#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 -0.24 0.41 1.61 0.01 -1.26 -5.18 113.70 109.06 1wfo s SER 2 Ca 0.00 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1wfo s SER 2 Cb 0.00 0.63 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 1wfo s SER 2 CO 0.00 -1.15 0.30 -0.44 0.41 0.00 0.00 173.24 172.36 1wfo s SER 3 N -2.92 4.82 0.18 2.44 0.01 -1.26 -5.01 113.70 111.96 1wfo s SER 3 Ca 0.11 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1wfo s SER 3 Cb -0.04 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1wfo s SER 3 CO 0.04 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1wfo n GLY 4 N -1.43 -1.51 3.47 3.44 0.00 -1.26 -5.13 105.19 102.76 1wfo n GLY 4 Ca 0.02 0.49 -0.51 0.00 0.00 0.00 0.00 46.02 46.03 1wfo n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfo n SER 5 N -3.13 -0.35 0.18 1.61 3.41 -1.26 -4.81 113.62 109.27 1wfo n SER 5 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1wfo n SER 5 Cb 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1wfo n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfo n SER 6 N 1.81 -2.24 0.00 4.04 7.64 -1.26 -5.18 113.62 118.43 1wfo n SER 6 Ca 0.17 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1wfo n SER 6 Cb 0.21 2.20 0.00 0.00 -1.01 0.00 0.00 64.21 65.61 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 -0.15 0.85 3.22 0.23 0.00 -1.26 -5.10 105.19 102.98 1wfo n GLY 7 Ca 0.00 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 44.07 1wfo n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wfo s ARG 8 N -1.59 0.20 0.25 1.61 6.06 -1.26 -5.18 118.95 119.05 1wfo s ARG 8 Ca 0.00 0.42 0.08 0.00 -2.50 0.00 0.00 55.73 53.73 1wfo s ARG 8 Cb 0.00 0.25 -0.05 0.00 0.06 0.00 0.00 34.95 35.20 1wfo s ARG 8 CO 0.00 -0.16 -0.11 0.96 -2.50 0.00 0.00 175.30 173.50 1wfo s ILE 9 N 2.69 1.78 0.00 4.11 -5.25 -1.26 -5.12 121.20 118.15 1wfo s ILE 9 Ca -0.01 -2.19 0.00 0.00 -0.99 0.00 0.00 60.65 57.46 1wfo s ILE 9 Cb -0.08 -2.28 0.00 0.00 2.95 0.00 0.00 42.46 43.05 1wfo s ILE 9 CO -0.14 -0.42 0.00 0.61 -1.79 0.00 0.00 174.94 173.20 1wfo n GLY 10 N -0.51 4.28 3.46 6.27 0.00 -1.26 -5.17 105.19 112.25 1wfo n GLY 10 Ca -0.06 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 1wfo n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wfo s ASP 11 N 0.00 -0.56 0.39 1.61 -1.08 -1.26 -5.18 116.67 110.59 1wfo s ASP 11 Ca 0.00 0.49 -0.15 0.00 -0.52 0.00 0.00 52.55 52.37 1wfo s ASP 11 Cb 0.00 0.51 0.06 0.00 -1.46 0.00 0.00 42.92 42.03 1wfo s ASP 11 CO 0.00 -0.64 0.80 -0.83 0.52 0.00 0.00 175.17 175.02 1wfo s GLY 12 N -1.47 0.41 -0.02 2.66 0.00 -1.26 -5.12 107.32 102.52 1wfo s GLY 12 Ca -0.09 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 1wfo s GLY 12 CO 0.05 -0.31 1.80 -0.56 0.00 0.00 0.00 173.10 174.08 1wfo s SER 13 N -3.09 6.55 -0.08 1.64 0.01 -1.26 -4.90 113.70 112.58 1wfo s SER 13 Ca 0.16 2.40 -0.22 0.00 1.31 0.00 0.00 55.95 59.60 1wfo s SER 13 Cb -0.05 -2.53 -0.18 0.00 0.21 0.00 0.00 66.02 63.47 1wfo s SER 13 CO 0.12 -1.01 0.82 1.55 0.41 0.00 0.00 173.24 175.13 1wfo h PRO 14 N 10.11 -0.10 -4.10 12.44 0.13 -2.06 -3.50 132.00 144.92 1wfo h PRO 14 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wfo h PRO 14 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wfo h PRO 14 CO 0.95 0.44 -0.93 0.43 -0.23 0.00 0.00 178.00 178.67 1wfo n SER 15 N -4.82 -9.05 -4.41 1.44 7.64 -1.26 -5.03 113.62 98.14 1wfo n SER 15 Ca -0.08 1.32 -0.27 0.00 1.01 0.00 0.00 58.87 60.86 1wfo n SER 15 Cb 0.29 -4.91 -0.12 0.00 -1.01 0.00 0.00 64.21 58.47 1wfo n SER 15 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1wfo s HIS 16 N -1.35 2.26 0.83 1.43 -3.43 -1.26 -5.14 115.29 108.63 1wfo s HIS 16 Ca 0.00 -0.37 -0.12 0.00 -0.80 0.00 0.00 55.06 53.77 1wfo s HIS 16 Cb 0.00 -1.14 0.09 0.00 -1.43 0.00 0.00 32.58 30.10 1wfo s HIS 16 CO 0.00 0.45 1.11 -1.25 -2.00 0.00 0.00 174.74 173.05 1wfo s PRO 17 N -2.54 1.78 1.06 -0.38 0.04 -1.26 -5.06 135.00 128.64 1wfo s PRO 17 Ca 0.19 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.59 1wfo s PRO 17 Cb -0.08 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.80 1wfo s PRO 17 CO 0.09 -1.81 1.21 -1.25 0.04 0.00 0.00 177.00 175.28 1wfo s PRO 18 N -5.19 -0.14 -0.12 0.56 0.04 -1.26 -5.05 135.00 123.82 1wfo s PRO 18 Ca 0.62 -0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.42 1wfo s PRO 18 Cb -0.15 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wfo s PRO 18 CO 0.54 -2.97 0.06 0.42 0.04 0.00 0.00 177.00 175.08 1wfo s ILE 19 N -3.44 4.76 -0.28 0.56 -1.09 -1.26 -5.08 121.20 115.38 1wfo s ILE 19 Ca 0.72 -0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 59.04 1wfo s ILE 19 Cb -0.07 -3.07 0.09 0.00 -1.58 0.00 0.00 42.46 37.83 1wfo s ILE 19 CO 0.54 0.57 0.11 -0.22 -1.23 0.00 0.00 174.94 174.71 1wfo s LEU 20 N -0.54 1.06 -1.19 2.97 2.96 -1.26 -5.05 118.68 117.63 1wfo s LEU 20 Ca 0.10 -1.29 -0.09 0.00 -0.22 0.00 0.00 54.13 52.64 1wfo s LEU 20 Cb -0.12 -0.51 0.22 0.00 0.50 0.00 0.00 46.19 46.28 1wfo s LEU 20 CO 0.02 -0.41 1.59 -0.62 -1.32 0.00 0.00 176.35 175.61 1wfo n GLU 21 N 5.12 3.80 0.00 1.98 -0.58 -1.26 -4.65 120.64 125.05 1wfo n GLU 21 Ca -0.05 -3.99 0.00 0.00 -0.42 0.00 0.00 57.16 52.70 1wfo n GLU 21 Cb 0.43 -2.79 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 1wfo n GLU 21 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wfo n ARG 22 N 3.36 0.00 -0.02 3.49 1.74 -1.26 -5.08 116.66 118.89 1wfo n ARG 22 Ca 0.33 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1wfo n ARG 22 Cb 0.37 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1wfo n ARG 22 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1wfo h THR 23 N 0.00 0.00 -4.22 0.55 2.02 -2.06 -3.47 112.91 105.72 1wfo h THR 23 Ca 0.00 -0.63 -0.53 0.00 0.77 0.00 0.00 66.41 66.03 1wfo h THR 23 Cb 0.00 0.00 -0.28 0.00 -1.74 0.00 0.00 68.15 66.13 1wfo h THR 23 CO 0.00 0.00 -0.83 -0.22 0.37 0.00 0.00 175.52 174.84 1wfo s LEU 24 N -6.95 2.09 0.51 2.58 2.96 -1.26 -5.15 118.68 113.46 1wfo s LEU 24 Ca -0.00 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1wfo s LEU 24 Cb 0.00 -0.84 0.05 0.00 0.50 0.00 0.00 46.19 45.89 1wfo s LEU 24 CO 0.01 0.17 0.70 -1.81 -1.32 0.00 0.00 176.35 174.09 1wfo s ASP 25 N -0.70 5.34 0.00 3.68 1.11 -1.26 -5.06 116.67 119.78 1wfo s ASP 25 Ca 0.06 -0.55 0.00 0.00 0.18 0.00 0.00 52.55 52.24 1wfo s ASP 25 Cb -0.07 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.64 1wfo s ASP 25 CO 0.00 -1.08 0.00 -0.90 1.18 0.00 0.00 175.17 174.38 1wfo n ASP 26 N -2.10 0.00 -4.04 0.27 5.68 -1.19 -5.12 116.55 110.05 1wfo n ASP 26 Ca 0.11 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.04 1wfo n ASP 26 Cb 0.60 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.74 0.01 -1.54 2.12 0.24 -1.26 -4.43 118.33 112.73 1wfo n VAL 27 Ca 0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.53 1wfo n VAL 27 Cb 0.00 -0.03 0.13 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.02 1.33 0.12 7.34 0.04 -1.20 -4.79 135.00 135.82 1wfo s PRO 28 Ca 0.42 0.35 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 1wfo s PRO 28 Cb -0.20 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1wfo s PRO 28 CO 0.81 -2.08 0.17 0.41 0.04 0.00 0.00 177.00 176.35 1wfo n GLY 29 N -2.21 -0.37 3.75 0.56 0.00 -1.17 -2.28 105.19 103.47 1wfo n GLY 29 Ca 0.07 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.14 4.62 -0.34 1.61 0.04 -1.26 -4.17 135.00 132.36 1wfo s PRO 30 Ca 0.10 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1wfo s PRO 30 Cb -0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1wfo s PRO 30 CO 0.07 0.16 1.37 -1.25 0.04 0.00 0.00 177.00 177.39 1wfo s PRO 31 N -0.93 3.77 0.39 0.56 0.04 -1.26 -4.60 135.00 132.97 1wfo s PRO 31 Ca 0.47 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1wfo s PRO 31 Cb -0.31 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 1wfo s PRO 31 CO 0.38 -1.31 0.62 0.00 0.04 0.00 0.00 177.00 176.72 1wfo s MET 32 N 4.52 3.42 0.00 4.56 0.23 -1.24 -4.53 119.30 126.26 1wfo s MET 32 Ca 0.59 -0.26 0.00 0.00 -1.03 0.00 0.00 55.69 54.99 1wfo s MET 32 Cb -0.16 -2.59 0.00 0.00 -1.53 0.00 0.00 34.83 30.55 1wfo s MET 32 CO 0.27 0.00 0.00 0.41 -2.03 0.00 0.00 175.02 173.68 1wfo n GLY 33 N -1.93 0.86 3.47 3.16 0.00 -1.26 -1.65 105.19 107.84 1wfo n GLY 33 Ca -0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.51 4.35 0.20 -0.61 -1.09 -1.26 -3.68 121.20 116.61 1wfo s ILE 34 Ca 0.00 -0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 1wfo s ILE 34 Cb 0.00 -4.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.20 1wfo s ILE 34 CO 0.00 -1.35 -0.11 -0.76 -1.23 0.00 0.00 174.94 171.49 1wfo s LEU 35 N 4.01 2.52 -0.44 2.97 2.01 -1.11 -5.00 118.68 123.63 1wfo s LEU 35 Ca 0.24 -1.05 0.03 0.00 0.01 0.00 0.00 54.13 53.36 1wfo s LEU 35 Cb -0.16 -0.57 0.12 0.00 0.01 0.00 0.00 46.19 45.60 1wfo s LEU 35 CO 0.13 -0.25 0.19 -0.36 1.01 0.00 0.00 176.35 177.06 1wfo s PHE 36 N -3.09 2.92 -0.08 0.29 0.40 -1.26 -1.28 117.98 115.88 1wfo s PHE 36 Ca 0.22 -2.84 -0.27 0.00 -0.60 0.00 0.00 56.93 53.45 1wfo s PHE 36 Cb 0.01 -2.54 -0.23 0.00 0.51 0.00 0.00 43.02 40.77 1wfo s PHE 36 CO 0.06 -0.81 1.02 -1.00 0.70 0.00 0.00 175.22 175.19 1wfo h PRO 37 N 6.97 0.03 -4.90 0.24 0.13 -1.94 -3.43 132.00 129.09 1wfo h PRO 37 Ca -0.06 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 64.37 1wfo h PRO 37 Cb 0.94 0.01 -0.36 0.00 0.13 0.00 0.00 31.00 31.72 1wfo h PRO 37 CO 0.58 0.77 -0.80 -2.00 -0.23 0.00 0.00 178.00 176.32 1wfo s GLU 38 N -3.23 2.41 -0.07 0.86 2.12 -1.12 -5.06 118.70 114.61 1wfo s GLU 38 Ca -0.17 -1.24 -0.03 0.00 0.36 0.00 0.00 54.97 53.90 1wfo s GLU 38 Cb -0.00 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.57 1wfo s GLU 38 CO 0.69 -0.50 0.09 0.54 -0.54 0.00 0.00 175.26 175.54 1wfo s VAL 39 N 1.15 -0.14 0.00 3.70 0.11 -1.26 0.24 120.40 124.20 1wfo s VAL 39 Ca -0.06 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1wfo s VAL 39 Cb -0.19 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1wfo s VAL 39 CO -0.06 0.11 0.00 0.54 -3.33 0.00 0.00 175.10 172.36 1wfo n ARG 40 N 5.30 2.75 0.00 1.54 1.74 0.54 -4.66 116.66 123.87 1wfo n ARG 40 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfo n THR 41 N -0.19 0.00 0.19 0.55 -2.24 -1.26 -3.37 114.28 107.96 1wfo n THR 41 Ca 0.00 0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 62.07 1wfo n THR 41 Cb 0.00 -0.85 0.11 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.15 1.53 -3.46 4.28 -2.24 -1.25 -4.40 114.28 108.58 1wfo n THR 42 Ca 0.00 -0.66 0.01 0.00 -2.27 0.00 0.00 64.05 61.13 1wfo n THR 42 Cb 0.00 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.07 -1.01 0.26 3.42 1.04 -1.26 0.37 113.70 116.46 1wfo s SER 43 Ca 0.22 1.17 0.05 0.00 0.48 0.00 0.00 55.95 57.86 1wfo s SER 43 Cb 0.18 2.06 -0.06 0.00 0.10 0.00 0.00 66.02 68.30 1wfo s SER 43 CO 0.05 -0.19 -0.02 0.68 0.98 0.00 0.00 173.24 174.74 1wfo s VAL 44 N 2.79 1.32 -0.24 5.02 -7.23 -0.08 0.20 120.40 122.17 1wfo s VAL 44 Ca 0.01 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1wfo s VAL 44 Cb -0.11 -2.44 0.13 0.00 0.56 0.00 0.00 36.38 34.51 1wfo s VAL 44 CO -0.19 -0.28 0.34 -0.60 -0.31 0.00 0.00 175.10 174.07 1wfo s ARG 45 N -3.81 0.32 0.40 4.82 3.52 0.66 0.11 118.95 124.97 1wfo s ARG 45 Ca 0.30 0.43 0.08 0.00 -0.13 0.00 0.00 55.73 56.40 1wfo s ARG 45 Cb 0.05 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.76 1wfo s ARG 45 CO 0.11 -0.67 0.20 -0.48 -0.81 0.00 0.00 175.30 173.65 1wfo s LEU 46 N 2.49 3.19 0.30 -0.88 2.34 -1.19 -2.81 118.68 122.12 1wfo s LEU 46 Ca 0.11 -0.96 0.02 0.00 0.06 0.00 0.00 54.13 53.37 1wfo s LEU 46 Cb -0.15 -1.60 -0.05 0.00 -0.56 0.00 0.00 46.19 43.83 1wfo s LEU 46 CO -0.16 -0.50 0.10 0.27 -1.06 0.00 0.00 176.35 175.00 1wfo s ILE 47 N -2.54 0.66 0.32 1.48 -0.00 -0.40 -2.05 121.20 118.67 1wfo s ILE 47 Ca 0.41 -2.00 -0.18 0.00 -0.00 0.00 0.00 60.65 58.88 1wfo s ILE 47 Cb 0.01 -2.62 0.05 0.00 -0.00 0.00 0.00 42.46 39.90 1wfo s ILE 47 CO 0.23 0.00 0.84 -1.66 -0.00 0.00 0.00 174.94 174.35 1wfo s TRP 48 N -3.58 0.05 0.15 1.37 -2.14 0.37 -2.77 118.94 112.40 1wfo s TRP 48 Ca 0.36 -0.62 0.03 0.00 2.66 0.00 0.00 56.10 58.53 1wfo s TRP 48 Cb 0.07 0.78 -0.05 0.00 -3.10 0.00 0.00 33.47 31.18 1wfo s TRP 48 CO 0.15 -1.36 -0.06 -0.65 -2.66 0.00 0.00 176.95 172.37 1wfo s GLN 49 N -2.60 1.06 0.54 3.25 -0.21 -0.66 -4.74 119.66 116.31 1wfo s GLN 49 Ca 0.16 -1.47 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 1wfo s GLN 49 Cb -0.05 -0.45 -0.06 0.00 1.00 0.00 0.00 33.01 33.45 1wfo s GLN 49 CO 0.09 -0.01 1.04 -1.25 -2.12 0.00 0.00 175.29 173.04 1wfo s PRO 50 N -3.82 3.58 -0.15 2.91 0.04 -1.26 -3.60 135.00 132.70 1wfo s PRO 50 Ca 0.19 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 1wfo s PRO 50 Cb 0.04 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO 0.01 -0.60 1.27 -1.25 0.04 0.00 0.00 177.00 176.46 1wfo s PRO 51 N -3.70 4.24 0.57 0.56 0.04 -1.26 -4.70 135.00 130.74 1wfo s PRO 51 Ca 0.65 1.68 0.45 0.00 0.04 0.00 0.00 61.00 63.82 1wfo s PRO 51 Cb -0.16 -3.75 1.60 0.00 0.04 0.00 0.00 34.50 32.23 1wfo s PRO 51 CO 0.29 -0.68 1.56 0.00 0.04 0.00 0.00 177.00 178.21 1wfo h ALA 52 N 8.15 3.64 -3.15 8.56 0.00 -1.94 -2.08 119.26 132.44 1wfo h ALA 52 Ca -0.28 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1wfo h ALA 52 Cb 1.11 0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.64 1wfo h ALA 52 CO 0.96 -2.21 -0.45 0.00 0.00 0.00 0.00 179.25 177.55 1wfo s ALA 53 N -4.80 3.70 0.16 0.00 0.00 -1.26 -4.89 121.76 114.66 1wfo s ALA 53 Ca -0.05 -3.55 -0.01 0.00 0.00 0.00 0.00 51.96 48.36 1wfo s ALA 53 Cb 0.24 -2.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 1wfo s ALA 53 CO 0.82 -2.09 1.38 -1.00 0.00 0.00 0.00 175.76 174.87 1wfo h PRO 54 N 6.20 0.32 -7.15 0.00 0.13 -1.76 -3.10 132.00 126.65 1wfo h PRO 54 Ca 0.04 -0.31 -0.62 0.00 -0.87 0.00 0.00 66.00 64.24 1wfo h PRO 54 Cb 0.85 0.08 -0.30 0.00 0.13 0.00 0.00 31.00 31.77 1wfo h PRO 54 CO 0.73 0.99 -0.94 0.09 -0.23 0.00 0.00 178.00 178.65 1wfo n ASN 55 N -3.75 -0.40 0.00 1.44 3.02 -1.26 -3.23 115.26 111.08 1wfo n ASN 55 Ca -0.05 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1wfo n ASN 55 Cb 0.78 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 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 -1.85 3.54 3.59 7.41 0.00 -1.26 -3.20 105.19 113.43 1wfo n GLY 56 Ca -0.11 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.25 3.18 0.21 -0.61 1.09 -1.26 -4.89 121.20 118.67 1wfo s ILE 57 Ca 0.00 0.17 -0.32 0.00 -1.10 0.00 0.00 60.65 59.40 1wfo s ILE 57 Cb 0.00 -3.27 -0.14 0.00 -1.06 0.00 0.00 42.46 37.98 1wfo s ILE 57 CO 0.00 -0.20 1.30 -0.38 -0.10 0.00 0.00 174.94 175.57 1wfo n ILE 58 N 7.66 0.89 -0.02 2.92 2.08 -1.26 -4.57 119.36 127.05 1wfo n ILE 58 Ca 0.28 -0.22 0.01 0.00 0.56 0.00 0.00 62.75 63.38 1wfo n ILE 58 Cb 0.48 -1.20 -0.08 0.00 -0.75 0.00 0.00 39.64 38.09 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 2.13 0.00 0.00 1.39 4.77 0.51 -4.78 117.00 121.01 1wfo n LEU 59 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1wfo n LEU 59 Cb 0.28 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1wfo n LEU 59 CO 0.62 0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.78 1wfo n ALA 60 N -2.09 0.00 -2.48 -1.18 0.00 -1.04 -3.50 120.51 110.21 1wfo n ALA 60 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1wfo n ALA 60 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.93 1.22 -0.01 0.00 1.51 0.68 0.15 117.35 117.97 1wfo s TYR 61 Ca 0.00 -1.36 -0.01 0.00 -1.01 0.00 0.00 57.07 54.69 1wfo s TYR 61 Cb 0.00 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.43 1wfo s TYR 61 CO 0.00 -0.85 0.02 -1.14 -1.11 0.00 0.00 175.55 172.47 1wfo s GLN 62 N -3.72 0.02 -0.16 -0.62 0.74 0.29 0.19 119.66 116.40 1wfo s GLN 62 Ca 0.36 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.79 1wfo s GLN 62 Cb 0.03 0.00 0.04 0.00 1.10 0.00 0.00 33.01 34.19 1wfo s GLN 62 CO 0.18 -0.01 -0.03 0.42 -0.55 0.00 0.00 175.29 175.30 1wfo s ILE 63 N 0.04 0.88 -0.17 -2.34 1.01 0.12 -0.30 121.20 120.44 1wfo s ILE 63 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1wfo s ILE 63 Cb -0.01 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1wfo s ILE 63 CO -0.00 0.08 -0.01 0.42 0.00 0.00 0.00 174.94 175.43 1wfo s THR 64 N 1.73 4.04 -0.05 2.92 -4.23 -0.29 -2.36 115.64 117.39 1wfo s THR 64 Ca 0.01 -0.30 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1wfo s THR 64 Cb -0.15 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 1wfo s THR 64 CO -0.07 0.47 -0.18 -1.38 -0.54 0.00 0.00 174.62 172.91 1wfo s HIS 65 N 0.55 1.85 -0.18 3.99 -3.43 -1.23 -0.56 115.29 116.28 1wfo s HIS 65 Ca -0.02 -0.57 -0.27 0.00 -0.80 0.00 0.00 55.06 53.40 1wfo s HIS 65 Cb -0.14 -1.25 0.07 0.00 -1.43 0.00 0.00 32.58 29.83 1wfo s HIS 65 CO 0.02 -0.20 0.70 -0.98 -2.00 0.00 0.00 174.74 172.27 1wfo s ARG 66 N 0.10 0.92 0.10 -0.38 1.70 -1.18 -3.44 118.95 116.78 1wfo s ARG 66 Ca -0.06 0.68 -0.31 0.00 -0.47 0.00 0.00 55.73 55.57 1wfo s ARG 66 Cb -0.13 0.44 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 1wfo s ARG 66 CO 0.03 -0.19 1.81 -0.51 -1.08 0.00 0.00 175.30 175.36 1wfo s LEU 67 N -0.27 4.40 0.59 -1.89 1.43 -1.26 -0.74 118.68 120.94 1wfo s LEU 67 Ca -0.05 2.69 0.39 0.00 -1.03 0.00 0.00 54.13 56.13 1wfo s LEU 67 Cb -0.03 -3.56 2.00 0.00 0.03 0.00 0.00 46.19 44.63 1wfo s LEU 67 CO 0.05 -0.99 2.19 -1.13 0.23 0.00 0.00 176.35 176.70 1wfo h ASN 68 N 8.79 0.00 -2.13 2.29 -1.24 -0.44 -3.35 115.58 119.50 1wfo h ASN 68 Ca -0.46 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.20 1wfo h ASN 68 Cb 1.22 0.00 -0.33 0.00 0.73 0.00 0.00 38.32 39.94 1wfo h ASN 68 CO 0.94 0.00 -0.66 0.42 -1.29 0.00 0.00 177.43 176.85 1wfo s THR 69 N -3.94 -0.36 -0.10 -3.57 -4.23 -1.26 -5.09 115.64 97.09 1wfo s THR 69 Ca -0.03 -0.64 -0.32 0.00 -1.18 0.00 0.00 61.69 59.53 1wfo s THR 69 Cb 0.11 -0.93 0.12 0.00 1.34 0.00 0.00 72.50 73.14 1wfo s THR 69 CO 0.43 -0.52 1.40 0.28 -0.54 0.00 0.00 174.62 175.67 1wfo s THR 70 N 2.12 0.00 0.00 3.99 -1.32 -1.26 -4.94 115.64 114.23 1wfo s THR 70 Ca 0.11 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1wfo s THR 70 Cb -0.14 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1wfo s THR 70 CO -0.26 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.50 1wfo n THR 71 N -0.81 0.00 -0.39 5.08 -2.24 -1.26 -5.02 114.28 109.64 1wfo n THR 71 Ca 0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1wfo n THR 71 Cb 0.60 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.00 -1.01 -0.10 6.98 0.00 -1.26 -4.84 120.51 117.28 1wfo n ALA 72 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 1wfo n ALA 72 Cb 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.78 2.18 -0.42 0.00 2.85 -1.26 -5.09 115.26 110.73 1wfo n ASN 73 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1wfo n ASN 73 Cb 0.18 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 40.80 1wfo n ASN 73 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1wfo n THR 74 N -3.34 0.00 -4.73 -0.44 -2.24 -1.26 -5.17 114.28 97.11 1wfo n THR 74 Ca -0.37 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1wfo n THR 74 Cb 0.85 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.46 2.46 -0.63 6.98 0.00 -1.26 -5.01 121.76 122.84 1wfo s ALA 75 Ca 0.00 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 1wfo s ALA 75 Cb 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.53 1wfo s ALA 75 CO 0.00 0.56 1.19 0.99 0.00 0.00 0.00 175.76 178.49 1wfo s THR 76 N -0.89 3.97 -0.03 0.00 2.01 -1.22 -4.95 115.64 114.52 1wfo s THR 76 Ca 0.14 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.60 1wfo s THR 76 Cb -0.10 -4.77 -0.05 0.00 0.01 0.00 0.00 72.50 67.58 1wfo s THR 76 CO 0.04 -1.50 0.44 -0.69 -0.69 0.00 0.00 174.62 172.23 1wfo s VAL 77 N 5.08 5.05 -0.03 3.82 1.01 -1.26 -3.47 120.40 130.60 1wfo s VAL 77 Ca 0.38 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.30 1wfo s VAL 77 Cb -0.09 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1wfo s VAL 77 CO 0.21 0.49 -0.10 -0.70 0.00 0.00 0.00 175.10 175.00 1wfo s GLU 78 N -0.51 1.00 -0.16 2.72 2.12 -1.00 -4.99 118.70 117.88 1wfo s GLU 78 Ca 0.25 -0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.12 1wfo s GLU 78 Cb -0.16 -0.93 -0.05 0.00 0.26 0.00 0.00 34.13 33.25 1wfo s GLU 78 CO 0.13 0.13 0.27 0.08 -0.54 0.00 0.00 175.26 175.32 1wfo s VAL 79 N 0.16 5.32 0.46 3.70 1.01 -1.26 -0.71 120.40 129.07 1wfo s VAL 79 Ca -0.03 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1wfo s VAL 79 Cb -0.08 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1wfo s VAL 79 CO 0.00 0.40 0.32 -0.76 0.00 0.00 0.00 175.10 175.07 1wfo s LEU 80 N 0.41 3.08 0.76 3.92 1.43 0.50 -4.91 118.68 123.87 1wfo s LEU 80 Ca 0.15 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1wfo s LEU 80 Cb -0.13 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1wfo s LEU 80 CO 0.03 -0.76 1.13 0.00 0.23 0.00 0.00 176.35 176.98 1wfo s ALA 81 N -2.61 2.79 -1.54 4.21 0.00 -1.26 -0.23 121.76 123.12 1wfo s ALA 81 Ca 0.41 -0.58 0.23 0.00 0.00 0.00 0.00 51.96 52.02 1wfo s ALA 81 Cb -0.01 -2.93 1.21 0.00 0.00 0.00 0.00 23.12 21.39 1wfo s ALA 81 CO 0.24 -1.45 1.76 -0.35 0.00 0.00 0.00 175.76 175.95 1wfo n PRO 82 N -3.16 0.41 -1.20 0.00 -0.04 -1.23 -2.63 135.00 127.15 1wfo n PRO 82 Ca 0.08 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1wfo n PRO 82 Cb 0.60 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.23 3.39 -4.67 3.54 7.64 -1.26 -4.86 113.62 116.17 1wfo n SER 83 Ca 0.12 -3.82 -0.36 0.00 1.01 0.00 0.00 58.87 55.82 1wfo n SER 83 Cb 0.16 -0.52 -0.09 0.00 -1.01 0.00 0.00 64.21 62.75 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 -3.41 3.59 -0.07 -0.43 0.00 -1.08 -4.94 121.76 115.42 1wfo s ALA 84 Ca 0.46 -0.82 0.12 0.00 0.00 0.00 0.00 51.96 51.72 1wfo s ALA 84 Cb 0.40 -2.22 -0.17 0.00 0.00 0.00 0.00 23.12 21.14 1wfo s ALA 84 CO -0.01 -0.05 0.14 0.54 0.00 0.00 0.00 175.76 176.38 1wfo n ARG 85 N 3.98 1.35 -3.87 0.00 5.12 -1.26 -4.96 116.66 117.01 1wfo n ARG 85 Ca -0.16 -0.05 -0.09 0.00 -1.93 0.00 0.00 57.85 55.62 1wfo n ARG 85 Cb 0.52 -1.30 -0.08 0.00 -1.16 0.00 0.00 32.46 30.43 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 -2.54 0.74 -0.03 5.56 -2.07 -1.26 -0.48 119.66 119.58 1wfo s GLN 86 Ca -0.05 -0.82 -0.01 0.00 -1.82 0.00 0.00 55.36 52.66 1wfo s GLN 86 Cb 0.06 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1wfo s GLN 86 CO 0.51 -0.22 0.04 -0.47 -1.32 0.00 0.00 175.29 173.83 1wfo s TYR 87 N -3.21 0.07 -0.10 9.60 5.04 -0.87 -5.01 117.35 122.87 1wfo s TYR 87 Ca 0.00 0.17 -0.21 0.00 -2.44 0.00 0.00 57.07 54.59 1wfo s TYR 87 Cb 0.02 -0.36 -0.04 0.00 0.35 0.00 0.00 41.96 41.94 1wfo s TYR 87 CO -0.07 -0.14 0.60 0.99 -1.34 0.00 0.00 175.55 175.59 1wfo s THR 88 N 1.52 5.10 0.15 4.34 2.01 -1.26 -3.16 115.64 124.35 1wfo s THR 88 Ca -0.03 1.21 0.05 0.00 0.31 0.00 0.00 61.69 63.24 1wfo s THR 88 Cb -0.13 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1wfo s THR 88 CO -0.03 0.27 0.08 0.00 -0.69 0.00 0.00 174.62 174.25 1wfo s ALA 89 N 0.85 3.44 0.01 7.40 0.00 0.30 -4.96 121.76 128.80 1wfo s ALA 89 Ca 0.32 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 1wfo s ALA 89 Cb -0.16 -1.25 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1wfo s ALA 89 CO 0.14 0.54 0.51 0.95 0.00 0.00 0.00 175.76 177.90 1wfo s THR 90 N -1.68 0.03 0.00 0.00 -4.23 -1.26 -0.90 115.64 107.60 1wfo s THR 90 Ca 0.29 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1wfo s THR 90 Cb -0.10 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1wfo s THR 90 CO 0.21 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1wfo n GLY 91 N 0.67 0.67 3.77 3.99 0.00 0.16 -4.93 105.19 109.52 1wfo n GLY 91 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1wfo n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfo s LEU 92 N 0.00 3.07 -0.09 0.99 1.02 -1.22 -5.00 118.68 117.46 1wfo s LEU 92 Ca 0.00 1.83 -0.17 0.00 0.02 0.00 0.00 54.13 55.81 1wfo s LEU 92 Cb 0.00 -4.52 -0.05 0.00 0.02 0.00 0.00 46.19 41.64 1wfo s LEU 92 CO 0.00 -1.97 0.44 -0.75 0.02 0.00 0.00 176.35 174.09 1wfo s LYS 93 N -4.83 4.22 0.59 1.70 2.20 -1.26 -3.80 119.74 118.57 1wfo s LYS 93 Ca 0.62 0.40 -0.16 0.00 -0.36 0.00 0.00 55.97 56.47 1wfo s LYS 93 Cb -0.17 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1wfo s LYS 93 CO 0.54 0.32 1.05 -1.25 -0.36 0.00 0.00 175.35 175.65 1wfo s PRO 94 N 0.13 3.38 -0.84 4.03 0.04 -1.26 -3.91 135.00 136.56 1wfo s PRO 94 Ca 0.24 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1wfo s PRO 94 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1wfo s PRO 94 CO 0.10 -0.76 0.72 0.39 0.04 0.00 0.00 177.00 177.50 1wfo n GLU 95 N -2.02 -4.82 -3.72 4.56 -0.58 0.10 -4.98 120.64 109.19 1wfo n GLU 95 Ca 0.08 0.54 -0.12 0.00 -0.42 0.00 0.00 57.16 57.24 1wfo n GLU 95 Cb 0.53 -4.68 -0.01 0.00 -0.57 0.00 0.00 31.44 26.71 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 -1.78 -1.48 -4.10 1.62 7.64 -1.25 -4.98 113.62 109.29 1wfo n SER 96 Ca -0.07 -2.67 -0.25 0.00 1.01 0.00 0.00 58.87 56.89 1wfo n SER 96 Cb 0.57 2.65 -0.16 0.00 -1.01 0.00 0.00 64.21 66.26 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 -2.63 1.29 -0.02 0.44 1.01 -1.26 -1.29 120.40 117.94 1wfo s VAL 97 Ca 0.23 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1wfo s VAL 97 Cb -0.02 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wfo s VAL 97 CO 0.17 0.38 -0.22 -0.31 0.00 0.00 0.00 175.10 175.12 1wfo s TYR 98 N 0.14 2.03 -0.31 5.22 2.02 -0.90 0.36 117.35 125.92 1wfo s TYR 98 Ca -0.05 -0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 1wfo s TYR 98 Cb -0.12 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1wfo s TYR 98 CO 0.02 -0.06 0.40 -1.17 -1.57 0.00 0.00 175.55 173.18 1wfo s LEU 99 N -0.46 4.22 -0.38 -1.29 1.98 0.08 -1.04 118.68 121.79 1wfo s LEU 99 Ca 0.07 0.08 -0.14 0.00 -2.89 0.00 0.00 54.13 51.25 1wfo s LEU 99 Cb -0.09 -2.44 0.00 0.00 0.66 0.00 0.00 46.19 44.32 1wfo s LEU 99 CO -0.00 -0.29 0.27 -0.36 -1.89 0.00 0.00 176.35 174.08 1wfo s PHE 100 N 2.13 3.24 -0.35 5.38 0.40 0.59 -3.10 117.98 126.27 1wfo s PHE 100 Ca 0.15 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1wfo s PHE 100 Cb -0.16 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.84 1wfo s PHE 100 CO 0.11 -0.49 0.19 0.50 0.70 0.00 0.00 175.22 176.23 1wfo s ARG 101 N 1.70 3.02 -0.11 0.44 3.52 0.28 0.06 118.95 127.86 1wfo s ARG 101 Ca 0.05 -0.94 -0.09 0.00 -0.13 0.00 0.00 55.73 54.62 1wfo s ARG 101 Cb -0.18 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 1wfo s ARG 101 CO 0.10 -0.59 0.20 0.42 -0.81 0.00 0.00 175.30 174.62 1wfo s ILE 102 N 1.58 5.39 0.07 4.11 1.01 0.79 -1.14 121.20 133.00 1wfo s ILE 102 Ca 0.03 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1wfo s ILE 102 Cb -0.18 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1wfo s ILE 102 CO 0.07 0.57 0.21 -0.89 0.00 0.00 0.00 174.94 174.90 1wfo s THR 103 N -0.73 0.12 0.29 2.92 2.01 0.59 -0.25 115.64 120.60 1wfo s THR 103 Ca 0.16 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1wfo s THR 103 Cb -0.13 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1wfo s THR 103 CO 0.05 -0.54 0.17 0.00 -0.69 0.00 0.00 174.62 173.60 1wfo s ALA 104 N -3.22 3.54 -0.16 7.40 0.00 -1.26 0.10 121.76 128.16 1wfo s ALA 104 Ca -0.00 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1wfo s ALA 104 Cb 0.02 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 22.10 1wfo s ALA 104 CO -0.07 0.16 -0.14 -1.14 0.00 0.00 0.00 175.76 174.57 1wfo s GLN 105 N -3.84 2.30 0.00 0.00 0.74 0.40 -3.75 119.66 115.50 1wfo s GLN 105 Ca 0.35 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 55.11 1wfo s GLN 105 Cb -0.06 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 31.83 1wfo s GLN 105 CO 0.24 -0.28 0.00 0.25 -0.55 0.00 0.00 175.29 174.95 1wfo n THR 106 N 4.74 0.00 0.40 -0.34 -2.24 -0.12 0.19 114.28 116.90 1wfo n THR 106 Ca -0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1wfo n THR 106 Cb 0.49 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.13 1wfo n THR 106 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wfo h ARG 107 N 0.00 0.00 0.09 -0.78 0.11 -1.94 -3.05 114.38 108.81 1wfo h ARG 107 Ca 0.00 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.77 1wfo h ARG 107 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1wfo h ARG 107 CO 0.00 0.00 -1.62 0.87 0.10 0.00 0.00 179.97 179.32 1wfo h LYS 108 N 0.00 0.19 0.00 0.08 1.79 -1.95 -3.51 116.57 113.17 1wfo h LYS 108 Ca 0.00 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1wfo h LYS 108 Cb 0.70 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1wfo h LYS 108 CO 0.00 1.01 0.00 0.41 -1.08 0.00 0.00 179.45 179.79 1wfo n GLY 109 N 1.68 0.30 3.26 3.86 0.00 -1.15 -4.92 105.19 108.22 1wfo n GLY 109 Ca -0.18 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 1wfo n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wfo s TRP 110 N -2.88 3.22 0.00 1.61 0.52 -1.26 -0.95 118.94 119.21 1wfo s TRP 110 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 56.10 54.65 1wfo s TRP 110 Cb 0.00 -2.22 0.00 0.00 -1.15 0.00 0.00 33.47 30.10 1wfo s TRP 110 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 176.95 176.66 1wfo n GLY 111 N 4.77 -1.24 3.19 0.98 0.00 -1.25 -4.98 105.19 106.66 1wfo n GLY 111 Ca -0.13 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1wfo n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wfo n GLU 112 N 0.00 -0.78 -3.79 1.61 2.13 -0.97 -4.76 120.64 114.08 1wfo n GLU 112 Ca 0.00 -0.21 -0.14 0.00 0.66 0.00 0.00 57.16 57.47 1wfo n GLU 112 Cb 0.00 -1.45 -0.15 0.00 0.27 0.00 0.00 31.44 30.11 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wfo s ALA 113 N -2.17 -0.05 -0.22 4.31 0.00 -1.26 -4.37 121.76 118.00 1wfo s ALA 113 Ca 0.49 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1wfo s ALA 113 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1wfo s ALA 113 CO 0.68 -0.09 0.57 0.00 0.00 0.00 0.00 175.76 176.92 1wfo s ALA 114 N 0.76 3.57 -0.24 0.00 0.00 0.66 -4.84 121.76 121.67 1wfo s ALA 114 Ca -0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 1wfo s ALA 114 Cb -0.09 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1wfo s ALA 114 CO -0.03 -0.60 0.14 -1.21 0.00 0.00 0.00 175.76 174.07 1wfo s GLU 115 N 2.00 3.99 -0.02 0.00 2.02 -1.26 -0.15 118.70 125.28 1wfo s GLU 115 Ca 0.25 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.94 1wfo s GLU 115 Cb -0.16 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.59 1wfo s GLU 115 CO 0.09 0.02 -0.03 0.00 0.02 0.00 0.00 175.26 175.36 1wfo s ALA 116 N 1.17 0.46 0.06 5.21 0.00 0.11 -4.94 121.76 123.82 1wfo s ALA 116 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1wfo s ALA 116 Cb -0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1wfo s ALA 116 CO 0.05 0.01 0.26 -0.51 0.00 0.00 0.00 175.76 175.58 1wfo s LEU 117 N 0.58 4.34 -0.19 0.00 1.43 -1.26 0.22 118.68 123.79 1wfo s LEU 117 Ca -0.07 0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1wfo s LEU 117 Cb -0.10 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.28 1wfo s LEU 117 CO -0.01 0.17 0.42 0.54 0.23 0.00 0.00 176.35 177.71 1wfo s VAL 118 N -1.47 -0.57 0.49 -1.59 0.11 -0.21 -4.94 120.40 112.21 1wfo s VAL 118 Ca 0.34 0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.37 1wfo s VAL 118 Cb -0.13 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 1wfo s VAL 118 CO 0.23 0.07 0.96 -0.69 -3.33 0.00 0.00 175.10 172.34 1wfo s VAL 119 N 2.46 4.51 -0.32 2.04 1.01 -1.26 -2.11 120.40 126.73 1wfo s VAL 119 Ca -0.03 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 1wfo s VAL 119 Cb -0.12 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 1wfo s VAL 119 CO -0.13 -0.58 0.16 0.42 0.00 0.00 0.00 175.10 174.98 1wfo s THR 120 N -2.49 4.62 -0.03 3.92 -4.23 -0.41 -4.87 115.64 112.15 1wfo s THR 120 Ca 0.59 -0.49 -0.31 0.00 -1.18 0.00 0.00 61.69 60.31 1wfo s THR 120 Cb -0.10 -3.40 0.12 0.00 1.34 0.00 0.00 72.50 70.47 1wfo s THR 120 CO 0.26 0.01 1.32 0.28 -0.54 0.00 0.00 174.62 175.95 1wfo s THR 121 N 1.61 0.00 -0.11 3.99 -1.32 -1.22 0.02 115.64 118.61 1wfo s THR 121 Ca 0.04 -0.17 0.16 0.00 -1.21 0.00 0.00 61.69 60.51 1wfo s THR 121 Cb -0.17 -2.15 -0.20 0.00 -1.51 0.00 0.00 72.50 68.46 1wfo s THR 121 CO 0.06 0.00 0.58 -0.62 -2.21 0.00 0.00 174.62 172.44 1wfo n GLU 122 N -0.56 0.64 -1.87 7.08 1.02 -1.26 -4.27 120.64 121.43 1wfo n GLU 122 Ca -0.07 0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 1wfo n GLU 122 Cb 0.62 -1.72 0.13 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.76 1.34 -0.14 3.49 3.01 -1.26 -5.04 119.74 118.38 1wfo s LYS 123 Ca -0.05 -0.07 -0.11 0.00 -1.01 0.00 0.00 55.97 54.73 1wfo s LYS 123 Cb 0.08 -1.90 -0.04 0.00 -1.01 0.00 0.00 37.83 34.97 1wfo s LYS 123 CO 0.83 -1.99 -0.21 -2.13 0.51 0.00 0.00 175.35 172.35 1wfo n ARG 124 N -3.55 0.42 -3.61 1.68 0.63 -1.26 -5.08 116.66 105.89 1wfo n ARG 124 Ca 0.11 0.39 -0.08 0.00 -0.92 0.00 0.00 57.85 57.34 1wfo n ARG 124 Cb 0.60 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 32.01 1wfo n ARG 124 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wfo s SER 125 N -5.54 -0.37 -0.40 6.15 0.15 -1.26 -5.11 113.70 107.33 1wfo s SER 125 Ca -0.17 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1wfo s SER 125 Cb 0.02 0.55 0.16 0.00 -1.71 0.00 0.00 66.02 65.04 1wfo s SER 125 CO 0.26 -0.95 0.36 -0.83 1.20 0.00 0.00 173.24 173.29 1wfo s GLY 126 N -2.76 0.43 0.15 9.45 0.00 -1.26 -5.13 107.32 108.21 1wfo s GLY 126 Ca 0.07 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 1wfo s GLY 126 CO -0.04 2.50 1.13 2.56 0.00 0.00 0.00 173.10 179.24 1wfo s PRO 127 N 0.85 4.54 -0.41 2.90 0.04 -1.26 -5.01 135.00 136.64 1wfo s PRO 127 Ca 0.24 1.74 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1wfo s PRO 127 Cb -0.09 -3.29 0.11 0.00 0.04 0.00 0.00 34.50 31.26 1wfo s PRO 127 CO -0.07 -0.03 0.13 0.45 0.04 0.00 0.00 177.00 177.52 1wfo s SER 128 N 0.22 4.59 -0.11 6.66 0.15 -1.26 -5.08 113.70 118.87 1wfo s SER 128 Ca 0.52 -2.50 -0.30 0.00 0.70 0.00 0.00 55.95 54.38 1wfo s SER 128 Cb -0.30 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.35 1wfo s SER 128 CO 0.34 -0.32 1.35 -0.44 1.20 0.00 0.00 173.24 175.37 1wfo s SER 129 N 0.43 6.89 0.00 5.45 0.01 -1.26 -5.38 113.70 119.84 1wfo s SER 129 Ca 0.13 1.87 0.13 0.00 1.31 0.00 0.00 55.95 59.39 1wfo s SER 129 Cb -0.22 -2.54 0.78 0.00 0.21 0.00 0.00 66.02 64.25 1wfo s SER 129 CO -0.05 -0.77 1.21 0.61 0.41 0.00 0.00 173.24 174.65