PRO 30 Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1wfo s PRO 30 Cb 0.00 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1wfo s PRO 30 CO 0.00 -0.05 1.44 -1.25 0.04 0.00 0.00 177.00 177.17 1wfo s PRO 31 N 0.15 3.48 0.46 0.56 0.04 -1.26 -4.72 135.00 133.71 1wfo s PRO 31 Ca 0.53 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1wfo s PRO 31 Cb -0.29 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.18 1wfo s PRO 31 CO 0.33 -1.69 0.70 0.00 0.04 0.00 0.00 177.00 176.37 1wfo s MET 32 N 5.15 3.10 0.00 4.56 0.23 -1.26 -4.53 119.30 126.56 1wfo s MET 32 Ca 0.60 -0.38 0.00 0.00 -1.03 0.00 0.00 55.69 54.88 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 0.31 -0.29 0.00 0.41 -2.03 0.00 0.00 175.02 173.42 1wfo n GLY 33 N -2.13 0.50 3.40 3.16 0.00 -1.26 -2.70 105.19 106.16 1wfo n GLY 33 Ca 0.01 -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 -2.32 5.03 0.11 -0.61 -1.09 -1.26 -3.78 121.20 117.29 1wfo s ILE 34 Ca 0.00 -0.86 0.09 0.00 -2.23 0.00 0.00 60.65 57.66 1wfo s ILE 34 Cb 0.00 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1wfo s ILE 34 CO 0.00 -0.76 -0.24 -0.76 -1.23 0.00 0.00 174.94 171.95 1wfo s LEU 35 N 2.17 2.30 -0.56 2.97 1.43 -0.82 -4.99 118.68 121.18 1wfo s LEU 35 Ca 0.09 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1wfo s LEU 35 Cb -0.23 -1.04 0.15 0.00 0.03 0.00 0.00 46.19 45.10 1wfo s LEU 35 CO 0.08 0.12 0.36 -0.36 0.23 0.00 0.00 176.35 176.78 1wfo s PHE 36 N -1.10 3.43 -0.04 0.29 0.08 -1.26 -1.36 117.98 118.01 1wfo s PHE 36 Ca 0.10 -2.71 -0.24 0.00 0.12 0.00 0.00 56.93 54.19 1wfo s PHE 36 Cb -0.10 -3.16 -0.23 0.00 -0.57 0.00 0.00 43.02 38.97 1wfo s PHE 36 CO 0.05 -0.86 1.06 -1.00 -0.10 0.00 0.00 175.22 174.37 1wfo h PRO 37 N 7.20 0.17 -5.01 0.24 0.13 -1.94 -3.43 132.00 129.35 1wfo h PRO 37 Ca -0.05 -0.16 -0.67 0.00 -0.87 0.00 0.00 66.00 64.25 1wfo h PRO 37 Cb 0.97 0.04 -0.35 0.00 0.13 0.00 0.00 31.00 31.79 1wfo h PRO 37 CO 0.70 0.87 -0.84 -2.00 -0.23 0.00 0.00 178.00 176.50 1wfo s GLU 38 N -3.28 2.84 -0.08 0.86 2.12 -1.11 -5.07 118.70 114.99 1wfo s GLU 38 Ca -0.16 -0.94 -0.03 0.00 0.36 0.00 0.00 54.97 54.20 1wfo s GLU 38 Cb 0.01 -2.66 0.04 0.00 0.26 0.00 0.00 34.13 31.78 1wfo s GLU 38 CO 0.73 -0.29 0.06 0.08 -0.54 0.00 0.00 175.26 175.31 1wfo s VAL 39 N 1.25 -0.05 0.00 3.70 1.01 -1.26 0.15 120.40 125.20 1wfo s VAL 39 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1wfo s VAL 39 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1wfo s VAL 39 CO -0.11 0.06 0.00 0.54 0.00 0.00 0.00 175.10 175.59 1wfo n ARG 40 N 5.28 2.59 0.00 2.72 1.74 0.50 -4.68 116.66 124.81 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 -0.24 0.00 1.77 0.55 -2.24 -1.26 -3.10 114.28 109.77 1wfo n THR 41 Ca 0.00 0.23 0.03 0.00 -2.27 0.00 0.00 64.05 62.04 1wfo n THR 41 Cb 0.00 -0.62 0.12 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.09 0.09 -3.83 4.28 -2.24 -1.25 -4.31 114.28 106.93 1wfo n THR 42 Ca 0.00 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1wfo n THR 42 Cb 0.00 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.13 1wfo n THR 42 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfo s SER 43 N -1.11 -0.11 0.25 3.42 0.01 -1.26 0.32 113.70 115.22 1wfo s SER 43 Ca 0.10 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 1wfo s SER 43 Cb 0.05 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 1wfo s SER 43 CO 0.07 -0.14 0.44 0.68 0.41 0.00 0.00 173.24 174.70 1wfo s VAL 44 N -0.32 0.00 -0.27 3.43 -7.23 0.25 0.19 120.40 116.45 1wfo s VAL 44 Ca -0.04 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1wfo s VAL 44 Cb -0.03 -2.28 0.13 0.00 0.56 0.00 0.00 36.38 34.76 1wfo s VAL 44 CO 0.01 0.00 0.56 -0.60 -0.31 0.00 0.00 175.10 174.76 1wfo s ARG 45 N -3.94 0.49 0.40 4.82 3.52 0.39 0.27 118.95 124.90 1wfo s ARG 45 Ca 0.25 1.22 0.07 0.00 -0.13 0.00 0.00 55.73 57.14 1wfo s ARG 45 Cb 0.00 0.60 -0.07 0.00 -1.56 0.00 0.00 34.95 33.92 1wfo s ARG 45 CO 0.10 -0.31 0.06 -0.48 -0.81 0.00 0.00 175.30 173.86 1wfo s LEU 46 N 2.79 2.95 -0.02 -0.88 2.34 -1.11 -2.74 118.68 122.02 1wfo s LEU 46 Ca 0.00 -1.25 0.00 0.00 0.06 0.00 0.00 54.13 52.95 1wfo s LEU 46 Cb -0.13 -1.10 0.02 0.00 -0.56 0.00 0.00 46.19 44.42 1wfo s LEU 46 CO -0.17 -0.45 -0.00 0.27 -1.06 0.00 0.00 176.35 174.93 1wfo s ILE 47 N -2.66 0.15 0.46 1.48 -0.00 -0.46 -2.23 121.20 117.94 1wfo s ILE 47 Ca 0.37 0.06 0.00 0.00 -0.00 0.00 0.00 60.65 61.08 1wfo s ILE 47 Cb 0.07 -0.22 -0.00 0.00 -0.00 0.00 0.00 42.46 42.31 1wfo s ILE 47 CO 0.19 0.12 0.00 -2.67 -0.00 0.00 0.00 174.94 172.58 1wfo n TRP 48 N 3.88 1.05 -4.19 1.37 2.14 0.12 -1.95 117.44 119.85 1wfo n TRP 48 Ca -0.24 -2.28 -0.11 0.00 2.07 0.00 0.00 57.50 56.94 1wfo n TRP 48 Cb 0.52 -0.30 -0.10 0.00 -0.81 0.00 0.00 31.31 30.62 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 -3.66 0.94 0.53 -2.67 -0.21 -1.10 -4.58 119.66 108.91 1wfo s GLN 49 Ca 0.00 -1.42 -0.18 0.00 0.02 0.00 0.00 55.36 53.78 1wfo s GLN 49 Cb 0.00 -0.16 -0.07 0.00 1.00 0.00 0.00 33.01 33.79 1wfo s GLN 49 CO 0.00 -0.09 1.04 -1.25 -2.12 0.00 0.00 175.29 172.87 1wfo s PRO 50 N -3.89 3.62 -0.11 2.91 0.04 -1.26 -4.01 135.00 132.30 1wfo s PRO 50 Ca 0.18 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 1wfo s PRO 50 Cb 0.06 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO -0.01 -0.57 1.25 -1.25 0.04 0.00 0.00 177.00 176.46 1wfo s PRO 51 N -3.62 4.28 0.58 0.56 0.04 -1.26 -4.74 135.00 130.83 1wfo s PRO 51 Ca 0.65 1.69 0.33 0.00 0.04 0.00 0.00 61.00 63.71 1wfo s PRO 51 Cb -0.16 -3.67 1.38 0.00 0.04 0.00 0.00 34.50 32.08 1wfo s PRO 51 CO 0.27 -0.60 1.66 0.00 0.04 0.00 0.00 177.00 178.38 1wfo h ALA 52 N 7.91 2.88 -3.13 8.56 0.00 -1.94 -2.57 119.26 130.96 1wfo h ALA 52 Ca -0.30 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1wfo h ALA 52 Cb 1.13 0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 1wfo h ALA 52 CO 0.93 -1.43 -0.45 0.00 0.00 0.00 0.00 179.25 178.29 1wfo s ALA 53 N -4.69 3.73 0.13 0.00 0.00 -1.26 -4.90 121.76 114.77 1wfo s ALA 53 Ca -0.04 -3.59 -0.07 0.00 0.00 0.00 0.00 51.96 48.27 1wfo s ALA 53 Cb 0.19 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 1wfo s ALA 53 CO 0.64 -2.09 1.31 -1.00 0.00 0.00 0.00 175.76 174.62 1wfo h PRO 54 N 6.11 0.52 -7.18 0.00 0.13 -1.81 -3.27 132.00 126.51 1wfo h PRO 54 Ca 0.06 -0.50 -0.63 0.00 -0.87 0.00 0.00 66.00 64.06 1wfo h PRO 54 Cb 0.84 0.13 -0.35 0.00 0.13 0.00 0.00 31.00 31.75 1wfo h PRO 54 CO 0.74 1.14 -0.92 0.09 -0.23 0.00 0.00 178.00 178.81 1wfo n ASN 55 N -3.81 -1.17 0.00 1.44 3.02 -1.26 -3.52 115.26 109.96 1wfo n ASN 55 Ca -0.07 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1wfo n ASN 55 Cb 0.80 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 -1.43 3.38 3.68 7.41 0.00 -1.26 -3.42 105.19 113.55 1wfo n GLY 56 Ca 0.01 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.97 -2.88 -0.61 -0.00 -1.26 -4.85 119.36 110.73 1wfo n ILE 57 Ca 0.00 -0.24 -0.41 0.00 -0.00 0.00 0.00 62.75 62.10 1wfo n ILE 57 Cb 0.00 -1.53 -0.04 0.00 -0.00 0.00 0.00 39.64 38.07 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 -0.06 4.91 -0.13 1.39 -1.09 -1.26 -4.29 121.20 120.67 1wfo s ILE 58 Ca 0.68 1.70 0.22 0.00 -2.23 0.00 0.00 60.65 61.02 1wfo s ILE 58 Cb -0.63 -4.16 -0.18 0.00 -1.58 0.00 0.00 42.46 35.91 1wfo s ILE 58 CO 0.50 0.10 0.75 0.18 -1.23 0.00 0.00 174.94 175.23 1wfo n LEU 59 N 4.62 0.40 0.00 2.97 4.32 0.53 -4.65 117.00 125.19 1wfo n LEU 59 Ca 0.04 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1wfo n LEU 59 Cb 0.50 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1wfo n LEU 59 CO 0.49 -0.09 0.00 0.00 -1.22 0.00 0.00 177.39 176.57 1wfo n ALA 60 N -2.22 0.00 -2.26 -1.18 0.00 -1.16 -3.76 120.51 109.94 1wfo n ALA 60 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1wfo n ALA 60 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.77 1.47 -0.02 0.00 1.51 0.53 0.20 117.35 118.27 1wfo s TYR 61 Ca 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 57.07 54.59 1wfo s TYR 61 Cb 0.00 -0.68 0.02 0.00 -0.11 0.00 0.00 41.96 41.19 1wfo s TYR 61 CO 0.00 -0.69 0.00 -1.14 -1.11 0.00 0.00 175.55 172.61 1wfo s GLN 62 N -3.83 0.17 -0.27 -0.62 0.74 0.38 0.11 119.66 116.33 1wfo s GLN 62 Ca 0.39 0.07 0.02 0.00 0.05 0.00 0.00 55.36 55.89 1wfo s GLN 62 Cb 0.05 -0.33 0.07 0.00 1.10 0.00 0.00 33.01 33.90 1wfo s GLN 62 CO 0.19 -0.10 -0.02 0.42 -0.55 0.00 0.00 175.29 175.22 1wfo s ILE 63 N 0.78 1.75 -0.24 -2.34 1.01 0.37 -0.53 121.20 122.00 1wfo s ILE 63 Ca -0.07 -1.58 -0.10 0.00 0.00 0.00 0.00 60.65 58.90 1wfo s ILE 63 Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1wfo s ILE 63 CO -0.02 -0.27 0.14 0.42 0.00 0.00 0.00 174.94 175.22 1wfo s THR 64 N 1.25 5.17 -0.04 2.92 -4.23 -0.25 -1.31 115.64 119.16 1wfo s THR 64 Ca -0.01 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 1wfo s THR 64 Cb -0.19 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1wfo s THR 64 CO -0.09 0.34 -0.15 -1.38 -0.54 0.00 0.00 174.62 172.80 1wfo s HIS 65 N 1.17 2.67 0.02 3.99 -3.43 -1.25 -0.20 115.29 118.25 1wfo s HIS 65 Ca 0.07 -0.18 -0.28 0.00 -0.80 0.00 0.00 55.06 53.87 1wfo s HIS 65 Cb -0.14 -1.61 0.08 0.00 -1.43 0.00 0.00 32.58 29.48 1wfo s HIS 65 CO 0.05 0.18 0.71 -0.98 -2.00 0.00 0.00 174.74 172.70 1wfo s ARG 66 N -0.78 1.06 -0.44 -0.38 1.70 -1.02 -3.57 118.95 115.52 1wfo s ARG 66 Ca 0.12 -0.07 -0.29 0.00 -0.47 0.00 0.00 55.73 55.02 1wfo s ARG 66 Cb -0.11 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1wfo s ARG 66 CO 0.01 -0.40 1.16 -0.51 -1.08 0.00 0.00 175.30 174.48 1wfo s LEU 67 N -1.87 3.68 0.55 -1.89 1.43 -1.26 -0.29 118.68 119.04 1wfo s LEU 67 Ca -0.04 0.61 0.50 0.00 -1.03 0.00 0.00 54.13 54.17 1wfo s LEU 67 Cb -0.01 -3.55 1.73 0.00 0.03 0.00 0.00 46.19 44.40 1wfo s LEU 67 CO -0.01 -1.21 1.55 -3.20 0.23 0.00 0.00 176.35 173.72 1wfo n ASN 68 N 7.77 0.00 -0.03 2.29 5.15 0.46 -4.47 115.26 126.43 1wfo n ASN 68 Ca 0.12 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1wfo n ASN 68 Cb 0.49 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 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 -3.93 0.00 -0.86 -0.44 -2.24 -1.26 -5.09 114.28 100.47 1wfo n THR 69 Ca 0.44 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.33 1wfo n THR 69 Cb 2.01 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 70.21 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 0.00 0.00 -3.57 4.28 5.66 -1.26 -4.82 114.28 114.57 1wfo n THR 70 Ca 0.00 0.09 -0.26 0.00 -3.05 0.00 0.00 64.05 60.82 1wfo n THR 70 Cb 0.00 -0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 68.40 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 -2.16 5.15 -0.29 1.09 -4.23 -1.26 -4.93 115.64 109.01 1wfo s THR 71 Ca 0.00 -0.34 -0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1wfo s THR 71 Cb 0.00 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.24 1wfo s THR 71 CO 0.00 -0.30 1.05 0.00 -0.54 0.00 0.00 174.62 174.83 1wfo s ALA 72 N -2.02 -2.54 -0.79 3.99 0.00 -1.26 -4.99 121.76 114.15 1wfo s ALA 72 Ca 0.40 2.09 -0.23 0.00 0.00 0.00 0.00 51.96 54.22 1wfo s ALA 72 Cb -0.10 -1.90 -0.17 0.00 0.00 0.00 0.00 23.12 20.95 1wfo s ALA 72 CO 0.31 -0.56 2.39 0.09 0.00 0.00 0.00 175.76 177.99 1wfo n ASN 73 N 4.02 1.19 -0.62 0.00 4.13 -1.26 -4.64 115.26 118.08 1wfo n ASN 73 Ca -0.15 -1.03 0.08 0.00 1.68 0.00 0.00 54.58 55.16 1wfo n ASN 73 Cb 0.56 -1.39 -0.02 0.00 -1.54 0.00 0.00 39.78 37.39 1wfo n ASN 73 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1wfo n THR 74 N 7.95 0.00 -3.62 3.41 -2.24 -1.26 -4.57 114.28 113.95 1wfo n THR 74 Ca 0.50 0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.90 1wfo n THR 74 Cb 0.37 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.67 3.26 -0.68 6.98 0.00 -1.26 -4.99 121.76 123.40 1wfo s ALA 75 Ca 0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 1wfo s ALA 75 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1wfo s ALA 75 CO 0.00 -1.30 1.98 0.99 0.00 0.00 0.00 175.76 177.43 1wfo s THR 76 N 1.55 3.32 0.23 0.00 2.01 -1.23 -4.77 115.64 116.74 1wfo s THR 76 Ca 0.02 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1wfo s THR 76 Cb -0.19 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.45 1wfo s THR 76 CO 0.06 -0.76 0.60 0.68 -0.69 0.00 0.00 174.62 174.51 1wfo s VAL 77 N 10.03 4.84 -0.04 3.82 -7.23 -1.26 -3.85 120.40 126.72 1wfo s VAL 77 Ca 0.73 0.69 0.04 0.00 -1.81 0.00 0.00 61.98 61.63 1wfo s VAL 77 Cb -0.12 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.17 1wfo s VAL 77 CO 0.15 -0.01 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.08 1wfo s GLU 78 N -2.63 1.49 -0.05 4.82 2.12 -0.43 -4.96 118.70 119.06 1wfo s GLU 78 Ca 0.47 -0.51 -0.23 0.00 0.36 0.00 0.00 54.97 55.06 1wfo s GLU 78 Cb -0.12 -1.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 1wfo s GLU 78 CO 0.20 0.20 0.68 0.08 -0.54 0.00 0.00 175.26 175.88 1wfo s VAL 79 N 0.07 5.02 0.45 3.70 1.01 -1.26 -0.47 120.40 128.92 1wfo s VAL 79 Ca -0.03 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.42 1wfo s VAL 79 Cb -0.10 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1wfo s VAL 79 CO 0.01 0.28 0.31 -0.76 0.00 0.00 0.00 175.10 174.95 1wfo s LEU 80 N 0.62 3.09 0.76 3.92 1.43 0.30 -4.92 118.68 123.87 1wfo s LEU 80 Ca 0.36 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1wfo s LEU 80 Cb -0.18 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1wfo s LEU 80 CO 0.18 -0.74 1.13 0.00 0.23 0.00 0.00 176.35 177.14 1wfo s ALA 81 N -2.61 2.73 -1.71 4.21 0.00 -1.26 -0.35 121.76 122.77 1wfo s ALA 81 Ca 0.41 -0.45 0.23 0.00 0.00 0.00 0.00 51.96 52.16 1wfo s ALA 81 Cb -0.00 -3.01 1.29 0.00 0.00 0.00 0.00 23.12 21.40 1wfo s ALA 81 CO 0.24 -1.41 1.77 -0.35 0.00 0.00 0.00 175.76 176.01 1wfo n PRO 82 N -3.17 0.53 -1.05 0.00 -0.04 -1.25 -2.57 135.00 127.45 1wfo n PRO 82 Ca 0.07 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1wfo n PRO 82 Cb 0.59 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.15 2.83 -4.53 3.54 3.41 -1.26 -4.86 113.62 111.61 1wfo n SER 83 Ca 0.14 -3.85 -0.37 0.00 -0.26 0.00 0.00 58.87 54.54 1wfo n SER 83 Cb 0.13 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.36 3.33 -1.05 7.33 0.00 -1.06 -4.93 121.76 122.03 1wfo s ALA 84 Ca 0.43 -1.04 0.13 0.00 0.00 0.00 0.00 51.96 51.48 1wfo s ALA 84 Cb 0.39 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1wfo s ALA 84 CO -0.03 -0.38 0.69 0.54 0.00 0.00 0.00 175.76 176.58 1wfo n ARG 85 N 4.71 2.13 -3.95 0.00 5.12 -1.26 -4.94 116.66 118.46 1wfo n ARG 85 Ca -0.16 -0.54 -0.09 0.00 -1.93 0.00 0.00 57.85 55.14 1wfo n ARG 85 Cb 0.52 -1.16 -0.04 0.00 -1.16 0.00 0.00 32.46 30.62 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wfo s GLN 86 N -1.76 1.65 -0.10 5.56 -2.07 -1.26 0.11 119.66 121.79 1wfo s GLN 86 Ca 0.09 -1.18 -0.24 0.00 -1.82 0.00 0.00 55.36 52.21 1wfo s GLN 86 Cb 0.10 0.52 0.05 0.00 -1.09 0.00 0.00 33.01 32.59 1wfo s GLN 86 CO 0.37 -0.71 0.56 -0.47 -1.32 0.00 0.00 175.29 173.72 1wfo s TYR 87 N -3.93 -0.54 -0.18 9.60 5.04 -0.94 -4.98 117.35 121.42 1wfo s TYR 87 Ca 0.19 1.06 -0.08 0.00 -2.44 0.00 0.00 57.07 55.81 1wfo s TYR 87 Cb -0.02 0.27 -0.04 0.00 0.35 0.00 0.00 41.96 42.52 1wfo s TYR 87 CO 0.09 -0.46 0.07 0.99 -1.34 0.00 0.00 175.55 174.89 1wfo s THR 88 N -0.74 4.83 -0.19 4.34 2.01 -1.26 -2.74 115.64 121.89 1wfo s THR 88 Ca -0.08 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1wfo s THR 88 Cb -0.03 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1wfo s THR 88 CO 0.06 0.46 -0.04 0.00 -0.69 0.00 0.00 174.62 174.41 1wfo s ALA 89 N 0.35 2.90 0.08 7.40 0.00 0.14 -4.98 121.76 127.64 1wfo s ALA 89 Ca 0.03 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1wfo s ALA 89 Cb -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1wfo s ALA 89 CO -0.00 -0.14 -0.11 0.95 0.00 0.00 0.00 175.76 176.47 1wfo s THR 90 N 0.98 0.89 0.00 0.00 -4.23 -1.26 0.86 115.64 112.88 1wfo s THR 90 Ca 0.00 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1wfo s THR 90 Cb -0.15 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1wfo s THR 90 CO 0.01 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1wfo n GLY 91 N 0.97 0.76 3.87 3.99 0.00 0.15 -4.96 105.19 109.96 1wfo n GLY 91 Ca -0.19 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.99 2.83 -0.11 0.99 1.43 0.10 -5.02 118.68 117.90 1wfo s LEU 92 Ca 0.00 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 1wfo s LEU 92 Cb 0.00 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1wfo s LEU 92 CO 0.00 -0.94 -0.05 -0.75 0.23 0.00 0.00 176.35 174.83 1wfo s LYS 93 N -4.18 3.22 0.48 1.70 2.20 -1.26 -3.96 119.74 117.95 1wfo s LYS 93 Ca 0.35 -0.53 -0.20 0.00 -0.36 0.00 0.00 55.97 55.22 1wfo s LYS 93 Cb -0.01 -2.75 -0.08 0.00 -1.51 0.00 0.00 37.83 33.47 1wfo s LYS 93 CO 0.21 0.45 1.04 -1.25 -0.36 0.00 0.00 175.35 175.44 1wfo s PRO 94 N -0.21 3.82 -0.58 4.03 0.04 -1.26 -4.08 135.00 136.75 1wfo s PRO 94 Ca 0.03 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 1wfo s PRO 94 Cb -0.13 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1wfo s PRO 94 CO 0.03 -0.42 0.50 0.39 0.04 0.00 0.00 177.00 177.53 1wfo n GLU 95 N -0.93 -2.22 -1.54 4.56 1.02 0.15 -4.96 120.64 116.73 1wfo n GLU 95 Ca 0.09 0.45 -0.01 0.00 -0.02 0.00 0.00 57.16 57.67 1wfo n GLU 95 Cb 0.52 -3.99 -0.00 0.00 -0.02 0.00 0.00 31.44 27.95 1wfo n GLU 95 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wfo n SER 96 N -2.27 -0.09 -3.64 1.62 3.41 -1.26 -4.94 113.62 106.45 1wfo n SER 96 Ca -0.09 -1.10 -0.29 0.00 -0.26 0.00 0.00 58.87 57.13 1wfo n SER 96 Cb 0.57 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.54 1wfo n SER 96 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wfo s VAL 97 N -2.61 0.33 -0.06 -3.33 1.01 -1.26 -2.28 120.40 112.20 1wfo s VAL 97 Ca 0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1wfo s VAL 97 Cb -0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1wfo s VAL 97 CO 0.01 -0.59 0.28 -0.31 0.00 0.00 0.00 175.10 174.49 1wfo s TYR 98 N 1.91 3.67 -0.15 5.22 1.51 -0.33 0.17 117.35 129.35 1wfo s TYR 98 Ca 0.07 0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 56.86 1wfo s TYR 98 Cb -0.17 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1wfo s TYR 98 CO -0.26 0.69 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.68 1wfo s LEU 99 N -1.06 3.38 -0.29 -1.29 1.98 0.61 0.77 118.68 122.77 1wfo s LEU 99 Ca 0.19 -0.06 -0.05 0.00 -2.89 0.00 0.00 54.13 51.33 1wfo s LEU 99 Cb -0.14 -1.81 0.02 0.00 0.66 0.00 0.00 46.19 44.92 1wfo s LEU 99 CO 0.09 0.20 0.05 -0.36 -1.89 0.00 0.00 176.35 174.44 1wfo s PHE 100 N 0.16 3.16 -0.42 5.38 0.08 0.45 -2.44 117.98 124.35 1wfo s PHE 100 Ca -0.00 -1.26 -0.17 0.00 0.12 0.00 0.00 56.93 55.62 1wfo s PHE 100 Cb -0.13 -2.21 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1wfo s PHE 100 CO 0.02 -0.66 0.40 0.50 -0.10 0.00 0.00 175.22 175.39 1wfo s ARG 101 N 1.42 3.06 -0.12 0.44 3.52 0.71 -0.46 118.95 127.53 1wfo s ARG 101 Ca 0.01 -0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.63 1wfo s ARG 101 Cb -0.18 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 1wfo s ARG 101 CO 0.01 -0.84 0.26 0.42 -0.81 0.00 0.00 175.30 174.34 1wfo s ILE 102 N 2.00 5.31 0.01 4.11 1.01 0.49 -1.09 121.20 133.06 1wfo s ILE 102 Ca 0.10 0.48 -0.12 0.00 0.00 0.00 0.00 60.65 61.11 1wfo s ILE 102 Cb -0.18 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1wfo s ILE 102 CO 0.12 0.50 0.26 -0.89 0.00 0.00 0.00 174.94 174.93 1wfo s THR 103 N -0.31 0.08 0.17 2.92 2.01 0.30 -0.51 115.64 120.30 1wfo s THR 103 Ca 0.17 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1wfo s THR 103 Cb -0.13 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1wfo s THR 103 CO 0.05 -0.35 0.10 0.00 -0.69 0.00 0.00 174.62 173.74 1wfo s ALA 104 N -1.85 3.49 -0.17 7.40 0.00 -1.26 0.14 121.76 129.51 1wfo s ALA 104 Ca -0.10 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 1wfo s ALA 104 Cb -0.04 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 1wfo s ALA 104 CO 0.01 0.50 -0.12 -1.14 0.00 0.00 0.00 175.76 175.01 1wfo s GLN 105 N -3.06 3.29 0.41 0.00 0.74 0.53 -3.56 119.66 118.00 1wfo s GLN 105 Ca 0.30 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1wfo s GLN 105 Cb -0.10 -2.74 -0.00 0.00 1.10 0.00 0.00 33.01 31.27 1wfo s GLN 105 CO 0.22 -0.02 0.03 0.25 -0.55 0.00 0.00 175.29 175.22 1wfo n THR 106 N 4.21 0.00 0.83 -0.34 -2.24 -0.15 0.20 114.28 116.80 1wfo n THR 106 Ca -0.19 -2.02 0.09 0.00 -2.27 0.00 0.00 64.05 59.66 1wfo n THR 106 Cb 0.51 0.49 0.45 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.00 0.22 -0.12 -0.78 1.85 -1.26 -2.62 116.66 112.95 1wfo n ARG 107 Ca -0.15 0.12 -0.19 0.00 -1.00 0.00 0.00 57.85 56.64 1wfo n ARG 107 Cb 0.54 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.32 0.66 0.00 2.89 4.76 -1.26 -5.10 118.16 118.79 1wfo n LYS 108 Ca 0.08 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1wfo n LYS 108 Cb 0.16 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 2.20 -0.11 3.46 0.72 0.00 -1.08 -4.96 105.19 105.43 1wfo n GLY 109 Ca -0.45 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.00 3.11 0.00 1.61 0.52 -1.26 -0.97 118.94 117.94 1wfo s TRP 110 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.74 1wfo s TRP 110 Cb 0.00 -2.26 0.00 0.00 -1.15 0.00 0.00 33.47 30.06 1wfo s TRP 110 CO 0.00 -0.35 0.00 0.41 0.02 0.00 0.00 176.95 177.03 1wfo n GLY 111 N 4.94 0.18 3.20 0.98 0.00 -1.23 -4.98 105.19 108.27 1wfo n GLY 111 Ca -0.16 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.82 -3.76 1.61 4.71 -1.21 -4.80 120.64 116.37 1wfo n GLU 112 Ca 0.00 -0.22 -0.17 0.00 -0.01 0.00 0.00 57.16 56.75 1wfo n GLU 112 Cb 0.00 -1.47 -0.17 0.00 -1.01 0.00 0.00 31.44 28.79 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 0.20 -0.24 0.62 0.00 -1.26 -4.44 121.76 114.46 1wfo s ALA 113 Ca 0.49 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 1wfo s ALA 113 Cb -0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1wfo s ALA 113 CO 0.68 -0.26 0.68 0.00 0.00 0.00 0.00 175.76 176.87 1wfo s ALA 114 N 1.50 3.61 -0.18 0.00 0.00 0.33 -4.83 121.76 122.19 1wfo s ALA 114 Ca -0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1wfo s ALA 114 Cb -0.13 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1wfo s ALA 114 CO -0.03 -0.79 0.26 -1.21 0.00 0.00 0.00 175.76 173.99 1wfo s GLU 115 N 2.48 4.21 -0.09 0.00 2.02 -1.26 -0.38 118.70 125.69 1wfo s GLU 115 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 54.97 55.28 1wfo s GLU 115 Cb -0.16 -3.46 0.03 0.00 0.10 0.00 0.00 34.13 30.64 1wfo s GLU 115 CO 0.09 0.18 -0.04 0.00 0.02 0.00 0.00 175.26 175.50 1wfo s ALA 116 N 0.66 1.02 0.04 5.21 0.00 0.39 -4.92 121.76 124.16 1wfo s ALA 116 Ca 0.14 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 1wfo s ALA 116 Cb -0.13 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 1wfo s ALA 116 CO 0.03 -0.37 0.40 -0.51 0.00 0.00 0.00 175.76 175.31 1wfo s LEU 117 N 1.69 4.41 -0.14 0.00 1.43 -1.26 0.17 118.68 124.98 1wfo s LEU 117 Ca 0.03 0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1wfo s LEU 117 Cb -0.13 -2.79 0.06 0.00 0.03 0.00 0.00 46.19 43.37 1wfo s LEU 117 CO -0.06 0.25 0.31 0.54 0.23 0.00 0.00 176.35 177.62 1wfo s VAL 118 N -1.25 -0.30 0.45 -1.59 0.11 0.23 -4.97 120.40 113.09 1wfo s VAL 118 Ca 0.28 0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 59.35 1wfo s VAL 118 Cb -0.15 -0.49 -0.10 0.00 -1.53 0.00 0.00 36.38 34.12 1wfo s VAL 118 CO 0.15 0.08 0.94 -0.69 -3.33 0.00 0.00 175.10 172.25 1wfo s VAL 119 N 2.00 4.48 -0.38 2.04 1.01 -1.26 -1.19 120.40 127.10 1wfo s VAL 119 Ca -0.04 1.31 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 1wfo s VAL 119 Cb -0.11 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1wfo s VAL 119 CO -0.10 -0.45 0.42 0.42 0.00 0.00 0.00 175.10 175.40 1wfo s THR 120 N -2.33 5.10 -0.08 3.92 -4.23 -0.96 -4.85 115.64 112.21 1wfo s THR 120 Ca 0.60 -0.11 -0.32 0.00 -1.18 0.00 0.00 61.69 60.68 1wfo s THR 120 Cb -0.09 -3.95 0.14 0.00 1.34 0.00 0.00 72.50 69.93 1wfo s THR 120 CO 0.21 -0.28 1.41 0.28 -0.54 0.00 0.00 174.62 175.69 1wfo s THR 121 N 2.14 0.00 -0.44 3.99 -1.32 -1.18 0.33 115.64 119.16 1wfo s THR 121 Ca 0.13 -0.06 -0.14 0.00 -1.21 0.00 0.00 61.69 60.41 1wfo s THR 121 Cb -0.17 -2.00 0.06 0.00 -1.51 0.00 0.00 72.50 68.88 1wfo s THR 121 CO 0.13 0.00 0.32 -1.61 -2.21 0.00 0.00 174.62 171.25 1wfo s GLU 122 N -2.12 2.89 -0.33 7.08 2.02 -1.26 -4.34 118.70 122.64 1wfo s GLU 122 Ca 0.15 -1.26 -0.04 0.00 0.02 0.00 0.00 54.97 53.83 1wfo s GLU 122 Cb 0.07 -3.98 0.05 0.00 0.10 0.00 0.00 34.13 30.37 1wfo s GLU 122 CO -0.06 -0.91 0.08 0.21 0.02 0.00 0.00 175.26 174.59 1wfo s LYS 123 N 1.60 2.48 -0.53 1.61 2.20 -1.26 -5.06 119.74 120.78 1wfo s LYS 123 Ca 0.04 -1.28 -0.24 0.00 -0.36 0.00 0.00 55.97 54.13 1wfo s LYS 123 Cb -0.22 -3.37 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1wfo s LYS 123 CO 0.07 -0.69 0.90 0.50 -0.36 0.00 0.00 175.35 175.76 1wfo s ARG 124 N 1.32 3.34 -0.27 4.03 6.06 -1.26 -4.98 118.95 127.18 1wfo s ARG 124 Ca -0.02 -0.27 -0.23 0.00 -2.50 0.00 0.00 55.73 52.71 1wfo s ARG 124 Cb -0.20 -4.04 0.08 0.00 0.06 0.00 0.00 34.95 30.85 1wfo s ARG 124 CO 0.01 -1.41 0.76 0.45 -2.50 0.00 0.00 175.30 172.61 1wfo s SER 125 N 2.71 -0.75 -0.39 -2.12 0.15 -1.26 -5.13 113.70 106.92 1wfo s SER 125 Ca 0.29 1.38 0.03 0.00 0.70 0.00 0.00 55.95 58.35 1wfo s SER 125 Cb -0.13 1.38 0.11 0.00 -1.71 0.00 0.00 66.02 65.67 1wfo s SER 125 CO 0.19 -0.23 0.14 -0.83 1.20 0.00 0.00 173.24 173.71 1wfo s GLY 126 N 0.65 1.79 1.09 9.45 0.00 -1.26 -5.11 107.32 113.92 1wfo s GLY 126 Ca -0.02 -2.49 -0.18 0.00 0.00 0.00 0.00 44.72 42.03 1wfo s GLY 126 CO -0.05 1.22 1.22 2.56 0.00 0.00 0.00 173.10 178.05 1wfo s PRO 127 N 0.74 -0.33 -0.30 2.90 0.04 -1.26 -5.10 135.00 131.70 1wfo s PRO 127 Ca 0.13 -0.26 -0.18 0.00 0.04 0.00 0.00 61.00 60.72 1wfo s PRO 127 Cb -0.21 -1.72 0.19 0.00 0.04 0.00 0.00 34.50 32.80 1wfo s PRO 127 CO -0.09 -3.08 1.25 0.45 0.04 0.00 0.00 177.00 175.56 1wfo s SER 128 N -4.42 -0.15 -0.08 6.66 0.15 -1.26 -5.08 113.70 109.52 1wfo s SER 128 Ca 0.73 0.25 -0.02 0.00 0.70 0.00 0.00 55.95 57.61 1wfo s SER 128 Cb -0.06 0.84 0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1wfo s SER 128 CO 0.54 -0.04 0.04 -0.24 1.20 0.00 0.00 173.24 174.75 1wfo n SER 129 N 2.80 -6.15 0.00 5.45 2.88 -1.26 -5.37 113.62 111.97 1wfo n SER 129 Ca -0.16 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1wfo n SER 129 Cb 0.57 -2.83 0.00 0.00 -0.75 0.00 0.00 64.21 61.19 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42