#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 5.11 -0.44 1.61 1.04 -1.26 -5.06 113.70 114.70 1wfo s SER 2 Ca 0.00 -1.46 -0.29 0.00 0.48 0.00 0.00 55.95 54.69 1wfo s SER 2 Cb 0.00 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.35 1wfo s SER 2 CO 0.00 -0.36 1.31 -0.94 0.98 0.00 0.00 173.24 174.22 1wfo s SER 3 N 1.47 6.45 0.51 7.02 1.04 -1.26 -4.64 113.70 124.29 1wfo s SER 3 Ca -0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1wfo s SER 3 Cb -0.21 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1wfo s SER 3 CO -0.01 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.45 1wfo n GLY 4 N 5.00 1.34 3.24 7.32 0.00 -1.26 -4.99 105.19 115.85 1wfo n GLY 4 Ca 0.15 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 1wfo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfo n SER 5 N 5.34 -6.38 0.14 1.61 7.64 -1.26 -4.91 113.62 115.80 1wfo n SER 5 Ca 0.00 0.31 -0.08 0.00 1.01 0.00 0.00 58.87 60.11 1wfo n SER 5 Cb 0.00 -1.60 -0.04 0.00 -1.01 0.00 0.00 64.21 61.56 1wfo n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfo h SER 6 N 3.33 -0.37 0.00 6.43 0.02 -1.98 -3.47 113.55 117.50 1wfo h SER 6 Ca -0.10 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1wfo h SER 6 Cb 1.07 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1wfo h SER 6 CO 0.04 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1wfo n GLY 7 N 0.54 3.50 2.84 -3.77 0.00 -1.26 -4.95 105.19 102.09 1wfo n GLY 7 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1wfo n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfo n ARG 8 N 14.00 -2.81 -4.11 1.61 5.12 -1.26 -4.98 116.66 124.24 1wfo n ARG 8 Ca 0.00 2.33 -0.36 0.00 -1.93 0.00 0.00 57.85 57.90 1wfo n ARG 8 Cb 0.00 -3.80 -0.07 0.00 -1.16 0.00 0.00 32.46 27.43 1wfo n ARG 8 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wfo s ILE 9 N -1.06 4.94 0.82 0.55 -1.09 -1.26 -5.05 121.20 119.04 1wfo s ILE 9 Ca -0.07 -0.05 -0.12 0.00 -2.23 0.00 0.00 60.65 58.18 1wfo s ILE 9 Cb 0.00 -3.14 0.08 0.00 -1.58 0.00 0.00 42.46 37.83 1wfo s ILE 9 CO 0.52 0.58 1.18 -0.83 -1.23 0.00 0.00 174.94 175.17 1wfo s GLY 10 N -1.06 1.60 -0.21 6.18 0.00 -1.26 -5.05 107.32 107.52 1wfo s GLY 10 Ca 0.15 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 1wfo s GLY 10 CO 0.05 -0.17 0.54 0.99 0.00 0.00 0.00 173.10 174.51 1wfo s ASP 11 N -4.59 -0.60 0.04 1.64 1.01 -1.26 -4.85 116.67 108.06 1wfo s ASP 11 Ca 0.62 1.12 0.03 0.00 0.71 0.00 0.00 52.55 55.03 1wfo s ASP 11 Cb -0.11 1.10 -0.04 0.00 1.01 0.00 0.00 42.92 44.89 1wfo s ASP 11 CO 0.49 -0.20 0.00 -0.83 0.21 0.00 0.00 175.17 174.85 1wfo s GLY 12 N 0.55 1.90 -0.10 0.21 0.00 -1.26 -4.93 107.32 103.68 1wfo s GLY 12 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1wfo s GLY 12 CO -0.03 -0.94 -0.21 -1.35 0.00 0.00 0.00 173.10 170.57 1wfo s SER 13 N -1.90 2.85 -0.86 1.64 1.04 -1.26 -5.02 113.70 110.19 1wfo s SER 13 Ca 0.23 -0.52 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 1wfo s SER 13 Cb -0.12 -1.31 -0.11 0.00 0.10 0.00 0.00 66.02 64.59 1wfo s SER 13 CO 0.14 0.11 2.59 -0.81 0.98 0.00 0.00 173.24 176.25 1wfo n PRO 14 N 3.74 2.41 -3.63 4.02 -0.04 -1.26 -4.70 135.00 135.54 1wfo n PRO 14 Ca -0.20 -1.47 -0.04 0.00 -0.04 0.00 0.00 63.50 61.75 1wfo n PRO 14 Cb 0.52 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 1wfo n PRO 14 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfo s SER 15 N 2.69 -0.10 -0.11 3.54 1.04 -1.26 -5.16 113.70 114.34 1wfo s SER 15 Ca 0.52 0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.99 1wfo s SER 15 Cb 0.17 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1wfo s SER 15 CO -0.03 -0.09 0.14 -1.00 0.98 0.00 0.00 173.24 173.23 1wfo s HIS 16 N -1.07 3.58 0.97 5.02 3.76 -1.26 -5.10 115.29 121.18 1wfo s HIS 16 Ca 0.07 0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 55.34 1wfo s HIS 16 Cb -0.01 -1.92 0.18 0.00 1.11 0.00 0.00 32.58 31.93 1wfo s HIS 16 CO -0.06 0.72 1.17 -1.25 -0.85 0.00 0.00 174.74 174.47 1wfo s PRO 17 N -1.12 0.64 0.83 8.40 0.04 -1.26 -5.05 135.00 137.47 1wfo s PRO 17 Ca 0.16 0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 1wfo s PRO 17 Cb -0.12 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1wfo s PRO 17 CO 0.06 -2.50 1.11 -1.25 0.04 0.00 0.00 177.00 174.45 1wfo s PRO 18 N -5.41 1.82 0.55 0.56 0.04 -1.26 -4.86 135.00 126.43 1wfo s PRO 18 Ca 0.67 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1wfo s PRO 18 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wfo s PRO 18 CO 0.54 -1.78 0.00 -0.89 0.04 0.00 0.00 177.00 174.90 1wfo n ILE 19 N -3.53 -4.29 -3.10 0.56 5.41 -1.26 -4.96 119.36 108.20 1wfo n ILE 19 Ca 0.07 2.00 -0.18 0.00 1.00 0.00 0.00 62.75 65.63 1wfo n ILE 19 Cb 0.57 -2.92 -0.04 0.00 -0.71 0.00 0.00 39.64 36.54 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 -1.60 -1.27 -3.58 1.39 0.00 -1.26 -4.89 117.00 105.78 1wfo n LEU 20 Ca 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 56.01 51.95 1wfo n LEU 20 Cb 0.20 0.67 -0.02 0.00 0.00 0.00 0.00 43.42 44.27 1wfo n LEU 20 CO 0.00 1.96 0.92 -1.61 0.00 0.00 0.00 177.39 178.67 1wfo s GLU 21 N -0.06 0.48 -1.21 1.96 0.41 -1.26 -5.06 118.70 113.96 1wfo s GLU 21 Ca 0.33 -0.20 -0.19 0.00 -0.41 0.00 0.00 54.97 54.50 1wfo s GLU 21 Cb 0.11 0.21 -0.02 0.00 -1.78 0.00 0.00 34.13 32.65 1wfo s GLU 21 CO -0.15 -0.21 1.92 -2.13 -0.49 0.00 0.00 175.26 174.19 1wfo n ARG 22 N -0.19 2.41 -0.02 1.61 0.63 -1.26 -4.69 116.66 115.15 1wfo n ARG 22 Ca -0.03 -2.70 -0.13 0.00 -0.92 0.00 0.00 57.85 54.08 1wfo n ARG 22 Cb 0.60 -3.43 -0.09 0.00 0.45 0.00 0.00 32.46 29.99 1wfo n ARG 22 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1wfo h THR 23 N 5.26 1.33 -3.58 5.15 2.02 -1.97 -3.45 112.91 117.68 1wfo h THR 23 Ca 0.40 -1.05 -0.67 0.00 0.77 0.00 0.00 66.41 65.86 1wfo h THR 23 Cb 0.81 1.94 -0.20 0.00 -1.74 0.00 0.00 68.15 68.96 1wfo h THR 23 CO 1.56 0.29 -0.84 -0.76 0.37 0.00 0.00 175.52 176.13 1wfo s LEU 24 N -9.31 2.43 -0.19 2.58 2.01 -1.26 -5.11 118.68 109.82 1wfo s LEU 24 Ca -0.15 -0.77 -0.20 0.00 0.01 0.00 0.00 54.13 53.02 1wfo s LEU 24 Cb 0.03 -1.25 -0.03 0.00 0.01 0.00 0.00 46.19 44.95 1wfo s LEU 24 CO 0.69 0.15 0.61 1.51 1.01 0.00 0.00 176.35 180.32 1wfo s ASP 25 N -2.33 6.68 0.00 2.29 -4.77 -1.26 -4.75 116.67 112.53 1wfo s ASP 25 Ca 0.17 0.82 0.00 0.00 -3.30 0.00 0.00 52.55 50.25 1wfo s ASP 25 Cb -0.09 -2.34 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1wfo s ASP 25 CO 0.08 -0.23 0.00 -0.90 0.70 0.00 0.00 175.17 174.82 1wfo n ASP 26 N 4.86 0.00 -4.09 2.11 5.68 -1.20 -5.12 116.55 118.80 1wfo n ASP 26 Ca -0.02 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.91 1wfo n ASP 26 Cb 0.50 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.53 1wfo n ASP 26 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1wfo n VAL 27 N -0.49 0.05 -1.50 2.12 0.24 -1.26 -4.41 118.33 113.07 1wfo n VAL 27 Ca 0.00 -0.46 -0.30 0.00 -2.04 0.00 0.00 64.34 61.54 1wfo n VAL 27 Cb 0.00 -0.10 0.23 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.16 -0.61 0.10 7.34 0.04 -1.18 -4.80 135.00 133.73 1wfo s PRO 28 Ca 0.44 -0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.13 1wfo s PRO 28 Cb -0.21 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1wfo s PRO 28 CO 0.79 -3.26 0.13 0.41 0.04 0.00 0.00 177.00 175.12 1wfo n GLY 29 N -2.41 1.43 3.75 0.56 0.00 -1.21 -2.56 105.19 104.75 1wfo n GLY 29 Ca 0.16 -2.07 -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 -2.57 4.61 -0.40 1.61 0.04 -1.26 -4.13 135.00 132.90 1wfo s PRO 30 Ca 0.10 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1wfo s PRO 30 Cb -0.01 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1wfo s PRO 30 CO 0.06 0.12 1.40 -1.25 0.04 0.00 0.00 177.00 177.37 1wfo s PRO 31 N -0.76 3.62 0.44 0.56 0.04 -1.26 -4.68 135.00 132.95 1wfo s PRO 31 Ca 0.48 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 1wfo s PRO 31 Cb -0.30 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.20 1wfo s PRO 31 CO 0.37 -1.51 0.69 0.00 0.04 0.00 0.00 177.00 176.59 1wfo s MET 32 N 4.84 3.41 0.00 4.56 0.23 -1.25 -4.56 119.30 126.53 1wfo s MET 32 Ca 0.61 -0.11 0.00 0.00 -1.03 0.00 0.00 55.69 55.16 1wfo s MET 32 Cb -0.14 -2.50 0.00 0.00 -1.53 0.00 0.00 34.83 30.66 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 -2.08 0.50 3.65 3.16 0.00 -1.26 -2.73 105.19 106.43 1wfo n GLY 33 Ca -0.01 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 5.21 0.01 -0.61 -1.09 -1.26 -3.89 121.20 117.29 1wfo s ILE 34 Ca 0.00 0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 58.93 1wfo s ILE 34 Cb 0.00 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1wfo s ILE 34 CO 0.00 0.23 0.24 -0.76 -1.23 0.00 0.00 174.94 173.42 1wfo s LEU 35 N 1.51 1.16 -0.57 2.97 1.43 -0.87 -5.02 118.68 119.29 1wfo s LEU 35 Ca 0.17 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1wfo s LEU 35 Cb -0.15 1.04 0.15 0.00 0.03 0.00 0.00 46.19 47.26 1wfo s LEU 35 CO 0.08 -0.46 0.36 -0.36 0.23 0.00 0.00 176.35 176.20 1wfo s PHE 36 N -1.69 3.38 -0.07 0.29 0.08 -1.26 -1.18 117.98 117.53 1wfo s PHE 36 Ca -0.12 -2.83 -0.26 0.00 0.12 0.00 0.00 56.93 53.84 1wfo s PHE 36 Cb -0.05 -3.09 -0.23 0.00 -0.57 0.00 0.00 43.02 39.08 1wfo s PHE 36 CO 0.01 -0.83 1.03 -1.00 -0.10 0.00 0.00 175.22 174.33 1wfo h PRO 37 N 6.98 0.06 -4.95 0.24 0.13 -1.94 -3.43 132.00 129.10 1wfo h PRO 37 Ca -0.04 -0.06 -0.67 0.00 -0.87 0.00 0.00 66.00 64.36 1wfo h PRO 37 Cb 0.95 0.02 -0.30 0.00 0.13 0.00 0.00 31.00 31.79 1wfo h PRO 37 CO 0.70 0.80 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.53 1wfo s GLU 38 N -3.23 3.10 -0.05 0.86 2.12 -1.08 -5.05 118.70 115.38 1wfo s GLU 38 Ca -0.17 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.34 1wfo s GLU 38 Cb -0.00 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.43 1wfo s GLU 38 CO 0.70 -0.30 0.09 0.08 -0.54 0.00 0.00 175.26 175.29 1wfo s VAL 39 N 1.40 -0.13 0.00 3.70 1.01 -1.26 0.20 120.40 125.33 1wfo s VAL 39 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1wfo s VAL 39 Cb -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1wfo s VAL 39 CO -0.04 0.14 0.00 0.54 0.00 0.00 0.00 175.10 175.74 1wfo n ARG 40 N 4.92 1.86 0.00 2.72 5.12 0.49 -4.74 116.66 127.03 1wfo n ARG 40 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfo n THR 41 N -0.26 0.00 -0.22 0.55 -2.24 -1.26 -3.33 114.28 107.52 1wfo n THR 41 Ca 0.00 0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1wfo n THR 41 Cb 0.00 -0.90 0.07 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.44 2.18 -3.61 4.28 -2.24 -1.25 -4.06 114.28 109.14 1wfo n THR 42 Ca 0.00 -1.05 -0.05 0.00 -2.27 0.00 0.00 64.05 60.68 1wfo n THR 42 Cb 0.00 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 67.28 1wfo n THR 42 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfo s SER 43 N 0.04 -0.17 0.36 3.42 1.04 -1.26 -0.24 113.70 116.89 1wfo s SER 43 Ca 0.27 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.77 1wfo s SER 43 Cb 0.22 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1wfo s SER 43 CO 0.04 -0.17 0.62 0.68 0.98 0.00 0.00 173.24 175.38 1wfo s VAL 44 N -1.24 0.00 -0.29 5.02 -7.23 -0.50 0.18 120.40 116.33 1wfo s VAL 44 Ca 0.05 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 1wfo s VAL 44 Cb -0.01 -2.72 0.19 0.00 0.56 0.00 0.00 36.38 34.41 1wfo s VAL 44 CO -0.04 0.00 0.59 -0.60 -0.31 0.00 0.00 175.10 174.74 1wfo s ARG 45 N -2.77 0.56 0.42 4.82 3.52 0.54 -0.35 118.95 125.69 1wfo s ARG 45 Ca 0.23 0.72 0.08 0.00 -0.13 0.00 0.00 55.73 56.63 1wfo s ARG 45 Cb -0.03 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.70 1wfo s ARG 45 CO 0.16 -0.88 0.45 -0.48 -0.81 0.00 0.00 175.30 173.74 1wfo s LEU 46 N 2.83 3.46 0.04 -0.88 2.34 -1.10 -2.62 118.68 122.75 1wfo s LEU 46 Ca 0.14 -0.65 0.01 0.00 0.06 0.00 0.00 54.13 53.69 1wfo s LEU 46 Cb -0.12 -2.23 -0.03 0.00 -0.56 0.00 0.00 46.19 43.26 1wfo s LEU 46 CO -0.24 -0.72 -0.06 0.27 -1.06 0.00 0.00 176.35 174.55 1wfo s ILE 47 N -2.44 0.38 0.15 1.48 -0.00 -0.32 -2.28 121.20 118.16 1wfo s ILE 47 Ca 0.50 -1.17 0.02 0.00 -0.00 0.00 0.00 60.65 60.00 1wfo s ILE 47 Cb -0.05 -0.67 -0.01 0.00 -0.00 0.00 0.00 42.46 41.73 1wfo s ILE 47 CO 0.30 -0.53 0.17 -2.67 -0.00 0.00 0.00 174.94 172.21 1wfo n TRP 48 N 1.24 -0.58 -4.09 1.37 2.14 0.98 -2.04 117.44 116.47 1wfo n TRP 48 Ca -0.21 -1.19 -0.08 0.00 2.07 0.00 0.00 57.50 58.09 1wfo n TRP 48 Cb 0.56 0.18 -0.10 0.00 -0.81 0.00 0.00 31.31 31.14 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 -2.51 0.72 0.50 -2.67 -0.21 -1.11 -4.67 119.66 109.72 1wfo s GLN 49 Ca 0.16 -1.26 -0.20 0.00 0.02 0.00 0.00 55.36 54.09 1wfo s GLN 49 Cb 0.00 0.23 -0.08 0.00 1.00 0.00 0.00 33.01 34.17 1wfo s GLN 49 CO 0.11 -0.17 1.04 -1.25 -2.12 0.00 0.00 175.29 172.91 1wfo s PRO 50 N -3.95 3.75 -0.17 2.91 0.04 -1.26 -3.92 135.00 132.40 1wfo s PRO 50 Ca 0.12 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1wfo s PRO 50 Cb 0.08 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1wfo s PRO 50 CO -0.07 -0.47 1.28 -1.25 0.04 0.00 0.00 177.00 176.53 1wfo s PRO 51 N -3.34 4.20 0.57 0.56 0.04 -1.26 -4.74 135.00 131.02 1wfo s PRO 51 Ca 0.67 1.64 0.42 0.00 0.04 0.00 0.00 61.00 63.77 1wfo s PRO 51 Cb -0.16 -3.79 1.54 0.00 0.04 0.00 0.00 34.50 32.13 1wfo s PRO 51 CO 0.22 -0.76 1.61 0.00 0.04 0.00 0.00 177.00 178.11 1wfo h ALA 52 N 8.38 3.43 -3.16 8.56 0.00 -1.94 -2.34 119.26 132.19 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 0.11 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 1wfo h ALA 52 CO 0.98 -1.97 -0.46 0.00 0.00 0.00 0.00 179.25 177.80 1wfo s ALA 53 N -4.80 3.68 0.14 0.00 0.00 -1.26 -4.66 121.76 114.85 1wfo s ALA 53 Ca -0.05 -3.53 -0.05 0.00 0.00 0.00 0.00 51.96 48.33 1wfo s ALA 53 Cb 0.23 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 1wfo s ALA 53 CO 0.78 -2.09 1.33 -1.00 0.00 0.00 0.00 175.76 174.79 1wfo h PRO 54 N 6.22 0.46 -6.76 0.00 0.13 -1.77 -3.19 132.00 127.10 1wfo h PRO 54 Ca 0.04 -0.45 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 1wfo h PRO 54 Cb 0.85 0.12 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 1wfo h PRO 54 CO 0.73 1.09 -0.87 0.09 -0.23 0.00 0.00 178.00 178.81 1wfo n ASN 55 N -3.80 -1.80 0.00 1.44 3.02 -1.26 -3.07 115.26 109.79 1wfo n ASN 55 Ca -0.06 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1wfo n ASN 55 Cb 0.79 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 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 -1.68 3.39 3.55 7.41 0.00 -1.26 -3.22 105.19 113.38 1wfo n GLY 56 Ca -0.08 -0.12 -0.47 0.00 0.00 0.00 0.00 46.02 45.35 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 0.32 -1.72 -0.61 -0.00 -1.26 -4.86 119.36 111.23 1wfo n ILE 57 Ca 0.00 -0.33 -0.43 0.00 -0.00 0.00 0.00 62.75 61.99 1wfo n ILE 57 Cb 0.00 -2.12 -0.02 0.00 -0.00 0.00 0.00 39.64 37.50 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1wfo n ILE 58 N 7.16 1.16 -0.03 1.39 2.08 -1.26 -4.46 119.36 125.40 1wfo n ILE 58 Ca 0.33 -0.29 0.01 0.00 0.56 0.00 0.00 62.75 63.36 1wfo n ILE 58 Cb 0.34 -1.78 -0.09 0.00 -0.75 0.00 0.00 39.64 37.36 1wfo n ILE 58 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wfo n LEU 59 N 1.90 0.00 0.00 1.39 4.77 0.50 -4.78 117.00 120.79 1wfo n LEU 59 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1wfo n LEU 59 Cb 0.35 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1wfo n LEU 59 CO 0.63 0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.82 1wfo n ALA 60 N -2.14 0.00 -2.86 -1.18 0.00 -1.10 -3.55 120.51 109.68 1wfo n ALA 60 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1wfo n ALA 60 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.00 0.86 -0.02 0.00 1.51 0.29 0.30 117.35 117.30 1wfo s TYR 61 Ca 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.93 1wfo s TYR 61 Cb 0.00 -0.08 0.02 0.00 -0.11 0.00 0.00 41.96 41.79 1wfo s TYR 61 CO 0.00 -1.00 0.02 -1.14 -1.11 0.00 0.00 175.55 172.31 1wfo s GLN 62 N -3.56 0.03 -0.30 -0.62 0.74 0.19 0.19 119.66 116.33 1wfo s GLN 62 Ca 0.29 0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.84 1wfo s GLN 62 Cb 0.01 -0.23 0.09 0.00 1.10 0.00 0.00 33.01 33.98 1wfo s GLN 62 CO 0.15 -0.12 0.04 0.42 -0.55 0.00 0.00 175.29 175.23 1wfo s ILE 63 N 0.79 1.64 -0.23 -2.34 1.01 0.35 -0.37 121.20 122.04 1wfo s ILE 63 Ca -0.07 -1.75 -0.21 0.00 0.00 0.00 0.00 60.65 58.62 1wfo s ILE 63 Cb -0.10 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1wfo s ILE 63 CO -0.02 -0.50 0.66 0.42 0.00 0.00 0.00 174.94 175.50 1wfo s THR 64 N 1.26 4.97 -0.11 2.92 -4.23 -0.33 -2.13 115.64 117.99 1wfo s THR 64 Ca 0.06 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1wfo s THR 64 Cb -0.18 -3.97 -0.02 0.00 1.34 0.00 0.00 72.50 69.67 1wfo s THR 64 CO -0.13 0.04 -0.12 -1.38 -0.54 0.00 0.00 174.62 172.49 1wfo s HIS 65 N 2.36 2.82 0.17 3.99 -3.43 -1.18 -1.87 115.29 118.14 1wfo s HIS 65 Ca 0.28 -0.49 -0.08 0.00 -0.80 0.00 0.00 55.06 53.97 1wfo s HIS 65 Cb -0.16 -1.81 0.03 0.00 -1.43 0.00 0.00 32.58 29.22 1wfo s HIS 65 CO 0.09 -0.10 0.41 2.89 -2.00 0.00 0.00 174.74 176.04 1wfo n ARG 66 N 3.24 0.49 -4.16 -0.38 1.85 -1.22 -3.47 116.66 113.02 1wfo n ARG 66 Ca -0.18 -0.99 -0.31 0.00 -1.00 0.00 0.00 57.85 55.37 1wfo n ARG 66 Cb 0.53 1.26 -0.08 0.00 -1.05 0.00 0.00 32.46 33.11 1wfo n ARG 66 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wfo s LEU 67 N 0.00 3.62 -0.14 2.89 1.43 -1.26 -1.82 118.68 123.40 1wfo s LEU 67 Ca 0.09 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1wfo s LEU 67 Cb -0.02 -2.22 0.33 0.00 0.03 0.00 0.00 46.19 44.31 1wfo s LEU 67 CO 0.05 0.22 1.17 -3.20 0.23 0.00 0.00 176.35 174.82 1wfo n ASN 68 N 0.88 3.15 0.00 2.29 5.15 0.33 -4.79 115.26 122.28 1wfo n ASN 68 Ca -0.12 -2.51 0.00 0.00 -0.60 0.00 0.00 54.58 51.35 1wfo n ASN 68 Cb 0.52 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 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 0.09 0.00 -2.14 -0.44 -2.24 -1.26 -5.02 114.28 103.26 1wfo n THR 69 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1wfo n THR 69 Cb 0.79 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1wfo n THR 69 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfo n THR 70 N 0.00 0.00 -3.64 4.28 -2.24 -1.26 -4.70 114.28 106.72 1wfo n THR 70 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1wfo n THR 70 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1wfo n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wfo s THR 71 N 0.00 5.11 0.03 4.28 2.01 -1.26 -5.09 115.64 120.72 1wfo s THR 71 Ca 0.00 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1wfo s THR 71 Cb 0.00 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1wfo s THR 71 CO 0.00 -0.44 0.46 0.00 -0.69 0.00 0.00 174.62 173.96 1wfo s ALA 72 N -2.17 3.66 0.00 7.40 0.00 -1.26 -4.97 121.76 124.43 1wfo s ALA 72 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1wfo s ALA 72 Cb -0.09 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1wfo s ALA 72 CO 0.33 0.46 0.00 0.09 0.00 0.00 0.00 175.76 176.63 1wfo n ASN 73 N 1.74 0.00 -1.06 0.00 4.13 -1.26 -5.15 115.26 113.66 1wfo n ASN 73 Ca -0.13 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.24 1wfo n ASN 73 Cb 0.52 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 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 0.00 -0.32 -4.31 3.41 -2.24 -1.26 -4.94 114.28 104.62 1wfo n THR 74 Ca 0.00 0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 62.03 1wfo n THR 74 Cb 0.00 -0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 67.37 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 -3.99 1.21 -0.74 6.98 0.00 -1.26 -5.07 121.76 118.89 1wfo s ALA 75 Ca 0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 1wfo s ALA 75 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1wfo s ALA 75 CO 0.00 0.22 1.64 0.99 0.00 0.00 0.00 175.76 178.61 1wfo s THR 76 N -0.98 3.55 0.31 0.00 2.01 -1.23 -4.88 115.64 114.42 1wfo s THR 76 Ca 0.01 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.10 1wfo s THR 76 Cb -0.09 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 1wfo s THR 76 CO 0.02 -1.34 0.50 0.68 -0.69 0.00 0.00 174.62 173.79 1wfo s VAL 77 N 7.69 5.14 -0.01 3.82 -7.23 -1.26 -3.12 120.40 125.43 1wfo s VAL 77 Ca 0.55 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 1wfo s VAL 77 Cb -0.09 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 33.02 1wfo s VAL 77 CO 0.12 -0.46 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.74 1wfo s GLU 78 N -4.09 0.26 0.00 4.82 2.12 -0.90 -4.97 118.70 115.94 1wfo s GLU 78 Ca 0.39 -0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.46 1wfo s GLU 78 Cb -0.10 -0.32 -0.05 0.00 0.26 0.00 0.00 34.13 33.92 1wfo s GLU 78 CO 0.34 -0.01 0.68 0.08 -0.54 0.00 0.00 175.26 175.80 1wfo s VAL 79 N 0.35 4.86 0.37 3.70 1.01 -1.26 -0.50 120.40 128.94 1wfo s VAL 79 Ca -0.03 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.46 1wfo s VAL 79 Cb -0.06 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1wfo s VAL 79 CO -0.01 0.37 0.11 -0.76 0.00 0.00 0.00 175.10 174.81 1wfo s LEU 80 N 0.04 3.10 0.86 3.92 1.43 0.51 -4.91 118.68 123.63 1wfo s LEU 80 Ca 0.35 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 1wfo s LEU 80 Cb -0.19 -1.46 0.11 0.00 0.03 0.00 0.00 46.19 44.68 1wfo s LEU 80 CO 0.20 -0.39 1.12 0.00 0.23 0.00 0.00 176.35 177.51 1wfo s ALA 81 N -2.54 1.98 -1.64 4.21 0.00 -1.26 0.11 121.76 122.62 1wfo s ALA 81 Ca 0.38 -0.38 0.23 0.00 0.00 0.00 0.00 51.96 52.19 1wfo s ALA 81 Cb 0.01 -3.07 1.25 0.00 0.00 0.00 0.00 23.12 21.32 1wfo s ALA 81 CO 0.21 -2.05 1.77 -0.35 0.00 0.00 0.00 175.76 175.34 1wfo n PRO 82 N -3.62 0.48 -1.29 0.00 -0.04 -1.23 -2.64 135.00 126.66 1wfo n PRO 82 Ca 0.07 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 1wfo n PRO 82 Cb 0.58 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.66 1wfo n PRO 82 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfo n SER 83 N -1.18 3.44 -4.62 3.54 7.64 -1.26 -4.86 113.62 116.32 1wfo n SER 83 Ca 0.13 -3.82 -0.37 0.00 1.01 0.00 0.00 58.87 55.82 1wfo n SER 83 Cb 0.15 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfo s ALA 84 N -3.42 3.53 -0.02 -0.43 0.00 -1.08 -4.93 121.76 115.40 1wfo s ALA 84 Ca 0.45 -0.96 0.14 0.00 0.00 0.00 0.00 51.96 51.59 1wfo s ALA 84 Cb 0.40 -2.32 -0.22 0.00 0.00 0.00 0.00 23.12 20.98 1wfo s ALA 84 CO -0.01 -0.31 0.30 0.54 0.00 0.00 0.00 175.76 176.29 1wfo n ARG 85 N 4.53 0.49 -3.85 0.00 5.12 -1.26 -4.92 116.66 116.77 1wfo n ARG 85 Ca -0.15 -0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 55.55 1wfo n ARG 85 Cb 0.52 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 30.42 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 -2.97 1.09 0.01 5.56 -2.07 -1.26 -0.01 119.66 120.00 1wfo s GLN 86 Ca -0.05 -0.99 -0.04 0.00 -1.82 0.00 0.00 55.36 52.45 1wfo s GLN 86 Cb 0.09 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.41 1wfo s GLN 86 CO 0.60 -0.40 0.07 -0.47 -1.32 0.00 0.00 175.29 173.77 1wfo s TYR 87 N -3.90 0.12 -0.16 9.60 5.04 -0.97 -5.02 117.35 122.06 1wfo s TYR 87 Ca 0.10 -0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.44 1wfo s TYR 87 Cb 0.03 -0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.22 1wfo s TYR 87 CO -0.05 -0.24 -0.06 0.99 -1.34 0.00 0.00 175.55 174.85 1wfo s THR 88 N -1.36 3.62 -0.09 4.34 2.01 -1.26 -2.73 115.64 120.18 1wfo s THR 88 Ca -0.15 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1wfo s THR 88 Cb -0.08 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1wfo s THR 88 CO 0.01 0.48 0.08 0.00 -0.69 0.00 0.00 174.62 174.50 1wfo s ALA 89 N 0.60 3.62 -0.02 7.40 0.00 0.52 -4.97 121.76 128.90 1wfo s ALA 89 Ca -0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1wfo s ALA 89 Cb -0.15 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1wfo s ALA 89 CO 0.03 0.62 0.05 0.95 0.00 0.00 0.00 175.76 177.41 1wfo s THR 90 N -0.99 -0.01 0.00 0.00 -4.23 -1.26 -1.42 115.64 107.73 1wfo s THR 90 Ca 0.15 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1wfo s THR 90 Cb -0.12 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1wfo s THR 90 CO 0.05 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1wfo n GLY 91 N 3.28 0.67 3.68 3.99 0.00 0.67 -4.96 105.19 112.51 1wfo n GLY 91 Ca -0.15 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.28 3.02 -0.21 0.99 1.43 -0.92 -4.98 118.68 116.73 1wfo s LEU 92 Ca 0.00 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.90 1wfo s LEU 92 Cb 0.00 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1wfo s LEU 92 CO 0.00 -0.41 0.13 -0.75 0.23 0.00 0.00 176.35 175.55 1wfo s LYS 93 N -3.80 4.11 0.61 1.70 2.20 -1.26 -3.88 119.74 119.42 1wfo s LYS 93 Ca 0.38 -0.26 -0.14 0.00 -0.36 0.00 0.00 55.97 55.58 1wfo s LYS 93 Cb 0.04 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1wfo s LYS 93 CO 0.20 0.20 1.05 -1.25 -0.36 0.00 0.00 175.35 175.20 1wfo s PRO 94 N 0.63 3.28 -0.78 4.03 0.04 -1.26 -3.95 135.00 136.98 1wfo s PRO 94 Ca 0.07 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1wfo s PRO 94 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wfo s PRO 94 CO 0.01 -0.84 0.68 0.39 0.04 0.00 0.00 177.00 177.28 1wfo n GLU 95 N -2.29 -4.53 -3.98 4.56 1.02 0.32 -4.97 120.64 110.76 1wfo n GLU 95 Ca 0.08 0.50 -0.09 0.00 -0.02 0.00 0.00 57.16 57.63 1wfo n GLU 95 Cb 0.53 -4.53 -0.05 0.00 -0.02 0.00 0.00 31.44 27.38 1wfo n GLU 95 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfo s SER 96 N -3.39 -0.11 -0.14 1.62 0.01 -1.25 -4.97 113.70 105.47 1wfo s SER 96 Ca 0.24 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 1wfo s SER 96 Cb -0.11 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 1wfo s SER 96 CO 0.44 -1.16 -0.09 -0.69 0.41 0.00 0.00 173.24 172.15 1wfo s VAL 97 N -4.01 3.42 -0.08 3.43 1.01 -1.26 -0.43 120.40 122.48 1wfo s VAL 97 Ca 0.21 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1wfo s VAL 97 Cb -0.01 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1wfo s VAL 97 CO 0.09 0.51 -0.14 -0.31 0.00 0.00 0.00 175.10 175.25 1wfo s TYR 98 N 0.36 2.75 -0.32 5.22 1.51 0.59 -0.51 117.35 126.95 1wfo s TYR 98 Ca -0.08 -0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 55.50 1wfo s TYR 98 Cb -0.15 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1wfo s TYR 98 CO 0.04 0.04 0.29 -1.17 -1.11 0.00 0.00 175.55 173.64 1wfo s LEU 99 N -0.31 4.34 -0.36 -1.29 1.98 -0.76 0.11 118.68 122.39 1wfo s LEU 99 Ca 0.03 -0.19 -0.12 0.00 -2.89 0.00 0.00 54.13 50.96 1wfo s LEU 99 Cb -0.13 -2.25 0.01 0.00 0.66 0.00 0.00 46.19 44.48 1wfo s LEU 99 CO 0.03 -0.24 0.22 -0.36 -1.89 0.00 0.00 176.35 174.11 1wfo s PHE 100 N 1.88 3.22 -0.30 5.38 0.40 0.48 -3.39 117.98 125.66 1wfo s PHE 100 Ca 0.09 -0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 1wfo s PHE 100 Cb -0.17 -2.46 -0.00 0.00 0.51 0.00 0.00 43.02 40.90 1wfo s PHE 100 CO 0.11 -0.51 0.12 0.50 0.70 0.00 0.00 175.22 176.14 1wfo s ARG 101 N 1.64 3.28 -0.12 0.44 3.52 -0.78 0.40 118.95 127.32 1wfo s ARG 101 Ca 0.04 -0.75 -0.07 0.00 -0.13 0.00 0.00 55.73 54.82 1wfo s ARG 101 Cb -0.18 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1wfo s ARG 101 CO 0.08 -0.41 0.14 0.42 -0.81 0.00 0.00 175.30 174.72 1wfo s ILE 102 N 1.58 5.50 0.09 4.11 1.01 0.97 -1.18 121.20 133.27 1wfo s ILE 102 Ca 0.04 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.80 1wfo s ILE 102 Cb -0.17 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1wfo s ILE 102 CO 0.05 0.61 0.23 -0.89 0.00 0.00 0.00 174.94 174.94 1wfo s THR 103 N -0.95 0.13 0.27 2.92 2.01 0.50 -0.04 115.64 120.48 1wfo s THR 103 Ca 0.15 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.21 1wfo s THR 103 Cb -0.12 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1wfo s THR 103 CO 0.04 -0.57 -0.00 0.00 -0.69 0.00 0.00 174.62 173.39 1wfo s ALA 104 N -3.71 3.16 -0.14 7.40 0.00 -1.26 0.53 121.76 127.75 1wfo s ALA 104 Ca 0.03 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.34 1wfo s ALA 104 Cb 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1wfo s ALA 104 CO -0.10 0.26 -0.16 -1.14 0.00 0.00 0.00 175.76 174.61 1wfo s GLN 105 N -3.68 2.45 0.00 0.00 0.74 0.15 -3.67 119.66 115.65 1wfo s GLN 105 Ca 0.32 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 55.10 1wfo s GLN 105 Cb -0.06 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.90 1wfo s GLN 105 CO 0.20 -0.16 0.00 0.25 -0.55 0.00 0.00 175.29 175.02 1wfo n THR 106 N 4.53 0.00 0.63 -0.34 -2.24 0.02 0.19 114.28 117.07 1wfo n THR 106 Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1wfo n THR 106 Cb 0.50 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.11 -0.05 -0.78 1.85 -1.26 -3.08 116.66 113.45 1wfo n ARG 107 Ca 0.00 0.22 -0.22 0.00 -1.00 0.00 0.00 57.85 56.86 1wfo n ARG 107 Cb 0.00 -1.67 -0.13 0.00 -1.05 0.00 0.00 32.46 29.61 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 -1.88 0.68 0.00 2.89 4.76 -1.26 -5.10 118.16 118.25 1wfo n LYS 108 Ca 0.04 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1wfo n LYS 108 Cb 0.29 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 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 1.78 -0.26 3.08 0.72 0.00 -1.18 -4.96 105.19 104.37 1wfo n GLY 109 Ca -0.35 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 3.01 0.00 1.61 0.52 -1.26 -0.80 118.94 122.01 1wfo s TRP 110 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 56.10 54.11 1wfo s TRP 110 Cb 0.00 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1wfo s TRP 110 CO 0.00 -0.84 0.00 0.41 0.02 0.00 0.00 176.95 176.54 1wfo n GLY 111 N 4.52 -0.42 3.33 0.98 0.00 -1.24 -4.96 105.19 107.41 1wfo n GLY 111 Ca -0.17 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.70 -4.15 1.61 4.71 -1.06 -4.77 120.64 116.28 1wfo n GLU 112 Ca 0.00 -0.18 -0.16 0.00 -0.01 0.00 0.00 57.16 56.82 1wfo n GLU 112 Cb 0.00 -1.73 -0.14 0.00 -1.01 0.00 0.00 31.44 28.56 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 -2.31 0.43 -0.25 0.62 0.00 -1.26 -4.35 121.76 114.64 1wfo s ALA 113 Ca 0.55 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1wfo s ALA 113 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1wfo s ALA 113 CO 0.68 0.10 0.39 0.00 0.00 0.00 0.00 175.76 176.93 1wfo s ALA 114 N -0.17 3.57 -0.27 0.00 0.00 0.95 -4.53 121.76 121.31 1wfo s ALA 114 Ca 0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1wfo s ALA 114 Cb -0.02 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1wfo s ALA 114 CO -0.00 -0.58 0.20 -1.21 0.00 0.00 0.00 175.76 174.17 1wfo s GLU 115 N 1.91 4.00 -0.06 0.00 2.02 -1.26 -0.02 118.70 125.28 1wfo s GLU 115 Ca 0.16 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.89 1wfo s GLU 115 Cb -0.15 -3.62 0.02 0.00 0.10 0.00 0.00 34.13 30.48 1wfo s GLU 115 CO 0.09 -0.11 -0.06 0.00 0.02 0.00 0.00 175.26 175.20 1wfo s ALA 116 N 1.55 0.90 0.16 5.21 0.00 0.16 -4.78 121.76 124.96 1wfo s ALA 116 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 1wfo s ALA 116 Cb -0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 1wfo s ALA 116 CO 0.09 -0.08 0.45 -0.51 0.00 0.00 0.00 175.76 175.70 1wfo s LEU 117 N 1.06 4.25 -0.20 0.00 1.43 -1.26 0.18 118.68 124.15 1wfo s LEU 117 Ca -0.08 0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 53.68 1wfo s LEU 117 Cb -0.14 -3.38 0.08 0.00 0.03 0.00 0.00 46.19 42.77 1wfo s LEU 117 CO -0.01 0.03 0.46 0.54 0.23 0.00 0.00 176.35 177.60 1wfo s VAL 118 N -1.66 -0.28 0.40 -1.59 0.11 0.12 -4.93 120.40 112.57 1wfo s VAL 118 Ca 0.42 0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 1wfo s VAL 118 Cb -0.12 -0.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.95 1wfo s VAL 118 CO 0.22 0.04 0.83 -0.69 -3.33 0.00 0.00 175.10 172.18 1wfo s VAL 119 N 1.90 4.61 -0.36 2.04 1.01 -1.26 -0.30 120.40 128.05 1wfo s VAL 119 Ca -0.07 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.85 1wfo s VAL 119 Cb -0.09 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1wfo s VAL 119 CO -0.14 -0.37 0.19 0.42 0.00 0.00 0.00 175.10 175.20 1wfo s THR 120 N -2.22 4.53 -0.04 3.92 -4.23 0.42 -4.85 115.64 113.17 1wfo s THR 120 Ca 0.56 -0.77 -0.31 0.00 -1.18 0.00 0.00 61.69 59.99 1wfo s THR 120 Cb -0.10 -3.48 0.13 0.00 1.34 0.00 0.00 72.50 70.39 1wfo s THR 120 CO 0.22 -0.16 1.30 0.28 -0.54 0.00 0.00 174.62 175.72 1wfo s THR 121 N 1.56 0.00 -0.14 3.99 -1.32 -1.21 0.12 115.64 118.63 1wfo s THR 121 Ca 0.02 -0.18 -0.14 0.00 -1.21 0.00 0.00 61.69 60.18 1wfo s THR 121 Cb -0.19 -1.93 -0.24 0.00 -1.51 0.00 0.00 72.50 68.63 1wfo s THR 121 CO 0.06 0.00 0.37 -0.33 -2.21 0.00 0.00 174.62 172.52 1wfo h GLU 122 N 2.00 0.17 -7.01 7.08 5.08 -1.89 -3.40 114.58 116.61 1wfo h GLU 122 Ca -0.29 -0.29 -0.49 0.00 -1.00 0.00 0.00 59.36 57.29 1wfo h GLU 122 Cb 1.20 0.11 0.21 0.00 0.50 0.00 0.00 28.75 30.77 1wfo h GLU 122 CO 0.28 1.14 -0.25 1.63 -1.00 0.00 0.00 179.01 180.81 1wfo n LYS 123 N -3.94 -1.22 -3.80 2.33 5.02 -1.26 -5.04 118.16 110.25 1wfo n LYS 123 Ca -0.30 -0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 55.55 1wfo n LYS 123 Cb 0.88 -2.08 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 1wfo n LYS 123 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1wfo s ARG 124 N -4.14 0.39 0.16 1.97 3.52 -1.26 -5.12 118.95 114.48 1wfo s ARG 124 Ca 0.63 0.11 -0.24 0.00 -0.13 0.00 0.00 55.73 56.10 1wfo s ARG 124 Cb -0.21 0.18 0.06 0.00 -1.56 0.00 0.00 34.95 33.41 1wfo s ARG 124 CO 0.64 -0.07 0.87 -1.54 -0.81 0.00 0.00 175.30 174.38 1wfo s SER 125 N -0.40 -0.24 -0.41 -2.12 1.04 -1.26 -5.13 113.70 105.18 1wfo s SER 125 Ca -0.05 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 1wfo s SER 125 Cb -0.03 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.72 1wfo s SER 125 CO 0.01 -0.98 0.22 -0.83 0.98 0.00 0.00 173.24 172.64 1wfo s GLY 126 N -2.87 1.96 0.60 7.32 0.00 -1.26 -5.09 107.32 107.98 1wfo s GLY 126 Ca 0.10 -2.28 -0.15 0.00 0.00 0.00 0.00 44.72 42.39 1wfo s GLY 126 CO 0.01 0.97 1.05 2.56 0.00 0.00 0.00 173.10 177.69 1wfo s PRO 127 N 1.30 3.34 0.10 2.90 0.04 -1.26 -5.07 135.00 136.34 1wfo s PRO 127 Ca 0.04 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.15 1wfo s PRO 127 Cb -0.23 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1wfo s PRO 127 CO -0.01 -0.79 0.16 -1.54 0.04 0.00 0.00 177.00 174.86 1wfo s SER 128 N -2.98 0.19 -0.32 6.66 1.04 -1.26 -5.14 113.70 111.89 1wfo s SER 128 Ca 0.62 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 1wfo s SER 128 Cb -0.15 0.33 0.19 0.00 0.10 0.00 0.00 66.02 66.49 1wfo s SER 128 CO 0.39 -0.74 0.89 -0.44 0.98 0.00 0.00 173.24 174.31 1wfo s SER 129 N -2.92 -0.83 0.00 7.02 0.01 -1.26 -5.35 113.70 110.38 1wfo s SER 129 Ca 0.10 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wfo s SER 129 Cb 0.05 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.63 1wfo s SER 129 CO -0.07 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.06