#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 -0.01 0.22 1.61 0.15 -1.26 -5.19 113.70 109.22 1wfo s SER 2 Ca 0.00 -0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.39 1wfo s SER 2 Cb 0.00 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1wfo s SER 2 CO 0.00 -0.07 0.82 -0.94 1.20 0.00 0.00 173.24 174.25 1wfo s SER 3 N -3.14 -0.23 0.02 5.45 1.04 -1.26 -5.19 113.70 110.39 1wfo s SER 3 Ca 0.17 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 1wfo s SER 3 Cb 0.06 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1wfo s SER 3 CO -0.06 -1.15 0.14 0.61 0.98 0.00 0.00 173.24 173.76 1wfo n GLY 4 N -0.46 1.16 3.57 7.32 0.00 -1.26 -5.19 105.19 110.32 1wfo n GLY 4 Ca -0.05 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.33 -0.26 0.00 1.61 1.04 -1.26 -5.19 113.70 108.32 1wfo s SER 5 Ca 0.03 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1wfo s SER 5 Cb -0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1wfo s SER 5 CO 0.01 -0.36 0.00 -1.20 0.98 0.00 0.00 173.24 172.67 1wfo n SER 6 N 0.17 0.00 0.00 7.02 7.64 -1.26 -5.17 113.62 122.02 1wfo n SER 6 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1wfo n SER 6 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1wfo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfo n GLY 7 N -0.38 2.34 2.98 0.23 0.00 -1.26 -5.17 105.19 103.92 1wfo n GLY 7 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 1wfo n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wfo s ARG 8 N -0.35 0.65 0.46 1.61 3.03 -1.26 -5.15 118.95 117.93 1wfo s ARG 8 Ca 0.00 -0.23 0.04 0.00 2.03 0.00 0.00 55.73 57.56 1wfo s ARG 8 Cb 0.00 -0.63 -0.04 0.00 -1.03 0.00 0.00 34.95 33.25 1wfo s ARG 8 CO 0.00 0.11 0.02 0.96 -1.13 0.00 0.00 175.30 175.26 1wfo s ILE 9 N 0.04 1.45 0.20 4.99 -4.36 -1.26 -5.06 121.20 117.20 1wfo s ILE 9 Ca -0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1wfo s ILE 9 Cb -0.05 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1wfo s ILE 9 CO -0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1wfo n GLY 10 N -1.10 -4.08 0.00 6.27 0.00 -1.26 -5.11 105.19 99.91 1wfo n GLY 10 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1wfo n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wfo n ASP 11 N -0.20 0.00 -0.95 1.61 5.68 -1.26 -5.12 116.55 116.31 1wfo n ASP 11 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1wfo n ASP 11 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1wfo n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wfo n GLY 12 N -0.04 -1.86 2.65 6.12 0.00 -1.26 -5.11 105.19 105.70 1wfo n GLY 12 Ca 0.00 -0.45 -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 -1.14 0.00 0.00 0.00 173.32 172.18 1wfo n SER 13 N 0.00 -1.11 0.10 1.61 3.41 -1.26 -5.07 113.62 111.30 1wfo n SER 13 Ca 0.00 -0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 57.94 1wfo n SER 13 Cb 0.00 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1wfo n SER 13 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1wfo h PRO 14 N 4.04 -0.33 -6.20 4.33 0.13 -2.08 -3.49 132.00 128.40 1wfo h PRO 14 Ca -0.02 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1wfo h PRO 14 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wfo h PRO 14 CO -0.13 -0.21 -0.98 0.45 -0.23 0.00 0.00 178.00 176.90 1wfo n SER 15 N -5.00 -6.27 -4.80 1.44 2.88 -1.26 -4.88 113.62 95.73 1wfo n SER 15 Ca -0.04 0.35 -0.36 0.00 -1.33 0.00 0.00 58.87 57.49 1wfo n SER 15 Cb 0.14 -1.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.02 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 -1.00 3.57 0.52 0.66 -3.43 -1.26 -5.04 115.29 109.32 1wfo s HIS 16 Ca 0.03 1.66 -0.19 0.00 -0.80 0.00 0.00 55.06 55.76 1wfo s HIS 16 Cb -0.00 -2.84 -0.07 0.00 -1.43 0.00 0.00 32.58 28.24 1wfo s HIS 16 CO 0.06 0.14 1.04 -1.25 -2.00 0.00 0.00 174.74 172.73 1wfo s PRO 17 N -2.37 3.65 0.67 -0.38 0.04 -1.26 -5.04 135.00 130.31 1wfo s PRO 17 Ca 0.52 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1wfo s PRO 17 Cb -0.15 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1wfo s PRO 17 CO 0.20 -0.55 1.06 -1.25 0.04 0.00 0.00 177.00 176.50 1wfo s PRO 18 N -3.56 3.03 0.80 0.56 0.04 -1.26 -4.98 135.00 129.62 1wfo s PRO 18 Ca 0.66 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 1wfo s PRO 18 Cb -0.16 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1wfo s PRO 18 CO 0.26 -1.03 -0.01 -0.89 0.04 0.00 0.00 177.00 175.38 1wfo n ILE 19 N -2.93 0.62 0.00 0.56 5.41 -1.26 -4.97 119.36 116.79 1wfo n ILE 19 Ca 0.08 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1wfo n ILE 19 Cb 0.53 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1wfo n ILE 19 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wfo n LEU 20 N 1.19 0.00 -3.70 1.39 7.99 -1.26 -5.03 117.00 117.58 1wfo n LEU 20 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.94 1wfo n LEU 20 Cb 0.52 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.70 1wfo n LEU 20 CO 0.52 0.00 -0.07 -1.83 -1.51 0.00 0.00 177.39 174.50 1wfo s GLU 21 N 0.00 0.25 0.00 3.23 1.03 -1.26 -5.08 118.70 116.87 1wfo s GLU 21 Ca 0.00 0.70 0.00 0.00 0.03 0.00 0.00 54.97 55.70 1wfo s GLU 21 Cb 0.00 -0.03 0.00 0.00 -0.80 0.00 0.00 34.13 33.30 1wfo s GLU 21 CO 0.00 -0.20 0.00 0.54 -1.33 0.00 0.00 175.26 174.27 1wfo n ARG 22 N 4.65 0.00 0.00 -4.83 1.74 -1.26 -5.09 116.66 111.87 1wfo n ARG 22 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1wfo n ARG 22 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1wfo n ARG 22 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1wfo n THR 23 N 0.00 0.00 -4.13 0.55 -1.04 -1.26 -4.99 114.28 103.41 1wfo n THR 23 Ca 0.00 0.58 -0.11 0.00 -2.04 0.00 0.00 64.05 62.49 1wfo n THR 23 Cb 0.00 -1.35 -0.10 0.00 -1.82 0.00 0.00 70.33 67.05 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 -3.11 2.44 -0.41 -4.42 1.43 -1.26 -5.12 118.68 108.22 1wfo s LEU 24 Ca 0.00 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 1wfo s LEU 24 Cb 0.00 -0.06 0.06 0.00 0.03 0.00 0.00 46.19 46.22 1wfo s LEU 24 CO 0.00 -0.41 0.27 1.51 0.23 0.00 0.00 176.35 177.95 1wfo s ASP 25 N -2.61 5.78 -0.12 2.29 1.47 -1.26 -4.52 116.67 117.70 1wfo s ASP 25 Ca 0.05 -1.27 -0.30 0.00 1.18 0.00 0.00 52.55 52.20 1wfo s ASP 25 Cb 0.01 -2.04 0.12 0.00 -0.34 0.00 0.00 42.92 40.68 1wfo s ASP 25 CO -0.04 -0.50 1.00 -1.81 0.68 0.00 0.00 175.17 174.50 1wfo s ASP 26 N 1.99 -0.33 0.83 2.11 1.11 -1.19 -5.08 116.67 116.11 1wfo s ASP 26 Ca 0.03 0.21 -0.10 0.00 0.18 0.00 0.00 52.55 52.86 1wfo s ASP 26 Cb -0.22 0.30 0.10 0.00 1.07 0.00 0.00 42.92 44.17 1wfo s ASP 26 CO 0.05 -0.41 1.11 0.68 1.18 0.00 0.00 175.17 177.78 1wfo s VAL 27 N -1.94 2.81 1.09 -1.27 -7.23 -1.26 -4.15 120.40 108.45 1wfo s VAL 27 Ca 0.02 0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 1wfo s VAL 27 Cb -0.01 -2.56 0.25 0.00 0.56 0.00 0.00 36.38 34.62 1wfo s VAL 27 CO -0.03 -0.34 1.22 -2.16 -0.31 0.00 0.00 175.10 173.48 1wfo s PRO 28 N -4.80 -0.37 0.00 4.82 0.04 -1.21 -4.80 135.00 128.67 1wfo s PRO 28 Ca 0.63 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1wfo s PRO 28 Cb -0.19 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1wfo s PRO 28 CO 0.57 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 174.91 1wfo n GLY 29 N -2.39 1.35 3.74 0.56 0.00 -1.23 -3.04 105.19 104.18 1wfo n GLY 29 Ca 0.15 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.83 4.61 -0.40 1.61 0.04 -1.26 -4.22 135.00 133.56 1wfo s PRO 30 Ca 0.00 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1wfo s PRO 30 Cb 0.00 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1wfo s PRO 30 CO 0.00 0.12 1.40 -1.25 0.04 0.00 0.00 177.00 177.31 1wfo s PRO 31 N -0.71 3.62 0.43 0.56 0.04 -1.26 -4.64 135.00 133.03 1wfo s PRO 31 Ca 0.48 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1wfo s PRO 31 Cb -0.30 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 1wfo s PRO 31 CO 0.37 -1.51 0.67 0.00 0.04 0.00 0.00 177.00 176.58 1wfo s MET 32 N 4.83 3.36 0.00 4.56 0.23 -1.25 -4.54 119.30 126.50 1wfo s MET 32 Ca 0.61 -0.18 0.00 0.00 -1.03 0.00 0.00 55.69 55.08 1wfo s MET 32 Cb -0.14 -2.52 0.00 0.00 -1.53 0.00 0.00 34.83 30.64 1wfo s MET 32 CO 0.31 -0.12 0.00 0.41 -2.03 0.00 0.00 175.02 173.59 1wfo n GLY 33 N -2.06 0.85 3.48 3.16 0.00 -1.26 -2.28 105.19 107.08 1wfo n GLY 33 Ca -0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.58 4.44 0.16 -0.61 -1.09 -1.26 -3.73 121.20 116.52 1wfo s ILE 34 Ca 0.00 -0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 1wfo s ILE 34 Cb 0.00 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 1wfo s ILE 34 CO 0.00 -1.19 -0.13 -0.76 -1.23 0.00 0.00 174.94 171.64 1wfo s LEU 35 N 3.78 2.50 -0.45 2.97 2.01 -1.09 -5.00 118.68 123.40 1wfo s LEU 35 Ca 0.25 -0.95 0.04 0.00 0.01 0.00 0.00 54.13 53.47 1wfo s LEU 35 Cb -0.15 -0.51 0.12 0.00 0.01 0.00 0.00 46.19 45.66 1wfo s LEU 35 CO 0.15 -0.23 0.19 -0.36 1.01 0.00 0.00 176.35 177.11 1wfo s PHE 36 N -2.86 3.26 -0.08 0.29 0.40 -1.26 -1.17 117.98 116.56 1wfo s PHE 36 Ca 0.16 -3.04 -0.27 0.00 -0.60 0.00 0.00 56.93 53.18 1wfo s PHE 36 Cb -0.01 -2.77 -0.23 0.00 0.51 0.00 0.00 43.02 40.52 1wfo s PHE 36 CO 0.03 -0.82 1.01 -1.00 0.70 0.00 0.00 175.22 175.14 1wfo h PRO 37 N 6.92 -0.00 -4.89 0.24 0.13 -1.94 -3.43 132.00 129.02 1wfo h PRO 37 Ca -0.06 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 1wfo h PRO 37 Cb 0.94 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.71 1wfo h PRO 37 CO 0.62 0.74 -0.79 -2.00 -0.23 0.00 0.00 178.00 176.33 1wfo s GLU 38 N -3.21 2.43 -0.05 0.86 2.12 -1.12 -5.06 118.70 114.66 1wfo s GLU 38 Ca -0.17 -1.23 -0.02 0.00 0.36 0.00 0.00 54.97 53.91 1wfo s GLU 38 Cb -0.01 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.53 1wfo s GLU 38 CO 0.68 -0.51 0.06 0.54 -0.54 0.00 0.00 175.26 175.49 1wfo s VAL 39 N 1.17 -0.08 0.00 3.70 0.11 -1.26 0.24 120.40 124.27 1wfo s VAL 39 Ca -0.06 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1wfo s VAL 39 Cb -0.19 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1wfo s VAL 39 CO -0.06 0.15 0.00 0.54 -3.33 0.00 0.00 175.10 172.41 1wfo n ARG 40 N 5.29 3.06 0.00 1.54 1.74 0.73 -4.66 116.66 124.36 1wfo n ARG 40 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 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 -0.10 0.00 1.73 0.55 -2.24 -1.26 -3.01 114.28 109.96 1wfo n THR 41 Ca 0.00 0.15 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 1wfo n THR 41 Cb 0.00 -0.70 0.38 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.00 0.00 -3.76 4.28 -2.24 -1.24 -4.53 114.28 106.79 1wfo n THR 42 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1wfo n THR 42 Cb 0.00 -0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.53 0.11 0.10 3.42 1.04 -1.26 0.50 113.70 116.08 1wfo s SER 43 Ca 0.19 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.68 1wfo s SER 43 Cb 0.09 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1wfo s SER 43 CO 0.15 -0.14 0.02 0.68 0.98 0.00 0.00 173.24 174.93 1wfo s VAL 44 N 1.15 0.17 -0.18 5.02 -7.23 -0.30 0.26 120.40 119.29 1wfo s VAL 44 Ca -0.08 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1wfo s VAL 44 Cb -0.13 -1.87 0.09 0.00 0.56 0.00 0.00 36.38 35.03 1wfo s VAL 44 CO -0.03 -0.65 0.28 -0.60 -0.31 0.00 0.00 175.10 173.79 1wfo s ARG 45 N -4.00 0.21 0.41 4.82 3.52 0.66 0.15 118.95 124.72 1wfo s ARG 45 Ca 0.18 0.56 0.07 0.00 -0.13 0.00 0.00 55.73 56.41 1wfo s ARG 45 Cb 0.08 -0.46 -0.06 0.00 -1.56 0.00 0.00 34.95 32.94 1wfo s ARG 45 CO -0.02 -0.46 0.11 -0.48 -0.81 0.00 0.00 175.30 173.63 1wfo s LEU 46 N 2.42 3.02 0.25 -0.88 2.34 -1.06 -2.81 118.68 121.97 1wfo s LEU 46 Ca 0.05 -1.18 0.02 0.00 0.06 0.00 0.00 54.13 53.07 1wfo s LEU 46 Cb -0.14 -1.24 -0.05 0.00 -0.56 0.00 0.00 46.19 44.20 1wfo s LEU 46 CO -0.11 -0.49 0.08 0.27 -1.06 0.00 0.00 176.35 175.03 1wfo s ILE 47 N -2.64 0.63 0.24 1.48 -0.00 -0.31 -1.93 121.20 118.68 1wfo s ILE 47 Ca 0.39 -2.00 -0.10 0.00 -0.00 0.00 0.00 60.65 58.94 1wfo s ILE 47 Cb 0.06 -2.57 0.04 0.00 -0.00 0.00 0.00 42.46 39.99 1wfo s ILE 47 CO 0.21 -0.08 0.52 -2.67 -0.00 0.00 0.00 174.94 172.92 1wfo n TRP 48 N -0.45 -1.81 -4.07 1.37 2.14 0.49 -2.66 117.44 112.46 1wfo n TRP 48 Ca -0.01 -1.16 -0.09 0.00 2.07 0.00 0.00 57.50 58.31 1wfo n TRP 48 Cb 0.66 0.58 -0.09 0.00 -0.81 0.00 0.00 31.31 31.64 1wfo n TRP 48 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfo s GLN 49 N -2.05 0.83 0.57 -2.67 -0.21 -0.97 -4.71 119.66 110.45 1wfo s GLN 49 Ca 0.11 -1.27 -0.16 0.00 0.02 0.00 0.00 55.36 54.05 1wfo s GLN 49 Cb -0.03 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 34.19 1wfo s GLN 49 CO 0.07 -0.23 1.05 -1.25 -2.12 0.00 0.00 175.29 172.81 1wfo s PRO 50 N -3.97 3.45 -0.14 2.91 0.04 -1.26 -3.81 135.00 132.22 1wfo s PRO 50 Ca 0.15 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1wfo s PRO 50 Cb 0.07 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1wfo s PRO 50 CO -0.04 -0.70 1.26 -1.25 0.04 0.00 0.00 177.00 176.31 1wfo s PRO 51 N -3.98 4.26 0.56 0.56 0.04 -1.26 -4.73 135.00 130.45 1wfo s PRO 51 Ca 0.63 1.68 0.43 0.00 0.04 0.00 0.00 61.00 63.78 1wfo s PRO 51 Cb -0.15 -3.72 1.58 0.00 0.04 0.00 0.00 34.50 32.24 1wfo s PRO 51 CO 0.34 -0.65 1.62 0.00 0.04 0.00 0.00 177.00 178.35 1wfo h ALA 52 N 8.07 3.48 -3.14 8.56 0.00 -1.94 -2.26 119.26 132.02 1wfo h ALA 52 Ca -0.29 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1wfo h ALA 52 Cb 1.12 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 1wfo h ALA 52 CO 0.95 -2.00 -0.46 0.00 0.00 0.00 0.00 179.25 177.74 1wfo s ALA 53 N -4.82 3.71 0.13 0.00 0.00 -1.26 -4.90 121.76 114.62 1wfo s ALA 53 Ca -0.05 -3.57 -0.06 0.00 0.00 0.00 0.00 51.96 48.28 1wfo s ALA 53 Cb 0.24 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 1wfo s ALA 53 CO 0.80 -2.09 1.32 -1.00 0.00 0.00 0.00 175.76 174.79 1wfo h PRO 54 N 6.14 0.51 -7.04 0.00 0.13 -1.79 -3.25 132.00 126.70 1wfo h PRO 54 Ca 0.05 -0.50 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1wfo h PRO 54 Cb 0.84 0.13 -0.30 0.00 0.13 0.00 0.00 31.00 31.80 1wfo h PRO 54 CO 0.73 1.13 -0.90 0.09 -0.23 0.00 0.00 178.00 178.82 1wfo n ASN 55 N -3.81 -1.60 0.00 1.44 3.02 -1.26 -3.36 115.26 109.69 1wfo n ASN 55 Ca -0.07 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1wfo n ASN 55 Cb 0.80 -1.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 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 -1.46 3.43 3.70 7.41 0.00 -1.26 -3.20 105.19 113.81 1wfo n GLY 56 Ca 0.01 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 0.05 -2.54 -0.61 -0.00 -1.26 -4.84 119.36 110.16 1wfo n ILE 57 Ca 0.00 -0.01 -0.41 0.00 -0.00 0.00 0.00 62.75 62.33 1wfo n ILE 57 Cb 0.00 -1.84 -0.04 0.00 -0.00 0.00 0.00 39.64 37.76 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 1.31 4.02 -0.08 1.39 -1.09 -1.26 -4.38 121.20 121.10 1wfo s ILE 58 Ca 0.77 1.67 0.18 0.00 -2.23 0.00 0.00 60.65 61.05 1wfo s ILE 58 Cb -0.57 -4.07 -0.27 0.00 -1.58 0.00 0.00 42.46 35.98 1wfo s ILE 58 CO 0.35 0.25 0.29 0.18 -1.23 0.00 0.00 174.94 174.78 1wfo n LEU 59 N 2.71 0.00 0.00 2.97 4.32 0.53 -4.71 117.00 122.81 1wfo n LEU 59 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1wfo n LEU 59 Cb 0.47 0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1wfo n LEU 59 CO 0.54 0.16 0.00 0.00 -1.22 0.00 0.00 177.39 176.87 1wfo n ALA 60 N -2.35 0.00 -2.27 -1.18 0.00 -1.17 -3.50 120.51 110.04 1wfo n ALA 60 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 1wfo n ALA 60 Cb 0.71 0.00 -0.09 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 -2.82 1.45 -0.02 0.00 1.51 0.12 0.59 117.35 118.18 1wfo s TYR 61 Ca 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 1wfo s TYR 61 Cb 0.00 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1wfo s TYR 61 CO 0.00 -0.60 0.01 -1.14 -1.11 0.00 0.00 175.55 172.71 1wfo s GLN 62 N -3.92 0.10 -0.29 -0.62 0.74 0.22 0.17 119.66 116.07 1wfo s GLN 62 Ca 0.38 0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.91 1wfo s GLN 62 Cb 0.06 -0.30 0.08 0.00 1.10 0.00 0.00 33.01 33.95 1wfo s GLN 62 CO 0.17 -0.12 0.02 0.42 -0.55 0.00 0.00 175.29 175.22 1wfo s ILE 63 N 0.84 1.59 -0.19 -2.34 1.01 0.11 -0.63 121.20 121.60 1wfo s ILE 63 Ca -0.08 -1.62 -0.17 0.00 0.00 0.00 0.00 60.65 58.78 1wfo s ILE 63 Cb -0.11 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1wfo s ILE 63 CO -0.02 -0.41 0.44 0.42 0.00 0.00 0.00 174.94 175.38 1wfo s THR 64 N 1.30 5.17 -0.16 2.92 -4.23 -0.45 -1.61 115.64 118.58 1wfo s THR 64 Ca 0.03 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1wfo s THR 64 Cb -0.18 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1wfo s THR 64 CO -0.12 0.25 -0.15 -1.38 -0.54 0.00 0.00 174.62 172.67 1wfo s HIS 65 N 1.27 2.79 0.02 3.99 -3.43 -1.25 -1.53 115.29 117.14 1wfo s HIS 65 Ca 0.22 -1.12 -0.16 0.00 -0.80 0.00 0.00 55.06 53.20 1wfo s HIS 65 Cb -0.15 -1.90 0.03 0.00 -1.43 0.00 0.00 32.58 29.12 1wfo s HIS 65 CO 0.09 -0.53 0.35 -0.98 -2.00 0.00 0.00 174.74 171.67 1wfo s ARG 66 N 0.92 0.81 -0.07 -0.38 1.70 -1.19 -3.94 118.95 116.80 1wfo s ARG 66 Ca -0.03 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 1wfo s ARG 66 Cb -0.15 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 1wfo s ARG 66 CO -0.02 -0.25 1.08 -0.51 -1.08 0.00 0.00 175.30 174.52 1wfo s LEU 67 N -1.78 4.27 0.03 -1.89 1.43 -1.26 -0.23 118.68 119.25 1wfo s LEU 67 Ca -0.08 1.66 0.15 0.00 -1.03 0.00 0.00 54.13 54.83 1wfo s LEU 67 Cb -0.02 -3.56 0.62 0.00 0.03 0.00 0.00 46.19 43.26 1wfo s LEU 67 CO -0.00 -0.48 1.46 -3.20 0.23 0.00 0.00 176.35 174.36 1wfo n ASN 68 N 4.94 0.07 -3.26 2.29 5.15 0.16 -3.94 115.26 120.67 1wfo n ASN 68 Ca 0.09 0.52 -0.18 0.00 -0.60 0.00 0.00 54.58 54.41 1wfo n ASN 68 Cb 0.48 -0.53 -0.07 0.00 -0.53 0.00 0.00 39.78 39.13 1wfo n ASN 68 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wfo s THR 69 N -3.04 -0.24 0.00 -0.44 -4.23 -1.26 -4.89 115.64 101.55 1wfo s THR 69 Ca 0.06 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1wfo s THR 69 Cb 0.09 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1wfo s THR 69 CO 0.26 -0.69 0.00 1.07 -0.54 0.00 0.00 174.62 174.72 1wfo n THR 70 N 3.55 0.00 -3.02 3.99 5.66 -1.25 -4.94 114.28 118.28 1wfo n THR 70 Ca 0.18 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1wfo n THR 70 Cb 0.48 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1wfo n THR 70 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1wfo n THR 71 N 0.00 -4.91 -3.28 1.09 -2.24 -1.26 -5.00 114.28 98.68 1wfo n THR 71 Ca 0.00 0.89 -0.21 0.00 -2.27 0.00 0.00 64.05 62.46 1wfo n THR 71 Cb 0.00 -4.06 0.05 0.00 -2.10 0.00 0.00 70.33 64.22 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo n ALA 72 N 1.44 1.14 -0.33 6.98 0.00 -1.26 -4.99 120.51 123.49 1wfo n ALA 72 Ca -0.04 -2.15 -0.00 0.00 0.00 0.00 0.00 53.44 51.25 1wfo n ALA 72 Cb 0.31 0.67 0.06 0.00 0.00 0.00 0.00 19.45 20.49 1wfo n ALA 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1wfo h ASN 73 N 0.25 -1.21 -5.24 0.00 -1.24 -2.05 -3.44 115.58 102.65 1wfo h ASN 73 Ca -0.30 0.28 0.16 0.00 0.71 0.00 0.00 56.30 57.16 1wfo h ASN 73 Cb 1.27 0.67 -0.09 0.00 0.73 0.00 0.00 38.32 40.89 1wfo h ASN 73 CO 0.44 -0.30 0.47 -0.89 -1.29 0.00 0.00 177.43 175.86 1wfo s THR 74 N -6.04 0.00 -0.37 -3.57 2.01 -1.26 -5.13 115.64 101.27 1wfo s THR 74 Ca -0.14 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1wfo s THR 74 Cb 0.21 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1wfo s THR 74 CO 0.72 0.00 0.37 0.00 -0.69 0.00 0.00 174.62 175.03 1wfo s ALA 75 N -3.29 3.47 -0.67 7.40 0.00 -1.26 -5.01 121.76 122.40 1wfo s ALA 75 Ca 0.11 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1wfo s ALA 75 Cb -0.01 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1wfo s ALA 75 CO 0.01 -1.27 1.79 0.99 0.00 0.00 0.00 175.76 177.29 1wfo s THR 76 N 2.01 3.42 0.35 0.00 2.01 -1.25 -4.82 115.64 117.35 1wfo s THR 76 Ca 0.11 0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1wfo s THR 76 Cb -0.17 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1wfo s THR 76 CO 0.12 -1.05 0.76 0.68 -0.69 0.00 0.00 174.62 174.44 1wfo s VAL 77 N 8.73 4.68 -0.04 3.82 -7.23 -1.26 -3.97 120.40 125.13 1wfo s VAL 77 Ca 0.63 0.91 0.05 0.00 -1.81 0.00 0.00 61.98 61.76 1wfo s VAL 77 Cb -0.11 -3.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.19 1wfo s VAL 77 CO 0.17 -0.27 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.80 1wfo s GLU 78 N -3.19 1.92 -0.14 4.82 2.12 -0.63 -4.95 118.70 118.64 1wfo s GLU 78 Ca 0.54 -0.68 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 1wfo s GLU 78 Cb -0.10 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 1wfo s GLU 78 CO 0.20 0.30 0.45 0.08 -0.54 0.00 0.00 175.26 175.75 1wfo s VAL 79 N -0.07 5.20 0.45 3.70 1.01 -1.26 0.08 120.40 129.51 1wfo s VAL 79 Ca -0.02 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.91 1wfo s VAL 79 Cb -0.11 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1wfo s VAL 79 CO 0.02 0.31 0.38 -0.76 0.00 0.00 0.00 175.10 175.06 1wfo s LEU 80 N 0.76 3.21 0.80 3.92 1.43 0.45 -4.90 118.68 124.35 1wfo s LEU 80 Ca 0.24 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1wfo s LEU 80 Cb -0.15 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.35 1wfo s LEU 80 CO 0.09 -0.77 1.13 0.00 0.23 0.00 0.00 176.35 177.03 1wfo s ALA 81 N -2.56 2.48 -1.62 4.21 0.00 -1.26 0.15 121.76 123.15 1wfo s ALA 81 Ca 0.45 -0.46 0.23 0.00 0.00 0.00 0.00 51.96 52.19 1wfo s ALA 81 Cb -0.02 -3.02 1.24 0.00 0.00 0.00 0.00 23.12 21.32 1wfo s ALA 81 CO 0.27 -1.65 1.76 -0.35 0.00 0.00 0.00 175.76 175.78 1wfo n PRO 82 N -3.34 0.47 -1.23 0.00 -0.04 -1.23 -2.62 135.00 127.01 1wfo n PRO 82 Ca 0.07 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1wfo n PRO 82 Cb 0.59 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.19 3.27 -4.77 3.54 3.41 -1.26 -4.85 113.62 111.77 1wfo n SER 83 Ca 0.13 -3.83 -0.36 0.00 -0.26 0.00 0.00 58.87 54.56 1wfo n SER 83 Cb 0.15 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 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 -3.41 3.73 -0.04 7.33 0.00 -1.08 -4.95 121.76 123.35 1wfo s ALA 84 Ca 0.45 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.83 1wfo s ALA 84 Cb 0.39 -2.13 -0.11 0.00 0.00 0.00 0.00 23.12 21.27 1wfo s ALA 84 CO -0.02 0.28 0.11 -2.13 0.00 0.00 0.00 175.76 174.01 1wfo n ARG 85 N 3.09 1.36 -4.02 0.00 3.00 -1.26 -4.95 116.66 113.88 1wfo n ARG 85 Ca -0.17 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.85 57.54 1wfo n ARG 85 Cb 0.53 -1.19 -0.08 0.00 0.00 0.00 0.00 32.46 31.72 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wfo s GLN 86 N -2.39 1.16 -0.10 -0.14 -2.07 -1.26 -0.38 119.66 114.48 1wfo s GLN 86 Ca -0.03 -1.27 -0.08 0.00 -1.82 0.00 0.00 55.36 52.15 1wfo s GLN 86 Cb 0.04 0.35 0.03 0.00 -1.09 0.00 0.00 33.01 32.34 1wfo s GLN 86 CO 0.32 -0.42 0.26 -0.47 -1.32 0.00 0.00 175.29 173.66 1wfo s TYR 87 N -4.01 -0.30 -0.19 9.60 6.14 -0.81 -5.01 117.35 122.77 1wfo s TYR 87 Ca 0.21 0.73 -0.10 0.00 0.64 0.00 0.00 57.07 58.55 1wfo s TYR 87 Cb 0.04 0.09 -0.05 0.00 0.42 0.00 0.00 41.96 42.46 1wfo s TYR 87 CO 0.02 -0.16 0.13 0.99 0.64 0.00 0.00 175.55 177.17 1wfo s THR 88 N 0.40 5.41 -0.01 4.34 2.01 -1.26 -2.55 115.64 123.98 1wfo s THR 88 Ca -0.02 0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1wfo s THR 88 Cb -0.04 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1wfo s THR 88 CO -0.02 0.46 0.06 0.00 -0.69 0.00 0.00 174.62 174.43 1wfo s ALA 89 N 0.22 3.51 -0.05 7.40 0.00 0.40 -4.97 121.76 128.28 1wfo s ALA 89 Ca 0.09 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1wfo s ALA 89 Cb -0.11 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1wfo s ALA 89 CO -0.01 0.67 0.27 0.95 0.00 0.00 0.00 175.76 177.64 1wfo s THR 90 N -1.15 0.04 0.00 0.00 -4.23 -1.26 -1.15 115.64 107.89 1wfo s THR 90 Ca 0.22 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1wfo s THR 90 Cb -0.12 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1wfo s THR 90 CO 0.12 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1wfo n GLY 91 N 1.93 0.46 3.54 3.99 0.00 0.18 -4.96 105.19 110.33 1wfo n GLY 91 Ca -0.19 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.56 2.77 -0.14 0.99 1.43 -0.15 -5.03 118.68 117.00 1wfo s LEU 92 Ca 0.00 -1.01 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 1wfo s LEU 92 Cb 0.00 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1wfo s LEU 92 CO 0.00 -0.07 0.45 -0.75 0.23 0.00 0.00 176.35 176.21 1wfo s LYS 93 N -3.59 4.31 0.74 1.70 2.20 -1.26 -3.62 119.74 120.22 1wfo s LYS 93 Ca 0.32 0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 56.19 1wfo s LYS 93 Cb -0.03 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1wfo s LYS 93 CO 0.17 0.13 1.08 -1.25 -0.36 0.00 0.00 175.35 175.12 1wfo s PRO 94 N 0.72 2.57 -1.01 4.03 0.04 -1.26 -4.07 135.00 136.02 1wfo s PRO 94 Ca 0.24 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 1wfo s PRO 94 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1wfo s PRO 94 CO 0.09 -1.32 0.86 0.39 0.04 0.00 0.00 177.00 177.06 1wfo n GLU 95 N -3.26 -5.76 -2.76 4.56 4.71 0.74 -4.96 120.64 113.90 1wfo n GLU 95 Ca 0.07 0.67 -0.07 0.00 -0.01 0.00 0.00 57.16 57.82 1wfo n GLU 95 Cb 0.55 -5.19 -0.01 0.00 -1.01 0.00 0.00 31.44 25.78 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1wfo n SER 96 N -2.44 -0.94 -4.06 1.62 7.64 -1.26 -4.98 113.62 109.20 1wfo n SER 96 Ca -0.13 -1.99 -0.25 0.00 1.01 0.00 0.00 58.87 57.52 1wfo n SER 96 Cb 0.60 1.66 -0.16 0.00 -1.01 0.00 0.00 64.21 65.30 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 -2.60 1.21 -0.07 0.44 1.01 -1.26 -1.64 120.40 117.49 1wfo s VAL 97 Ca 0.13 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1wfo s VAL 97 Cb -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1wfo s VAL 97 CO 0.10 0.36 -0.24 -0.31 0.00 0.00 0.00 175.10 175.01 1wfo s TYR 98 N 0.38 2.48 -0.30 5.22 1.51 -0.48 0.36 117.35 126.51 1wfo s TYR 98 Ca -0.10 -0.81 -0.17 0.00 -1.01 0.00 0.00 57.07 54.99 1wfo s TYR 98 Cb -0.13 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1wfo s TYR 98 CO 0.03 -0.27 0.45 -1.17 -1.11 0.00 0.00 175.55 173.47 1wfo s LEU 99 N -0.02 4.20 -0.38 -1.29 1.98 0.69 -0.30 118.68 123.56 1wfo s LEU 99 Ca -0.08 0.16 -0.14 0.00 -2.89 0.00 0.00 54.13 51.18 1wfo s LEU 99 Cb -0.15 -2.51 0.00 0.00 0.66 0.00 0.00 46.19 44.19 1wfo s LEU 99 CO 0.05 -0.32 0.27 -0.36 -1.89 0.00 0.00 176.35 174.10 1wfo s PHE 100 N 2.22 3.23 -0.36 5.38 0.40 0.50 -3.14 117.98 126.20 1wfo s PHE 100 Ca 0.17 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 1wfo s PHE 100 Cb -0.16 -2.53 0.01 0.00 0.51 0.00 0.00 43.02 40.85 1wfo s PHE 100 CO 0.11 -0.48 0.21 0.50 0.70 0.00 0.00 175.22 176.26 1wfo s ARG 101 N 1.70 3.08 -0.12 0.44 3.52 -0.59 0.11 118.95 127.09 1wfo s ARG 101 Ca 0.05 -0.91 -0.10 0.00 -0.13 0.00 0.00 55.73 54.64 1wfo s ARG 101 Cb -0.18 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 1wfo s ARG 101 CO 0.10 -0.60 0.20 0.42 -0.81 0.00 0.00 175.30 174.61 1wfo s ILE 102 N 1.62 5.39 0.08 4.11 1.01 0.70 -1.34 121.20 132.76 1wfo s ILE 102 Ca 0.04 0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1wfo s ILE 102 Cb -0.18 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1wfo s ILE 102 CO 0.08 0.55 0.23 -0.89 0.00 0.00 0.00 174.94 174.90 1wfo s THR 103 N -0.57 0.12 0.22 2.92 2.01 0.20 -0.30 115.64 120.24 1wfo s THR 103 Ca 0.15 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.23 1wfo s THR 103 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1wfo s THR 103 CO 0.04 -0.56 -0.07 0.00 -0.69 0.00 0.00 174.62 173.35 1wfo s ALA 104 N -3.52 3.02 -0.14 7.40 0.00 -1.26 0.71 121.76 127.97 1wfo s ALA 104 Ca 0.02 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.42 1wfo s ALA 104 Cb 0.03 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1wfo s ALA 104 CO -0.09 0.37 -0.20 -1.14 0.00 0.00 0.00 175.76 174.70 1wfo s GLN 105 N -3.23 3.09 0.00 0.00 0.74 0.20 -3.55 119.66 116.92 1wfo s GLN 105 Ca 0.28 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1wfo s GLN 105 Cb -0.08 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.54 1wfo s GLN 105 CO 0.17 0.01 0.00 0.25 -0.55 0.00 0.00 175.29 175.17 1wfo n THR 106 N 4.04 0.00 1.42 -0.34 -2.24 0.42 0.20 114.28 117.78 1wfo n THR 106 Ca -0.20 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1wfo n THR 106 Cb 0.52 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.49 -0.08 -0.78 1.85 -1.26 -2.91 116.66 113.97 1wfo n ARG 107 Ca 0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 57.85 56.78 1wfo n ARG 107 Cb 0.00 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.78 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 -1.24 1.26 0.00 2.89 4.76 -1.26 -5.09 118.16 119.48 1wfo n LYS 108 Ca 0.15 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1wfo n LYS 108 Cb 0.20 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 1.97 0.48 3.39 0.72 0.00 -1.15 -4.95 105.19 105.66 1wfo n GLY 109 Ca -0.27 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 3.03 0.00 1.61 0.52 -1.26 -0.44 118.94 118.40 1wfo s TRP 110 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 56.10 55.47 1wfo s TRP 110 Cb 0.00 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 1wfo s TRP 110 CO 0.00 -0.43 0.00 0.41 0.02 0.00 0.00 176.95 176.95 1wfo n GLY 111 N 4.81 0.76 3.30 0.98 0.00 -1.23 -4.99 105.19 108.81 1wfo n GLY 111 Ca -0.17 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.88 -3.86 1.61 1.02 -1.17 -4.79 120.64 112.57 1wfo n GLU 112 Ca 0.00 -0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 56.78 1wfo n GLU 112 Cb 0.00 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.60 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfo s ALA 113 N -2.27 0.03 -0.25 0.62 0.00 -1.26 -4.40 121.76 114.23 1wfo s ALA 113 Ca 0.54 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 1wfo s ALA 113 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1wfo s ALA 113 CO 0.68 -0.02 0.38 0.00 0.00 0.00 0.00 175.76 176.80 1wfo s ALA 114 N 0.21 3.57 -0.25 0.00 0.00 0.58 -4.83 121.76 121.03 1wfo s ALA 114 Ca -0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1wfo s ALA 114 Cb -0.03 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1wfo s ALA 114 CO -0.01 -0.53 0.18 -1.21 0.00 0.00 0.00 175.76 174.20 1wfo s GLU 115 N 1.81 4.04 -0.06 0.00 2.02 -1.26 -0.22 118.70 125.04 1wfo s GLU 115 Ca 0.16 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.91 1wfo s GLU 115 Cb -0.15 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.52 1wfo s GLU 115 CO 0.09 -0.02 -0.05 0.00 0.02 0.00 0.00 175.26 175.30 1wfo s ALA 116 N 1.28 0.85 -0.01 5.21 0.00 0.12 -4.93 121.76 124.27 1wfo s ALA 116 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 1wfo s ALA 116 Cb -0.14 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1wfo s ALA 116 CO 0.06 -0.11 0.36 -0.51 0.00 0.00 0.00 175.76 175.57 1wfo s LEU 117 N 1.13 4.45 -0.10 0.00 1.43 -1.26 0.19 118.68 124.52 1wfo s LEU 117 Ca -0.07 0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1wfo s LEU 117 Cb -0.14 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.59 1wfo s LEU 117 CO -0.01 0.32 0.21 0.54 0.23 0.00 0.00 176.35 177.64 1wfo s VAL 118 N -1.11 -0.24 0.51 -1.59 0.11 0.59 -4.95 120.40 113.72 1wfo s VAL 118 Ca 0.23 0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.39 1wfo s VAL 118 Cb -0.16 -0.36 -0.08 0.00 -1.53 0.00 0.00 36.38 34.26 1wfo s VAL 118 CO 0.12 0.11 0.96 -0.69 -3.33 0.00 0.00 175.10 172.28 1wfo s VAL 119 N 1.97 4.57 -0.37 2.04 1.01 -1.26 -1.38 120.40 126.98 1wfo s VAL 119 Ca -0.02 1.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1wfo s VAL 119 Cb -0.12 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1wfo s VAL 119 CO -0.07 -0.68 0.22 0.42 0.00 0.00 0.00 175.10 174.98 1wfo s THR 120 N -2.61 4.75 -0.04 3.92 -4.23 -0.65 -4.85 115.64 111.92 1wfo s THR 120 Ca 0.58 -0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 60.06 1wfo s THR 120 Cb -0.10 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.26 1wfo s THR 120 CO 0.32 -0.19 1.33 0.28 -0.54 0.00 0.00 174.62 175.81 1wfo s THR 121 N 1.60 0.00 -0.14 3.99 -1.32 -1.16 -0.19 115.64 118.42 1wfo s THR 121 Ca 0.03 -0.15 0.19 0.00 -1.21 0.00 0.00 61.69 60.55 1wfo s THR 121 Cb -0.19 -2.25 -0.16 0.00 -1.51 0.00 0.00 72.50 68.39 1wfo s THR 121 CO 0.07 0.00 0.70 -0.62 -2.21 0.00 0.00 174.62 172.56 1wfo n GLU 122 N -0.60 0.63 -1.90 7.08 1.02 -1.26 -4.22 120.64 121.40 1wfo n GLU 122 Ca -0.06 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 1wfo n GLU 122 Cb 0.62 -1.72 0.01 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.07 3.50 0.19 3.49 1.02 -1.26 -5.08 119.74 118.53 1wfo s LYS 123 Ca -0.04 0.69 0.10 0.00 0.02 0.00 0.00 55.97 56.74 1wfo s LYS 123 Cb 0.10 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1wfo s LYS 123 CO 0.83 -0.62 -0.17 0.50 -0.92 0.00 0.00 175.35 174.97 1wfo s ARG 124 N -5.19 1.78 0.23 1.68 3.52 -1.26 -5.08 118.95 114.62 1wfo s ARG 124 Ca 0.55 -1.41 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1wfo s ARG 124 Cb -0.11 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.24 1wfo s ARG 124 CO 0.53 0.41 0.12 -1.12 -0.81 0.00 0.00 175.30 174.43 1wfo s SER 125 N -2.76 0.61 0.00 -2.12 0.01 -1.26 -5.16 113.70 103.03 1wfo s SER 125 Ca 0.23 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.10 1wfo s SER 125 Cb -0.08 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1wfo s SER 125 CO 0.12 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1wfo n GLY 126 N -0.36 1.29 3.76 3.44 0.00 -1.26 -5.18 105.19 106.89 1wfo n GLY 126 Ca 0.01 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 1wfo n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 127 N 0.00 -0.52 -0.14 1.61 0.04 -1.26 -5.10 135.00 129.63 1wfo s PRO 127 Ca 0.00 -0.33 -0.29 0.00 0.04 0.00 0.00 61.00 60.42 1wfo s PRO 127 Cb 0.00 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.92 1wfo s PRO 127 CO 0.00 -3.20 0.75 0.45 0.04 0.00 0.00 177.00 175.04 1wfo s SER 128 N -4.47 -0.64 -0.28 6.66 0.15 -1.26 -5.17 113.70 108.69 1wfo s SER 128 Ca 0.74 0.92 -0.23 0.00 0.70 0.00 0.00 55.95 58.08 1wfo s SER 128 Cb -0.05 0.82 0.12 0.00 -1.71 0.00 0.00 66.02 65.19 1wfo s SER 128 CO 0.55 -0.44 0.96 -0.94 1.20 0.00 0.00 173.24 174.57 1wfo s SER 129 N -0.61 -0.53 0.00 5.45 1.04 -1.26 -5.39 113.70 112.40 1wfo s SER 129 Ca -0.06 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1wfo s SER 129 Cb -0.02 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1wfo s SER 129 CO 0.05 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.72