#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 0.00 1.61 2.88 -1.26 -5.19 113.62 111.66 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 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wfo n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfo n SER 3 N 0.00 0.00 -2.97 -3.46 2.88 -1.26 -5.19 113.62 103.62 1wfo n SER 3 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1wfo n SER 3 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wfo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfo n GLY 4 N -0.09 2.62 3.61 0.46 0.00 -1.26 -5.18 105.19 105.35 1wfo n GLY 4 Ca 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.09 -0.05 -0.28 1.61 1.04 -1.26 -5.19 113.70 106.48 1wfo s SER 5 Ca 0.32 -0.12 -0.36 0.00 0.48 0.00 0.00 55.95 56.27 1wfo s SER 5 Cb 0.01 0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.44 1wfo s SER 5 CO 0.23 -0.27 1.37 -0.44 0.98 0.00 0.00 173.24 175.11 1wfo s SER 6 N -2.98 -0.02 0.00 7.02 0.01 -1.26 -5.19 113.70 111.27 1wfo s SER 6 Ca 0.14 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1wfo s SER 6 Cb 0.05 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1wfo s SER 6 CO -0.04 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wfo n GLY 7 N 0.12 2.84 3.03 3.44 0.00 -1.26 -5.19 105.19 108.17 1wfo n GLY 7 Ca 0.04 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.85 0.43 0.43 1.61 3.00 -1.26 -5.17 118.95 117.15 1wfo s ARG 8 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 55.73 54.97 1wfo s ARG 8 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 34.95 35.05 1wfo s ARG 8 CO 0.00 -0.06 0.41 0.96 0.00 0.00 0.00 175.30 176.61 1wfo s ILE 9 N -2.32 2.59 0.00 1.52 -4.36 -1.26 -5.12 121.20 112.25 1wfo s ILE 9 Ca -0.07 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1wfo s ILE 9 Cb -0.04 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.76 1wfo s ILE 9 CO -0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.75 1wfo n GLY 10 N -1.61 2.56 0.00 6.27 0.00 -1.26 -5.19 105.19 105.96 1wfo n GLY 10 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.00 0.00 1.61 5.75 -1.26 -5.18 116.55 117.47 1wfo n ASP 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1wfo n ASP 11 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1wfo n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wfo n GLY 12 N -0.14 3.55 2.82 6.12 0.00 -1.26 -5.14 105.19 111.14 1wfo n GLY 12 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.37 0.97 1.61 0.01 -1.26 -5.17 113.70 109.49 1wfo s SER 13 Ca 0.00 -0.16 -0.14 0.00 1.31 0.00 0.00 55.95 56.96 1wfo s SER 13 Cb 0.00 0.55 0.18 0.00 0.21 0.00 0.00 66.02 66.96 1wfo s SER 13 CO 0.00 -0.04 1.17 -2.16 0.41 0.00 0.00 173.24 172.61 1wfo s PRO 14 N 2.08 0.63 0.35 12.44 0.04 -1.26 -5.09 135.00 144.19 1wfo s PRO 14 Ca 0.16 0.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.14 1wfo s PRO 14 Cb 0.02 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.82 1wfo s PRO 14 CO -0.16 -2.51 0.78 -1.13 0.04 0.00 0.00 177.00 174.03 1wfo n SER 15 N -3.94 -2.13 -3.78 6.66 3.41 -1.26 -5.18 113.62 107.40 1wfo n SER 15 Ca 0.09 -2.44 -0.13 0.00 -0.26 0.00 0.00 58.87 56.14 1wfo n SER 15 Cb 0.59 3.54 -0.10 0.00 -0.26 0.00 0.00 64.21 67.98 1wfo n SER 15 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1wfo s HIS 16 N -2.46 -0.22 0.38 7.33 -3.43 -1.26 -5.15 115.29 110.47 1wfo s HIS 16 Ca 0.16 0.46 -0.25 0.00 -0.80 0.00 0.00 55.06 54.63 1wfo s HIS 16 Cb -0.04 0.08 -0.09 0.00 -1.43 0.00 0.00 32.58 31.10 1wfo s HIS 16 CO 0.11 -0.27 1.06 -1.25 -2.00 0.00 0.00 174.74 172.39 1wfo s PRO 17 N -0.64 4.25 0.21 -0.38 0.04 -1.26 -5.01 135.00 132.21 1wfo s PRO 17 Ca -0.07 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1wfo s PRO 17 Cb -0.04 -2.66 -0.08 0.00 0.04 0.00 0.00 34.50 31.75 1wfo s PRO 17 CO 0.02 -0.08 1.10 -1.25 0.04 0.00 0.00 177.00 176.84 1wfo s PRO 18 N -2.29 4.61 0.84 0.56 0.04 -1.26 -5.05 135.00 132.45 1wfo s PRO 18 Ca 0.55 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 1wfo s PRO 18 Cb -0.24 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.24 1wfo s PRO 18 CO 0.30 0.12 1.14 -0.89 0.04 0.00 0.00 177.00 177.71 1wfo n ILE 19 N 1.99 0.00 -3.39 0.56 -0.00 -1.26 -4.55 119.36 112.71 1wfo n ILE 19 Ca 0.01 -1.23 -0.18 0.00 -0.00 0.00 0.00 62.75 61.36 1wfo n ILE 19 Cb 0.46 -1.23 0.07 0.00 -0.00 0.00 0.00 39.64 38.93 1wfo n ILE 19 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1wfo n LEU 20 N 0.00 -4.70 -3.71 1.39 7.94 -1.26 -4.98 117.00 111.69 1wfo n LEU 20 Ca 0.16 -0.73 -0.29 0.00 -1.11 0.00 0.00 56.01 54.05 1wfo n LEU 20 Cb 0.57 -3.06 -0.12 0.00 0.53 0.00 0.00 43.42 41.34 1wfo n LEU 20 CO 0.40 0.24 -0.20 -0.70 -1.11 0.00 0.00 177.39 176.02 1wfo s GLU 21 N -4.96 1.56 -0.29 1.96 2.12 -1.26 -5.08 118.70 112.74 1wfo s GLU 21 Ca 0.30 -2.41 -0.22 0.00 0.36 0.00 0.00 54.97 52.99 1wfo s GLU 21 Cb -0.05 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1wfo s GLU 21 CO 0.76 -1.24 0.72 -0.98 -0.54 0.00 0.00 175.26 173.98 1wfo s ARG 22 N -0.22 4.01 -0.16 4.30 1.70 -1.26 -4.94 118.95 122.39 1wfo s ARG 22 Ca 0.23 0.55 -0.22 0.00 -0.47 0.00 0.00 55.73 55.82 1wfo s ARG 22 Cb -0.13 -3.70 -0.19 0.00 -0.57 0.00 0.00 34.95 30.36 1wfo s ARG 22 CO -0.08 -0.57 0.43 1.15 -1.08 0.00 0.00 175.30 175.15 1wfo h THR 23 N 5.52 1.17 -1.37 4.99 2.02 -2.02 -3.47 112.91 119.75 1wfo h THR 23 Ca -0.25 -2.02 -0.44 0.00 0.77 0.00 0.00 66.41 64.46 1wfo h THR 23 Cb 1.11 2.35 0.03 0.00 -1.74 0.00 0.00 68.15 69.90 1wfo h THR 23 CO 0.84 0.40 -0.19 -0.76 0.37 0.00 0.00 175.52 176.17 1wfo s LEU 24 N -8.16 3.46 0.24 2.58 1.43 -1.26 -5.12 118.68 111.85 1wfo s LEU 24 Ca -0.19 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1wfo s LEU 24 Cb 0.00 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1wfo s LEU 24 CO 0.54 -0.98 0.35 -1.81 0.23 0.00 0.00 176.35 174.68 1wfo s ASP 25 N -4.45 6.27 -0.28 2.29 1.01 -1.26 -5.00 116.67 115.25 1wfo s ASP 25 Ca 0.57 0.05 -0.28 0.00 0.71 0.00 0.00 52.55 53.60 1wfo s ASP 25 Cb -0.09 -1.83 0.19 0.00 1.01 0.00 0.00 42.92 42.20 1wfo s ASP 25 CO 0.35 -0.07 1.35 1.51 0.21 0.00 0.00 175.17 178.53 1wfo s ASP 26 N -3.97 -0.07 0.95 0.27 1.47 -1.20 -5.09 116.67 109.04 1wfo s ASP 26 Ca 0.34 0.09 -0.11 0.00 1.18 0.00 0.00 52.55 54.05 1wfo s ASP 26 Cb -0.09 0.08 0.10 0.00 -0.34 0.00 0.00 42.92 42.67 1wfo s ASP 26 CO 0.29 -0.05 0.80 1.33 0.68 0.00 0.00 175.17 178.22 1wfo n VAL 27 N 0.83 0.00 -1.52 2.11 0.24 -1.26 -4.23 118.33 114.51 1wfo n VAL 27 Ca -0.04 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.34 61.86 1wfo n VAL 27 Cb 0.58 -0.83 0.23 0.00 -1.47 0.00 0.00 33.84 32.35 1wfo n VAL 27 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfo s PRO 28 N -4.17 -0.56 0.00 7.34 0.04 -1.23 -4.83 135.00 131.60 1wfo s PRO 28 Ca 0.62 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1wfo s PRO 28 Cb -0.22 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1wfo s PRO 28 CO 0.63 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.85 1wfo n GLY 29 N -2.45 1.67 3.73 0.56 0.00 -1.24 -2.79 105.19 104.67 1wfo n GLY 29 Ca 0.16 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.54 4.54 -0.45 1.61 0.04 -1.26 -4.07 135.00 134.86 1wfo s PRO 30 Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1wfo s PRO 30 Cb 0.00 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1wfo s PRO 30 CO 0.00 -0.03 1.43 -1.25 0.04 0.00 0.00 177.00 177.19 1wfo s PRO 31 N 0.04 3.47 0.47 0.56 0.04 -1.26 -4.67 135.00 133.65 1wfo s PRO 31 Ca 0.52 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 1wfo s PRO 31 Cb -0.30 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 1wfo s PRO 31 CO 0.34 -1.70 0.75 0.00 0.04 0.00 0.00 177.00 176.43 1wfo s MET 32 N 5.16 3.45 0.00 4.56 0.23 -1.25 -4.54 119.30 126.92 1wfo s MET 32 Ca 0.60 0.06 0.00 0.00 -1.03 0.00 0.00 55.69 55.32 1wfo s MET 32 Cb -0.13 -2.42 0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1wfo s MET 32 CO 0.31 -0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.51 1wfo n GLY 33 N -2.21 0.73 3.44 3.16 0.00 -1.26 -2.32 105.19 106.74 1wfo n GLY 33 Ca 0.00 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 1wfo n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 34 N -2.29 4.75 0.09 -0.61 -1.09 -1.26 -3.77 121.20 117.03 1wfo s ILE 34 Ca 0.00 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.01 1wfo s ILE 34 Cb 0.00 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1wfo s ILE 34 CO 0.00 -0.97 -0.17 -0.76 -1.23 0.00 0.00 174.94 171.82 1wfo s LEU 35 N 2.95 2.31 -0.58 2.97 2.01 -0.77 -5.00 118.68 122.57 1wfo s LEU 35 Ca 0.17 -0.68 -0.01 0.00 0.01 0.00 0.00 54.13 53.62 1wfo s LEU 35 Cb -0.19 -0.66 0.15 0.00 0.01 0.00 0.00 46.19 45.50 1wfo s LEU 35 CO 0.12 -0.04 0.38 -0.36 1.01 0.00 0.00 176.35 177.45 1wfo s PHE 36 N -1.41 3.39 -0.08 0.29 0.40 -1.26 -1.27 117.98 118.05 1wfo s PHE 36 Ca 0.03 -2.78 -0.25 0.00 -0.60 0.00 0.00 56.93 53.33 1wfo s PHE 36 Cb -0.09 -3.13 -0.21 0.00 0.51 0.00 0.00 43.02 40.10 1wfo s PHE 36 CO 0.03 -0.84 0.94 -1.00 0.70 0.00 0.00 175.22 175.06 1wfo h PRO 37 N 7.03 -0.04 -4.86 0.24 0.13 -1.94 -3.43 132.00 129.13 1wfo h PRO 37 Ca -0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.42 1wfo h PRO 37 Cb 0.95 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.79 1wfo h PRO 37 CO 0.70 0.64 -0.70 -2.00 -0.23 0.00 0.00 178.00 176.41 1wfo s GLU 38 N -3.15 2.87 -0.12 0.86 2.12 -1.11 -5.05 118.70 115.11 1wfo s GLU 38 Ca -0.16 -0.97 -0.04 0.00 0.36 0.00 0.00 54.97 54.16 1wfo s GLU 38 Cb -0.01 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.32 1wfo s GLU 38 CO 0.62 -0.44 0.11 0.08 -0.54 0.00 0.00 175.26 175.10 1wfo s VAL 39 N 1.37 -0.16 0.00 3.70 1.01 -1.26 0.19 120.40 125.25 1wfo s VAL 39 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1wfo s VAL 39 Cb -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1wfo s VAL 39 CO -0.02 -0.06 0.00 0.54 0.00 0.00 0.00 175.10 175.56 1wfo n ARG 40 N 5.30 2.67 0.00 2.72 1.74 0.22 -4.65 116.66 124.65 1wfo n ARG 40 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 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 -0.22 0.00 -1.32 0.55 -2.24 -1.26 -3.28 114.28 106.51 1wfo n THR 41 Ca 0.00 0.62 -0.26 0.00 -2.27 0.00 0.00 64.05 62.14 1wfo n THR 41 Cb 0.00 -1.25 0.14 0.00 -2.10 0.00 0.00 70.33 67.11 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 -0.94 3.28 -3.24 4.28 -2.24 -1.22 -4.26 114.28 109.95 1wfo n THR 42 Ca 0.00 -2.46 0.04 0.00 -2.27 0.00 0.00 64.05 59.36 1wfo n THR 42 Cb 0.00 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.47 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 -1.69 -0.73 0.36 3.42 1.04 -1.25 -1.55 113.70 113.29 1wfo s SER 43 Ca 0.59 0.61 0.05 0.00 0.48 0.00 0.00 55.95 57.67 1wfo s SER 43 Cb 0.48 1.67 -0.07 0.00 0.10 0.00 0.00 66.02 68.20 1wfo s SER 43 CO 0.05 -0.14 0.04 0.68 0.98 0.00 0.00 173.24 174.85 1wfo s VAL 44 N 2.79 1.51 -0.28 5.02 -7.23 0.44 0.70 120.40 123.34 1wfo s VAL 44 Ca 0.03 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1wfo s VAL 44 Cb -0.10 -2.86 0.18 0.00 0.56 0.00 0.00 36.38 34.15 1wfo s VAL 44 CO -0.15 -0.01 0.52 -0.60 -0.31 0.00 0.00 175.10 174.55 1wfo s ARG 45 N -3.82 0.50 0.42 4.82 3.52 0.52 -1.09 118.95 123.81 1wfo s ARG 45 Ca 0.36 0.67 0.08 0.00 -0.13 0.00 0.00 55.73 56.70 1wfo s ARG 45 Cb 0.09 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 1wfo s ARG 45 CO 0.16 -0.79 0.43 -0.48 -0.81 0.00 0.00 175.30 173.82 1wfo s LEU 46 N 2.74 3.43 -0.00 -0.88 2.34 -1.14 -2.76 118.68 122.40 1wfo s LEU 46 Ca 0.15 -0.69 0.01 0.00 0.06 0.00 0.00 54.13 53.66 1wfo s LEU 46 Cb -0.14 -2.16 -0.00 0.00 -0.56 0.00 0.00 46.19 43.34 1wfo s LEU 46 CO -0.22 -0.71 -0.03 0.27 -1.06 0.00 0.00 176.35 174.60 1wfo s ILE 47 N -2.46 0.22 0.40 1.48 -0.00 -0.39 -2.63 121.20 117.82 1wfo s ILE 47 Ca 0.50 -0.14 0.05 0.00 -0.00 0.00 0.00 60.65 61.06 1wfo s ILE 47 Cb -0.05 -0.19 -0.02 0.00 -0.00 0.00 0.00 42.46 42.20 1wfo s ILE 47 CO 0.29 0.05 0.16 -1.66 -0.00 0.00 0.00 174.94 173.79 1wfo s TRP 48 N -0.09 1.78 0.10 1.37 -2.14 0.16 -1.86 118.94 118.26 1wfo s TRP 48 Ca 0.01 -1.39 0.02 0.00 2.66 0.00 0.00 56.10 57.40 1wfo s TRP 48 Cb -0.01 -1.07 -0.04 0.00 -3.10 0.00 0.00 33.47 29.24 1wfo s TRP 48 CO -0.00 -0.43 -0.06 -0.65 -2.66 0.00 0.00 176.95 173.15 1wfo s GLN 49 N -3.63 0.84 0.55 3.25 -0.21 -0.98 -4.60 119.66 114.89 1wfo s GLN 49 Ca 0.26 -1.34 -0.17 0.00 0.02 0.00 0.00 55.36 54.12 1wfo s GLN 49 Cb 0.02 -0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.78 1wfo s GLN 49 CO 0.17 -0.03 1.04 -1.25 -2.12 0.00 0.00 175.29 173.11 1wfo s PRO 50 N -3.84 3.52 -0.18 2.91 0.04 -1.26 -3.77 135.00 132.42 1wfo s PRO 50 Ca 0.12 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1wfo s PRO 50 Cb 0.05 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1wfo s PRO 50 CO -0.04 -0.64 1.28 -1.25 0.04 0.00 0.00 177.00 176.39 1wfo s PRO 51 N -3.83 4.19 0.57 0.56 0.04 -1.26 -4.72 135.00 130.55 1wfo s PRO 51 Ca 0.64 1.63 0.42 0.00 0.04 0.00 0.00 61.00 63.73 1wfo s PRO 51 Cb -0.15 -3.79 1.52 0.00 0.04 0.00 0.00 34.50 32.11 1wfo s PRO 51 CO 0.31 -0.77 1.57 0.00 0.04 0.00 0.00 177.00 178.16 1wfo h ALA 52 N 8.41 3.46 -3.15 8.56 0.00 -1.94 -2.22 119.26 132.38 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 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 1wfo h ALA 52 CO 0.98 -2.03 -0.45 0.00 0.00 0.00 0.00 179.25 177.75 1wfo s ALA 53 N -4.77 3.70 0.14 0.00 0.00 -1.26 -4.89 121.76 114.68 1wfo s ALA 53 Ca -0.04 -3.55 -0.04 0.00 0.00 0.00 0.00 51.96 48.33 1wfo s ALA 53 Cb 0.23 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1wfo s ALA 53 CO 0.77 -2.09 1.34 -1.00 0.00 0.00 0.00 175.76 174.78 1wfo h PRO 54 N 6.21 0.43 -7.00 0.00 0.13 -1.79 -3.30 132.00 126.68 1wfo h PRO 54 Ca 0.05 -0.42 -0.60 0.00 -0.87 0.00 0.00 66.00 64.16 1wfo h PRO 54 Cb 0.85 0.11 -0.26 0.00 0.13 0.00 0.00 31.00 31.83 1wfo h PRO 54 CO 0.73 1.07 -0.91 0.09 -0.23 0.00 0.00 178.00 178.75 1wfo n ASN 55 N -3.78 -1.03 0.00 1.44 3.02 -1.26 -3.47 115.26 110.17 1wfo n ASN 55 Ca -0.06 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1wfo n ASN 55 Cb 0.79 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 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 -1.73 3.98 3.71 7.41 0.00 -1.26 -3.21 105.19 114.09 1wfo n GLY 56 Ca -0.09 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1wfo n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 57 N -0.43 2.33 0.04 -0.61 1.09 -1.26 -4.87 121.20 117.49 1wfo s ILE 57 Ca 0.00 0.12 -0.30 0.00 -1.10 0.00 0.00 60.65 59.37 1wfo s ILE 57 Cb 0.00 -3.08 -0.05 0.00 -1.06 0.00 0.00 42.46 38.27 1wfo s ILE 57 CO 0.00 0.01 1.18 -0.63 -0.10 0.00 0.00 174.94 175.39 1wfo s ILE 58 N 1.71 4.15 -0.12 2.92 -1.09 -1.26 -4.40 121.20 123.11 1wfo s ILE 58 Ca 0.76 1.54 0.19 0.00 -2.23 0.00 0.00 60.65 60.91 1wfo s ILE 58 Cb -0.47 -3.98 -0.24 0.00 -1.58 0.00 0.00 42.46 36.18 1wfo s ILE 58 CO 0.33 0.11 0.45 0.18 -1.23 0.00 0.00 174.94 174.78 1wfo n LEU 59 N 4.05 0.27 0.00 2.97 4.32 0.59 -4.65 117.00 124.55 1wfo n LEU 59 Ca 0.09 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1wfo n LEU 59 Cb 0.47 0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 1wfo n LEU 59 CO 0.55 0.21 0.00 0.00 -1.22 0.00 0.00 177.39 176.93 1wfo n ALA 60 N -2.47 0.00 -2.30 -1.18 0.00 -1.13 -3.53 120.51 109.90 1wfo n ALA 60 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 1wfo n ALA 60 Cb 0.85 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.59 1.54 -0.03 0.00 1.51 0.14 0.13 117.35 118.05 1wfo s TYR 61 Ca 0.00 -1.41 -0.01 0.00 -1.01 0.00 0.00 57.07 54.64 1wfo s TYR 61 Cb 0.00 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1wfo s TYR 61 CO 0.00 -0.59 0.06 -1.14 -1.11 0.00 0.00 175.55 172.77 1wfo s GLN 62 N -3.83 0.03 -0.29 -0.62 0.74 0.11 0.19 119.66 115.99 1wfo s GLN 62 Ca 0.37 0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.97 1wfo s GLN 62 Cb 0.05 -0.11 0.08 0.00 1.10 0.00 0.00 33.01 34.13 1wfo s GLN 62 CO 0.18 -0.10 0.02 0.42 -0.55 0.00 0.00 175.29 175.26 1wfo s ILE 63 N 0.64 1.55 -0.21 -2.34 1.01 0.24 -0.73 121.20 121.36 1wfo s ILE 63 Ca -0.05 -1.60 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 1wfo s ILE 63 Cb -0.07 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1wfo s ILE 63 CO -0.02 -0.42 0.57 0.42 0.00 0.00 0.00 174.94 175.49 1wfo s THR 64 N 1.32 5.06 -0.12 2.92 -4.23 -0.48 -1.55 115.64 118.55 1wfo s THR 64 Ca 0.04 1.05 0.02 0.00 -1.18 0.00 0.00 61.69 61.62 1wfo s THR 64 Cb -0.18 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.77 1wfo s THR 64 CO -0.12 0.13 -0.21 -1.38 -0.54 0.00 0.00 174.62 172.50 1wfo s HIS 65 N 1.87 2.66 0.14 3.99 -3.43 -1.26 -1.62 115.29 117.65 1wfo s HIS 65 Ca 0.26 -1.09 -0.17 0.00 -0.80 0.00 0.00 55.06 53.26 1wfo s HIS 65 Cb -0.16 -1.79 0.04 0.00 -1.43 0.00 0.00 32.58 29.25 1wfo s HIS 65 CO 0.10 -0.46 0.46 -0.98 -2.00 0.00 0.00 174.74 171.85 1wfo s ARG 66 N 0.56 1.16 -0.23 -0.38 1.70 -1.20 -3.95 118.95 116.61 1wfo s ARG 66 Ca -0.12 -0.70 -0.26 0.00 -0.47 0.00 0.00 55.73 54.18 1wfo s ARG 66 Cb -0.17 0.50 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1wfo s ARG 66 CO 0.04 -0.47 0.88 -0.51 -1.08 0.00 0.00 175.30 174.16 1wfo s LEU 67 N -2.81 4.10 0.46 -1.89 1.43 -1.26 -1.16 118.68 117.55 1wfo s LEU 67 Ca 0.04 1.15 0.18 0.00 -1.03 0.00 0.00 54.13 54.46 1wfo s LEU 67 Cb 0.01 -3.29 1.16 0.00 0.03 0.00 0.00 46.19 44.10 1wfo s LEU 67 CO -0.10 -0.54 1.97 -1.13 0.23 0.00 0.00 176.35 176.77 1wfo h ASN 68 N 7.57 0.25 -3.08 2.29 -1.24 -1.36 -3.33 115.58 116.68 1wfo h ASN 68 Ca -0.23 0.01 -0.55 0.00 0.71 0.00 0.00 56.30 56.24 1wfo h ASN 68 Cb 1.09 -0.04 -0.40 0.00 0.73 0.00 0.00 38.32 39.70 1wfo h ASN 68 CO 0.90 0.14 -0.76 0.42 -1.29 0.00 0.00 177.43 176.83 1wfo s THR 69 N -5.27 0.55 0.00 -3.57 -4.23 -1.26 -5.09 115.64 96.76 1wfo s THR 69 Ca -0.07 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1wfo s THR 69 Cb 0.20 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1wfo s THR 69 CO 0.75 -0.59 0.00 1.07 -0.54 0.00 0.00 174.62 175.31 1wfo n THR 70 N 5.00 0.00 -4.24 3.99 5.66 -1.25 -4.93 114.28 118.50 1wfo n THR 70 Ca -0.05 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.79 1wfo n THR 70 Cb 0.43 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 1wfo n THR 70 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wfo s THR 71 N -2.18 1.28 -4.45 1.09 2.01 -1.26 -5.08 115.64 107.05 1wfo s THR 71 Ca 0.00 -1.82 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1wfo s THR 71 Cb 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1wfo s THR 71 CO 0.00 -0.52 0.00 0.00 -0.69 0.00 0.00 174.62 173.41 1wfo n ALA 72 N 0.31 0.00 -0.13 7.40 0.00 -1.26 -5.03 120.51 121.80 1wfo n ALA 72 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1wfo n ALA 72 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1wfo n ALA 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wfo n ASN 73 N 2.24 1.92 -0.72 0.00 5.15 -1.26 -5.09 115.26 117.49 1wfo n ASN 73 Ca 0.00 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1wfo n ASN 73 Cb 0.00 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 1wfo n ASN 73 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wfo n THR 74 N -4.27 0.00 -4.91 -0.44 -2.24 -1.26 -5.16 114.28 96.00 1wfo n THR 74 Ca -0.45 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 1wfo n THR 74 Cb 0.80 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.54 2.40 -0.81 6.98 0.00 -1.26 -5.04 121.76 122.48 1wfo s ALA 75 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 1wfo s ALA 75 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1wfo s ALA 75 CO 0.00 0.21 1.62 0.99 0.00 0.00 0.00 175.76 178.57 1wfo s THR 76 N 0.44 3.62 0.27 0.00 2.01 -1.25 -4.89 115.64 115.84 1wfo s THR 76 Ca -0.13 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 1wfo s THR 76 Cb -0.17 -4.50 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 1wfo s THR 76 CO 0.06 -1.44 0.77 0.68 -0.69 0.00 0.00 174.62 174.00 1wfo s VAL 77 N 7.36 4.54 -0.05 3.82 -7.23 -1.26 -3.99 120.40 123.59 1wfo s VAL 77 Ca 0.54 1.28 0.06 0.00 -1.81 0.00 0.00 61.98 62.04 1wfo s VAL 77 Cb -0.07 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.06 1wfo s VAL 77 CO 0.07 0.07 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.99 1wfo s GLU 78 N -2.31 2.47 -0.17 4.82 2.12 -0.60 -4.94 118.70 120.09 1wfo s GLU 78 Ca 0.48 -0.88 -0.14 0.00 0.36 0.00 0.00 54.97 54.78 1wfo s GLU 78 Cb -0.15 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 1wfo s GLU 78 CO 0.20 0.44 0.31 0.08 -0.54 0.00 0.00 175.26 175.76 1wfo s VAL 79 N -0.31 5.28 0.46 3.70 1.01 -1.26 0.80 120.40 130.08 1wfo s VAL 79 Ca 0.01 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.64 1wfo s VAL 79 Cb -0.13 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1wfo s VAL 79 CO 0.02 0.36 0.40 -0.76 0.00 0.00 0.00 175.10 175.13 1wfo s LEU 80 N 0.65 3.19 0.83 3.92 1.43 0.52 -4.90 118.68 124.32 1wfo s LEU 80 Ca 0.17 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 1wfo s LEU 80 Cb -0.13 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.39 1wfo s LEU 80 CO 0.05 -0.81 1.14 0.00 0.23 0.00 0.00 176.35 176.97 1wfo s ALA 81 N -2.57 2.32 -1.58 4.21 0.00 -1.26 0.29 121.76 123.18 1wfo s ALA 81 Ca 0.45 -0.51 0.23 0.00 0.00 0.00 0.00 51.96 52.14 1wfo s ALA 81 Cb -0.03 -3.01 1.22 0.00 0.00 0.00 0.00 23.12 21.30 1wfo s ALA 81 CO 0.27 -1.83 1.75 -0.35 0.00 0.00 0.00 175.76 175.60 1wfo n PRO 82 N -3.45 0.43 -1.09 0.00 -0.04 -1.23 -2.60 135.00 127.02 1wfo n PRO 82 Ca 0.07 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 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 -1.21 2.93 -4.31 3.54 3.41 -1.26 -4.85 113.62 111.86 1wfo n SER 83 Ca 0.13 -3.85 -0.35 0.00 -0.26 0.00 0.00 58.87 54.54 1wfo n SER 83 Cb 0.16 -0.49 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.37 2.78 -0.05 7.33 0.00 -1.07 -4.95 121.76 122.44 1wfo s ALA 84 Ca 0.43 -1.13 0.14 0.00 0.00 0.00 0.00 51.96 51.40 1wfo s ALA 84 Cb 0.39 -1.63 -0.21 0.00 0.00 0.00 0.00 23.12 21.67 1wfo s ALA 84 CO -0.03 -0.34 0.25 0.54 0.00 0.00 0.00 175.76 176.18 1wfo n ARG 85 N 4.63 0.78 -4.51 0.00 3.00 -1.26 -4.92 116.66 114.37 1wfo n ARG 85 Ca -0.18 -0.10 -0.24 0.00 -0.01 0.00 0.00 57.85 57.32 1wfo n ARG 85 Cb 0.51 -1.34 -0.10 0.00 0.00 0.00 0.00 32.46 31.53 1wfo n ARG 85 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wfo s GLN 86 N -2.82 1.79 0.14 5.56 -0.21 -1.26 0.36 119.66 123.22 1wfo s GLN 86 Ca -0.06 -2.03 -0.24 0.00 0.02 0.00 0.00 55.36 53.06 1wfo s GLN 86 Cb 0.08 -0.99 0.07 0.00 1.00 0.00 0.00 33.01 33.17 1wfo s GLN 86 CO 0.58 -0.23 0.62 -0.47 -2.12 0.00 0.00 175.29 173.67 1wfo s TYR 87 N -3.16 -0.53 -0.09 0.91 5.04 -1.08 -4.99 117.35 113.45 1wfo s TYR 87 Ca 0.32 0.36 0.04 0.00 -2.44 0.00 0.00 57.07 55.34 1wfo s TYR 87 Cb 0.07 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.94 1wfo s TYR 87 CO 0.15 -0.82 -0.22 0.99 -1.34 0.00 0.00 175.55 174.30 1wfo s THR 88 N -3.61 1.91 -0.27 4.34 2.01 -1.26 -2.89 115.64 115.86 1wfo s THR 88 Ca 0.01 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1wfo s THR 88 Cb -0.01 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1wfo s THR 88 CO -0.12 0.53 0.01 0.00 -0.69 0.00 0.00 174.62 174.35 1wfo s ALA 89 N 0.34 2.88 0.15 7.40 0.00 -0.25 -4.98 121.76 127.28 1wfo s ALA 89 Ca -0.17 -1.46 0.09 0.00 0.00 0.00 0.00 51.96 50.43 1wfo s ALA 89 Cb -0.17 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1wfo s ALA 89 CO 0.08 -0.87 -0.16 0.95 0.00 0.00 0.00 175.76 175.75 1wfo s THR 90 N 1.41 2.89 0.00 0.00 -4.23 -1.26 -0.42 115.64 114.02 1wfo s THR 90 Ca 0.01 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1wfo s THR 90 Cb -0.17 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1wfo s THR 90 CO -0.01 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1wfo n GLY 91 N 0.47 0.69 3.29 3.99 0.00 -0.60 -4.96 105.19 108.07 1wfo n GLY 91 Ca -0.14 -0.38 -0.29 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 -2.46 2.10 0.04 0.99 1.43 -1.24 -5.03 118.68 114.50 1wfo s LEU 92 Ca 0.00 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1wfo s LEU 92 Cb 0.00 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1wfo s LEU 92 CO 0.00 0.27 1.19 -0.75 0.23 0.00 0.00 176.35 177.29 1wfo s LYS 93 N -0.84 4.43 0.72 1.70 2.20 -1.26 -3.42 119.74 123.27 1wfo s LYS 93 Ca 0.10 1.74 -0.11 0.00 -0.36 0.00 0.00 55.97 57.34 1wfo s LYS 93 Cb -0.09 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 1wfo s LYS 93 CO 0.00 -0.27 1.07 -1.25 -0.36 0.00 0.00 175.35 174.54 1wfo s PRO 94 N 1.23 2.72 -0.88 4.03 0.04 -1.26 -4.13 135.00 136.75 1wfo s PRO 94 Ca 0.58 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1wfo s PRO 94 Cb -0.28 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1wfo s PRO 94 CO 0.28 -1.23 0.74 0.39 0.04 0.00 0.00 177.00 177.22 1wfo n GLU 95 N -3.21 -4.91 -2.15 4.56 -0.58 0.17 -4.97 120.64 109.54 1wfo n GLU 95 Ca 0.07 0.60 -0.04 0.00 -0.42 0.00 0.00 57.16 57.38 1wfo n GLU 95 Cb 0.54 -4.90 0.01 0.00 -0.57 0.00 0.00 31.44 26.52 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfo n SER 96 N -2.36 -0.79 -4.13 1.62 7.64 -1.25 -4.98 113.62 109.37 1wfo n SER 96 Ca -0.17 -1.63 -0.24 0.00 1.01 0.00 0.00 58.87 57.84 1wfo n SER 96 Cb 0.61 1.35 -0.15 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 -2.64 1.24 -0.04 0.44 1.01 -1.26 -1.27 120.40 117.88 1wfo s VAL 97 Ca 0.07 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1wfo s VAL 97 Cb -0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1wfo s VAL 97 CO 0.05 0.35 -0.19 -0.31 0.00 0.00 0.00 175.10 175.00 1wfo s TYR 98 N -0.30 1.87 -0.28 5.22 1.51 0.15 -0.89 117.35 124.63 1wfo s TYR 98 Ca 0.05 -0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 55.48 1wfo s TYR 98 Cb -0.07 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1wfo s TYR 98 CO -0.00 -0.14 0.31 -1.17 -1.11 0.00 0.00 175.55 173.43 1wfo s LEU 99 N -0.14 4.07 -0.35 -1.29 1.98 -0.31 0.19 118.68 122.82 1wfo s LEU 99 Ca -0.00 0.13 -0.11 0.00 -2.89 0.00 0.00 54.13 51.26 1wfo s LEU 99 Cb -0.11 -2.31 0.01 0.00 0.66 0.00 0.00 46.19 44.45 1wfo s LEU 99 CO 0.02 -0.15 0.19 -0.36 -1.89 0.00 0.00 176.35 174.16 1wfo s PHE 100 N 1.95 3.22 -0.35 5.38 0.40 0.54 -3.28 117.98 125.85 1wfo s PHE 100 Ca 0.12 -0.80 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 1wfo s PHE 100 Cb -0.16 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 40.97 1wfo s PHE 100 CO 0.10 -0.57 0.19 0.50 0.70 0.00 0.00 175.22 176.14 1wfo s ARG 101 N 1.58 3.06 -0.12 0.44 3.52 -0.64 0.33 118.95 127.12 1wfo s ARG 101 Ca 0.03 -0.92 -0.11 0.00 -0.13 0.00 0.00 55.73 54.61 1wfo s ARG 101 Cb -0.18 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 1wfo s ARG 101 CO 0.07 -0.58 0.23 0.42 -0.81 0.00 0.00 175.30 174.63 1wfo s ILE 102 N 1.59 5.35 0.11 4.11 1.01 0.13 -1.38 121.20 132.11 1wfo s ILE 102 Ca 0.03 0.41 -0.08 0.00 0.00 0.00 0.00 60.65 61.01 1wfo s ILE 102 Cb -0.18 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1wfo s ILE 102 CO 0.07 0.53 0.20 -0.89 0.00 0.00 0.00 174.94 174.84 1wfo s THR 103 N -0.46 0.13 0.23 2.92 2.01 0.10 0.12 115.64 120.68 1wfo s THR 103 Ca 0.16 -1.28 0.11 0.00 0.31 0.00 0.00 61.69 60.99 1wfo s THR 103 Cb -0.13 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1wfo s THR 103 CO 0.05 -0.58 -0.16 0.00 -0.69 0.00 0.00 174.62 173.25 1wfo s ALA 104 N -3.90 2.80 -0.14 7.40 0.00 -1.26 0.04 121.76 126.71 1wfo s ALA 104 Ca 0.09 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.38 1wfo s ALA 104 Cb 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1wfo s ALA 104 CO -0.08 0.36 -0.22 -1.14 0.00 0.00 0.00 175.76 174.68 1wfo s GLN 105 N -3.17 3.03 0.00 0.00 0.74 0.34 -3.37 119.66 117.23 1wfo s GLN 105 Ca 0.27 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.82 1wfo s GLN 105 Cb -0.07 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1wfo s GLN 105 CO 0.14 0.01 0.00 0.25 -0.55 0.00 0.00 175.29 175.14 1wfo n THR 106 N 4.01 0.00 0.59 -0.34 -2.24 0.84 0.22 114.28 117.35 1wfo n THR 106 Ca -0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1wfo n THR 106 Cb 0.52 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.20 1wfo n THR 106 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfo n ARG 107 N 0.00 0.15 -0.07 -0.78 1.85 -1.26 -2.82 116.66 113.72 1wfo n ARG 107 Ca 0.00 0.26 -0.14 0.00 -1.00 0.00 0.00 57.85 56.96 1wfo n ARG 107 Cb 0.00 -1.72 -0.14 0.00 -1.05 0.00 0.00 32.46 29.55 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 -1.98 0.68 0.00 2.89 4.76 -1.26 -5.10 118.16 118.15 1wfo n LYS 108 Ca 0.04 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1wfo n LYS 108 Cb 0.30 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.90 0.28 3.50 0.72 0.00 -1.13 -4.95 105.19 105.51 1wfo n GLY 109 Ca -0.33 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 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 3.12 0.00 1.61 0.52 -1.26 -0.11 118.94 118.82 1wfo s TRP 110 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1wfo s TRP 110 Cb 0.00 -2.20 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 1wfo s TRP 110 CO 0.00 -0.22 0.00 0.41 0.02 0.00 0.00 176.95 177.16 1wfo n GLY 111 N 4.58 0.88 3.28 0.98 0.00 -1.22 -4.97 105.19 108.73 1wfo n GLY 111 Ca -0.16 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.35 -4.12 1.61 4.71 -1.12 -4.77 120.64 116.60 1wfo n GLU 112 Ca 0.00 -0.08 -0.17 0.00 -0.01 0.00 0.00 57.16 56.90 1wfo n GLU 112 Cb 0.00 -1.60 -0.15 0.00 -1.01 0.00 0.00 31.44 28.68 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 -2.27 0.48 -0.25 0.62 0.00 -1.26 -4.39 121.76 114.70 1wfo s ALA 113 Ca 0.52 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1wfo s ALA 113 Cb -0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1wfo s ALA 113 CO 0.71 0.04 0.50 0.00 0.00 0.00 0.00 175.76 177.01 1wfo s ALA 114 N 0.40 3.58 -0.23 0.00 0.00 0.12 -4.84 121.76 120.78 1wfo s ALA 114 Ca -0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1wfo s ALA 114 Cb -0.08 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1wfo s ALA 114 CO -0.00 -0.66 0.17 -1.21 0.00 0.00 0.00 175.76 174.06 1wfo s GLU 115 N 2.12 4.09 -0.04 0.00 2.02 -1.26 0.18 118.70 125.81 1wfo s GLU 115 Ca 0.21 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1wfo s GLU 115 Cb -0.16 -3.53 0.03 0.00 0.10 0.00 0.00 34.13 30.57 1wfo s GLU 115 CO 0.09 0.08 -0.01 0.00 0.02 0.00 0.00 175.26 175.43 1wfo s ALA 116 N 1.01 0.54 0.20 5.21 0.00 0.15 -4.94 121.76 123.94 1wfo s ALA 116 Ca 0.08 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 1wfo s ALA 116 Cb -0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 1wfo s ALA 116 CO 0.04 -0.15 0.49 -0.51 0.00 0.00 0.00 175.76 175.63 1wfo s LEU 117 N 1.23 4.19 -0.18 0.00 1.43 -1.26 0.20 118.68 124.29 1wfo s LEU 117 Ca -0.07 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 53.72 1wfo s LEU 117 Cb -0.13 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.60 1wfo s LEU 117 CO -0.02 -0.04 0.45 0.54 0.23 0.00 0.00 176.35 177.51 1wfo s VAL 118 N -1.78 -0.02 0.33 -1.59 0.11 0.13 -4.93 120.40 112.65 1wfo s VAL 118 Ca 0.45 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.50 1wfo s VAL 118 Cb -0.11 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.02 1wfo s VAL 118 CO 0.23 0.03 0.63 -0.69 -3.33 0.00 0.00 175.10 171.98 1wfo s VAL 119 N 1.36 4.93 -0.31 2.04 1.01 -1.26 0.31 120.40 128.48 1wfo s VAL 119 Ca -0.09 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1wfo s VAL 119 Cb -0.08 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1wfo s VAL 119 CO -0.13 -0.38 0.10 0.42 0.00 0.00 0.00 175.10 175.12 1wfo s THR 120 N -2.17 4.07 -0.04 3.92 -4.23 -0.40 -4.81 115.64 111.97 1wfo s THR 120 Ca 0.47 -0.74 -0.31 0.00 -1.18 0.00 0.00 61.69 59.93 1wfo s THR 120 Cb -0.11 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.72 1wfo s THR 120 CO 0.30 0.01 1.34 0.28 -0.54 0.00 0.00 174.62 176.01 1wfo s THR 121 N 1.50 0.00 -0.09 3.99 -1.32 -1.20 0.42 115.64 118.94 1wfo s THR 121 Ca 0.02 -0.14 0.15 0.00 -1.21 0.00 0.00 61.69 60.51 1wfo s THR 121 Cb -0.18 -2.05 -0.21 0.00 -1.51 0.00 0.00 72.50 68.55 1wfo s THR 121 CO 0.03 0.00 0.60 -0.62 -2.21 0.00 0.00 174.62 172.42 1wfo n GLU 122 N -0.52 0.64 -2.46 7.08 1.02 -1.26 -4.24 120.64 120.90 1wfo n GLU 122 Ca -0.08 0.21 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1wfo n GLU 122 Cb 0.63 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.69 4.03 0.19 3.49 3.01 -1.26 -4.98 119.74 121.53 1wfo s LYS 123 Ca -0.05 1.32 -0.30 0.00 -1.01 0.00 0.00 55.97 55.93 1wfo s LYS 123 Cb 0.08 -3.82 -0.09 0.00 -1.01 0.00 0.00 37.83 32.99 1wfo s LYS 123 CO 0.82 -0.97 1.30 1.03 0.51 0.00 0.00 175.35 178.04 1wfo s ARG 124 N 3.89 4.40 -0.06 1.68 3.00 -1.26 -5.02 118.95 125.58 1wfo s ARG 124 Ca 0.54 2.03 -0.04 0.00 0.00 0.00 0.00 55.73 58.26 1wfo s ARG 124 Cb -0.17 -3.20 0.03 0.00 0.00 0.00 0.00 34.95 31.61 1wfo s ARG 124 CO 0.19 -0.24 0.15 0.45 0.00 0.00 0.00 175.30 175.86 1wfo s SER 125 N 0.33 -0.14 -0.30 0.23 0.15 -1.26 -5.12 113.70 107.60 1wfo s SER 125 Ca 0.56 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.51 1wfo s SER 125 Cb -0.36 0.25 0.19 0.00 -1.71 0.00 0.00 66.02 64.40 1wfo s SER 125 CO 0.38 -0.10 0.73 -0.83 1.20 0.00 0.00 173.24 174.62 1wfo s GLY 126 N 0.66 -1.03 0.10 9.45 0.00 -1.26 -5.03 107.32 110.21 1wfo s GLY 126 Ca -0.05 1.65 -0.11 0.00 0.00 0.00 0.00 44.72 46.22 1wfo s GLY 126 CO -0.03 3.71 1.27 -0.56 0.00 0.00 0.00 173.10 177.48 1wfo h PRO 127 N 7.86 0.65 -4.81 2.90 0.13 -2.07 -3.49 132.00 133.17 1wfo h PRO 127 Ca -0.09 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1wfo h PRO 127 Cb 1.18 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1wfo h PRO 127 CO 0.10 1.24 -0.95 0.43 -0.23 0.00 0.00 178.00 178.59 1wfo n SER 128 N -3.85 -5.64 0.00 1.44 7.64 -1.26 -5.07 113.62 106.88 1wfo n SER 128 Ca -0.09 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1wfo n SER 128 Cb 0.82 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1wfo n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfo n SER 129 N 1.90 0.00 0.00 6.43 7.64 -1.26 -5.35 113.62 122.98 1wfo n SER 129 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1wfo n SER 129 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64