#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 -0.06 0.00 1.61 0.01 -1.26 -5.19 113.70 108.81 1wfo s SER 2 Ca 0.00 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1wfo s SER 2 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1wfo s SER 2 CO 0.00 -0.05 0.00 -1.20 0.41 0.00 0.00 173.24 172.40 1wfo n SER 3 N 0.66 0.00 -3.82 2.44 7.64 -1.26 -5.18 113.62 114.09 1wfo n SER 3 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 1wfo n SER 3 Cb 0.59 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 1wfo n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfo s GLY 4 N 0.00 -0.01 0.00 0.23 0.00 -1.26 -5.17 107.32 101.11 1wfo s GLY 4 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1wfo s GLY 4 CO 0.00 -0.34 0.00 1.44 0.00 0.00 0.00 173.10 174.20 1wfo n SER 5 N 0.78 0.00 -3.56 1.64 7.64 -1.26 -5.19 113.62 113.67 1wfo n SER 5 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.59 1wfo n SER 5 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 1wfo n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfo s SER 6 N 0.00 -0.46 0.00 6.43 1.04 -1.26 -5.13 113.70 114.32 1wfo s SER 6 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1wfo s SER 6 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1wfo s SER 6 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1wfo n GLY 7 N -0.39 0.04 2.92 7.32 0.00 -1.26 -5.08 105.19 108.74 1wfo n GLY 7 Ca -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 1wfo n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wfo n ARG 8 N 0.00 -2.20 -4.49 1.61 0.00 -1.26 -5.03 116.66 105.29 1wfo n ARG 8 Ca 0.00 1.97 -0.23 0.00 -0.00 0.00 0.00 57.85 59.59 1wfo n ARG 8 Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 32.46 28.72 1wfo n ARG 8 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wfo s ILE 9 N -1.42 1.75 0.00 5.15 -5.25 -1.26 -5.10 121.20 115.07 1wfo s ILE 9 Ca 0.02 -2.10 0.00 0.00 -0.99 0.00 0.00 60.65 57.58 1wfo s ILE 9 Cb -0.00 -2.65 0.00 0.00 2.95 0.00 0.00 42.46 42.76 1wfo s ILE 9 CO 0.49 -0.17 0.00 0.61 -1.79 0.00 0.00 174.94 174.07 1wfo n GLY 10 N -0.71 3.06 3.65 6.27 0.00 -1.26 -5.16 105.19 111.04 1wfo n GLY 10 Ca -0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 1wfo n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wfo s ASP 11 N 0.00 -0.06 0.00 1.61 -4.77 -1.26 -5.16 116.67 107.03 1wfo s ASP 11 Ca 0.00 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.36 1wfo s ASP 11 Cb 0.00 0.31 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 1wfo s ASP 11 CO 0.00 -0.02 0.00 0.61 0.70 0.00 0.00 175.17 176.46 1wfo n GLY 12 N 1.91 3.54 0.00 2.12 0.00 -1.26 -5.13 105.19 106.37 1wfo n GLY 12 Ca -0.12 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1wfo n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfo n SER 13 N 0.00 0.00 -4.74 1.61 3.41 -1.26 -5.17 113.62 107.47 1wfo n SER 13 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1wfo n SER 13 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1wfo n SER 13 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wfo s PRO 14 N 0.00 1.06 0.00 4.33 0.04 -1.26 -5.08 135.00 134.09 1wfo s PRO 14 Ca 0.00 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1wfo s PRO 14 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1wfo s PRO 14 CO 0.00 -2.25 0.00 -1.13 0.04 0.00 0.00 177.00 173.66 1wfo n SER 15 N -3.79 0.00 -3.91 6.66 3.41 -1.26 -5.18 113.62 109.55 1wfo n SER 15 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 1wfo n SER 15 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 1wfo n SER 15 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wfo s HIS 16 N -2.00 0.10 0.39 7.33 3.76 -1.26 -5.15 115.29 118.47 1wfo s HIS 16 Ca 0.00 -0.22 -0.24 0.00 -0.15 0.00 0.00 55.06 54.45 1wfo s HIS 16 Cb 0.00 -0.09 -0.09 0.00 1.11 0.00 0.00 32.58 33.51 1wfo s HIS 16 CO 0.00 -0.18 1.06 -1.25 -0.85 0.00 0.00 174.74 173.52 1wfo s PRO 17 N -1.03 4.18 0.69 8.40 0.04 -1.26 -5.03 135.00 140.98 1wfo s PRO 17 Ca -0.11 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1wfo s PRO 17 Cb -0.07 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1wfo s PRO 17 CO 0.00 -0.13 1.06 -1.25 0.04 0.00 0.00 177.00 176.72 1wfo s PRO 18 N -2.43 2.98 0.06 0.56 0.04 -1.26 -5.00 135.00 129.95 1wfo s PRO 18 Ca 0.57 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1wfo s PRO 18 Cb -0.23 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1wfo s PRO 18 CO 0.29 -1.07 1.06 0.42 0.04 0.00 0.00 177.00 177.74 1wfo s ILE 19 N -3.00 4.42 -0.30 0.56 1.09 -1.26 -5.00 121.20 117.72 1wfo s ILE 19 Ca 0.58 1.82 -0.04 0.00 -1.10 0.00 0.00 60.65 61.91 1wfo s ILE 19 Cb -0.14 -4.16 0.19 0.00 -1.06 0.00 0.00 42.46 37.28 1wfo s ILE 19 CO 0.53 0.18 0.79 -0.22 -0.10 0.00 0.00 174.94 176.13 1wfo s LEU 20 N 0.70 -1.04 0.00 2.97 0.20 -1.26 -5.12 118.68 115.13 1wfo s LEU 20 Ca 0.53 0.45 0.00 0.00 0.69 0.00 0.00 54.13 55.80 1wfo s LEU 20 Cb -0.25 1.79 0.00 0.00 -0.43 0.00 0.00 46.19 47.30 1wfo s LEU 20 CO 0.30 -0.19 0.00 -0.62 -0.29 0.00 0.00 176.35 175.54 1wfo n GLU 21 N 5.40 0.00 -3.68 1.98 1.02 -1.26 -5.12 120.64 118.97 1wfo n GLU 21 Ca -0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1wfo n GLU 21 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.85 1wfo n GLU 21 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wfo s ARG 22 N 0.00 2.33 0.02 3.49 3.00 -1.26 -4.95 118.95 121.59 1wfo s ARG 22 Ca 0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 55.73 53.85 1wfo s ARG 22 Cb 0.00 -3.69 -0.16 0.00 0.00 0.00 0.00 34.95 31.10 1wfo s ARG 22 CO 0.00 -1.02 1.37 1.15 0.00 0.00 0.00 175.30 176.80 1wfo h THR 23 N 6.23 1.32 -3.31 0.02 2.02 -2.00 -3.45 112.91 113.75 1wfo h THR 23 Ca -0.19 -1.07 -0.56 0.00 0.77 0.00 0.00 66.41 65.36 1wfo h THR 23 Cb 1.07 1.84 0.18 0.00 -1.74 0.00 0.00 68.15 69.50 1wfo h THR 23 CO 0.74 0.30 -0.25 0.18 0.37 0.00 0.00 175.52 176.86 1wfo n LEU 24 N -4.74 1.63 -3.90 2.58 4.77 -1.26 -4.98 117.00 111.11 1wfo n LEU 24 Ca -0.07 0.66 -0.30 0.00 -0.03 0.00 0.00 56.01 56.27 1wfo n LEU 24 Cb 0.27 -1.26 -0.15 0.00 -2.33 0.00 0.00 43.42 39.95 1wfo n LEU 24 CO 0.36 -2.77 -0.36 -1.81 -1.33 0.00 0.00 177.39 171.48 1wfo s ASP 25 N -1.42 4.23 0.15 -1.43 1.01 -1.26 -4.66 116.67 113.29 1wfo s ASP 25 Ca 0.69 -1.68 -0.23 0.00 0.71 0.00 0.00 52.55 52.04 1wfo s ASP 25 Cb -0.37 -1.22 0.08 0.00 1.01 0.00 0.00 42.92 42.41 1wfo s ASP 25 CO 0.55 -0.35 1.07 -0.90 0.21 0.00 0.00 175.17 175.75 1wfo n ASP 26 N 4.59 -1.65 -4.93 0.27 5.68 -1.20 -5.08 116.55 114.23 1wfo n ASP 26 Ca -0.03 -1.80 -0.25 0.00 -0.50 0.00 0.00 54.79 52.21 1wfo n ASP 26 Cb 0.43 2.66 -0.00 0.00 -1.14 0.00 0.00 41.12 43.07 1wfo n ASP 26 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1wfo s VAL 27 N -2.05 4.82 1.09 2.12 -7.23 -1.26 -4.27 120.40 113.61 1wfo s VAL 27 Ca 0.24 -0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 60.07 1wfo s VAL 27 Cb -0.02 -3.80 0.25 0.00 0.56 0.00 0.00 36.38 33.37 1wfo s VAL 27 CO 0.05 -0.65 1.22 -2.16 -0.31 0.00 0.00 175.10 173.25 1wfo s PRO 28 N -4.56 -0.39 0.00 4.82 0.04 -1.16 -4.73 135.00 129.02 1wfo s PRO 28 Ca 0.45 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1wfo s PRO 28 Cb -0.10 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1wfo s PRO 28 CO 0.40 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1wfo n GLY 29 N -2.39 1.76 3.73 0.56 0.00 -1.21 -2.78 105.19 104.86 1wfo n GLY 29 Ca 0.15 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.93 4.54 -0.50 1.61 0.04 -1.26 -4.01 135.00 134.48 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 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1wfo s PRO 30 CO 0.00 -0.03 1.47 -1.25 0.04 0.00 0.00 177.00 177.22 1wfo s PRO 31 N 0.02 3.34 0.48 0.56 0.04 -1.26 -4.68 135.00 133.51 1wfo s PRO 31 Ca 0.52 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 1wfo s PRO 31 Cb -0.30 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 1wfo s PRO 31 CO 0.34 -1.87 0.78 0.00 0.04 0.00 0.00 177.00 176.28 1wfo s MET 32 N 5.44 3.49 0.00 4.56 0.23 -1.26 -4.54 119.30 127.22 1wfo s MET 32 Ca 0.58 0.14 0.00 0.00 -1.03 0.00 0.00 55.69 55.38 1wfo s MET 32 Cb -0.12 -2.39 0.00 0.00 -1.53 0.00 0.00 34.83 30.79 1wfo s MET 32 CO 0.28 -0.22 0.00 0.41 -2.03 0.00 0.00 175.02 173.46 1wfo n GLY 33 N -2.25 0.72 3.57 3.16 0.00 -1.26 -2.70 105.19 106.43 1wfo n GLY 33 Ca 0.00 -0.33 -0.41 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 -2.35 4.95 0.04 -0.61 -1.09 -1.26 -3.83 121.20 117.06 1wfo s ILE 34 Ca 0.00 0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1wfo s ILE 34 Cb 0.00 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1wfo s ILE 34 CO 0.00 -0.23 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.71 1wfo s LEU 35 N 2.56 2.35 -0.45 2.97 1.43 -1.05 -5.02 118.68 121.48 1wfo s LEU 35 Ca 0.22 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1wfo s LEU 35 Cb -0.15 0.24 0.12 0.00 0.03 0.00 0.00 46.19 46.43 1wfo s LEU 35 CO 0.13 -0.54 0.18 -0.36 0.23 0.00 0.00 176.35 176.00 1wfo s PHE 36 N -3.31 3.23 -0.08 0.29 0.40 -1.26 -1.14 117.98 116.10 1wfo s PHE 36 Ca 0.01 -3.01 -0.27 0.00 -0.60 0.00 0.00 56.93 53.06 1wfo s PHE 36 Cb 0.03 -2.75 -0.23 0.00 0.51 0.00 0.00 43.02 40.59 1wfo s PHE 36 CO -0.08 -0.82 1.00 -1.00 0.70 0.00 0.00 175.22 175.02 1wfo h PRO 37 N 6.94 -0.01 -4.86 0.24 0.13 -1.79 -3.04 132.00 129.62 1wfo h PRO 37 Ca -0.06 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 1wfo h PRO 37 Cb 0.94 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.72 1wfo h PRO 37 CO 0.61 0.73 -0.77 -2.00 -0.23 0.00 0.00 178.00 176.34 1wfo s GLU 38 N -3.20 2.41 -0.12 0.86 2.12 -1.14 -4.72 118.70 114.92 1wfo s GLU 38 Ca -0.17 -1.25 -0.04 0.00 0.36 0.00 0.00 54.97 53.87 1wfo s GLU 38 Cb -0.01 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.47 1wfo s GLU 38 CO 0.67 -0.54 0.08 0.54 -0.54 0.00 0.00 175.26 175.47 1wfo s VAL 39 N 1.18 -0.10 0.00 3.70 0.11 -1.26 0.25 120.40 124.28 1wfo s VAL 39 Ca -0.06 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1wfo s VAL 39 Cb -0.19 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1wfo s VAL 39 CO -0.04 -0.09 0.00 0.54 -3.33 0.00 0.00 175.10 172.17 1wfo n ARG 40 N 5.29 2.71 0.00 1.54 1.74 0.67 -4.47 116.66 124.14 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 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 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 -0.17 0.00 0.27 0.55 -2.24 -1.26 -2.46 114.28 108.97 1wfo n THR 41 Ca 0.00 0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.95 1wfo n THR 41 Cb 0.00 -0.38 0.12 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.43 1.26 -3.62 4.28 -2.24 -1.25 -4.26 114.28 108.01 1wfo n THR 42 Ca 0.00 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.17 1wfo n THR 42 Cb 0.00 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 1wfo n THR 42 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfo s SER 43 N -0.15 -0.70 0.21 3.42 0.01 -1.26 -0.81 113.70 114.42 1wfo s SER 43 Ca 0.20 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.56 1wfo s SER 43 Cb 0.16 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.71 1wfo s SER 43 CO 0.05 -0.17 0.09 0.68 0.41 0.00 0.00 173.24 174.31 1wfo s VAL 44 N 1.62 0.29 -0.25 3.43 -7.23 0.86 0.24 120.40 119.35 1wfo s VAL 44 Ca -0.09 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1wfo s VAL 44 Cb -0.05 -2.44 0.14 0.00 0.56 0.00 0.00 36.38 34.59 1wfo s VAL 44 CO -0.17 -0.12 0.41 -0.60 -0.31 0.00 0.00 175.10 174.31 1wfo s ARG 45 N -4.07 0.38 0.41 4.82 3.52 0.70 -0.44 118.95 124.26 1wfo s ARG 45 Ca 0.35 0.56 0.08 0.00 -0.13 0.00 0.00 55.73 56.58 1wfo s ARG 45 Cb 0.07 -0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.09 1wfo s ARG 45 CO 0.10 -0.67 0.31 -0.48 -0.81 0.00 0.00 175.30 173.75 1wfo s LEU 46 N 2.59 3.32 0.19 -0.88 2.34 -1.11 -2.88 118.68 122.24 1wfo s LEU 46 Ca 0.13 -0.83 0.02 0.00 0.06 0.00 0.00 54.13 53.51 1wfo s LEU 46 Cb -0.15 -1.87 -0.05 0.00 -0.56 0.00 0.00 46.19 43.56 1wfo s LEU 46 CO -0.18 -0.59 0.02 0.27 -1.06 0.00 0.00 176.35 174.81 1wfo s ILE 47 N -2.50 0.62 0.38 1.48 -0.00 -0.29 -2.18 121.20 118.70 1wfo s ILE 47 Ca 0.45 -1.98 -0.15 0.00 -0.00 0.00 0.00 60.65 58.97 1wfo s ILE 47 Cb -0.01 -2.21 0.05 0.00 -0.00 0.00 0.00 42.46 40.29 1wfo s ILE 47 CO 0.26 -0.39 0.77 -1.66 -0.00 0.00 0.00 174.94 173.92 1wfo s TRP 48 N -3.70 0.17 0.15 1.37 -2.14 0.10 -2.52 118.94 112.37 1wfo s TRP 48 Ca 0.26 -0.81 0.02 0.00 2.66 0.00 0.00 56.10 58.23 1wfo s TRP 48 Cb 0.06 0.77 -0.04 0.00 -3.10 0.00 0.00 33.47 31.16 1wfo s TRP 48 CO 0.06 -1.53 -0.02 -0.65 -2.66 0.00 0.00 176.95 172.14 1wfo s GLN 49 N -2.41 1.01 0.54 3.25 -0.21 -1.10 -4.67 119.66 116.08 1wfo s GLN 49 Ca 0.16 -1.46 -0.18 0.00 0.02 0.00 0.00 55.36 53.90 1wfo s GLN 49 Cb -0.05 -0.24 -0.06 0.00 1.00 0.00 0.00 33.01 33.66 1wfo s GLN 49 CO 0.12 -0.09 1.04 -1.25 -2.12 0.00 0.00 175.29 172.99 1wfo s PRO 50 N -3.89 3.58 -0.06 2.91 0.04 -1.26 -3.98 135.00 132.35 1wfo s PRO 50 Ca 0.20 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1wfo s PRO 50 Cb 0.06 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO 0.01 -0.60 1.22 -1.25 0.04 0.00 0.00 177.00 176.42 1wfo s PRO 51 N -3.70 4.34 0.57 0.56 0.04 -1.26 -4.74 135.00 130.80 1wfo s PRO 51 Ca 0.65 1.69 0.33 0.00 0.04 0.00 0.00 61.00 63.71 1wfo s PRO 51 Cb -0.16 -3.57 1.43 0.00 0.04 0.00 0.00 34.50 32.24 1wfo s PRO 51 CO 0.29 -0.47 1.74 0.00 0.04 0.00 0.00 177.00 178.59 1wfo h ALA 52 N 7.54 2.81 -3.17 8.56 0.00 -1.94 -2.73 119.26 130.33 1wfo h ALA 52 Ca -0.34 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.89 1wfo h ALA 52 Cb 1.16 0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 1wfo h ALA 52 CO 0.89 -1.30 -0.50 0.00 0.00 0.00 0.00 179.25 178.33 1wfo s ALA 53 N -4.75 3.67 0.13 0.00 0.00 -1.26 -4.90 121.76 114.66 1wfo s ALA 53 Ca -0.04 -3.57 -0.05 0.00 0.00 0.00 0.00 51.96 48.29 1wfo s ALA 53 Cb 0.19 -2.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 1wfo s ALA 53 CO 0.67 -2.08 1.33 -1.00 0.00 0.00 0.00 175.76 174.67 1wfo h PRO 54 N 6.07 0.48 -7.01 0.00 0.13 -1.86 -3.19 132.00 126.62 1wfo h PRO 54 Ca 0.05 -0.47 -0.60 0.00 -0.87 0.00 0.00 66.00 64.11 1wfo h PRO 54 Cb 0.83 0.12 -0.25 0.00 0.13 0.00 0.00 31.00 31.83 1wfo h PRO 54 CO 0.73 1.11 -0.92 0.09 -0.23 0.00 0.00 178.00 178.77 1wfo n ASN 55 N -3.80 -0.74 0.00 1.44 3.02 -1.26 -2.97 115.26 110.95 1wfo n ASN 55 Ca -0.07 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1wfo n ASN 55 Cb 0.80 -1.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 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 -1.83 3.55 3.68 7.41 0.00 -1.26 -3.25 105.19 113.50 1wfo n GLY 56 Ca -0.12 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 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 0.13 -2.63 -0.61 -0.00 -1.26 -4.81 119.36 110.18 1wfo n ILE 57 Ca 0.00 -0.03 -0.42 0.00 -0.00 0.00 0.00 62.75 62.30 1wfo n ILE 57 Cb 0.00 -1.64 -0.03 0.00 -0.00 0.00 0.00 39.64 37.98 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1wfo s ILE 58 N 0.84 4.63 -0.12 1.39 -1.09 -1.26 -4.34 121.20 121.24 1wfo s ILE 58 Ca 0.76 1.89 0.19 0.00 -2.23 0.00 0.00 60.65 61.26 1wfo s ILE 58 Cb -0.64 -4.21 -0.24 0.00 -1.58 0.00 0.00 42.46 35.79 1wfo s ILE 58 CO 0.38 0.13 0.45 0.18 -1.23 0.00 0.00 174.94 174.86 1wfo n LEU 59 N 4.01 0.26 0.00 2.97 4.32 0.53 -4.65 117.00 124.45 1wfo n LEU 59 Ca 0.07 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1wfo n LEU 59 Cb 0.49 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 1wfo n LEU 59 CO 0.53 0.20 0.00 0.00 -1.22 0.00 0.00 177.39 176.90 1wfo n ALA 60 N -2.46 0.00 -2.95 -1.18 0.00 -1.14 -3.66 120.51 109.13 1wfo n ALA 60 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1wfo n ALA 60 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.23 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 0.62 -0.02 0.00 1.51 0.22 -0.27 117.35 116.42 1wfo s TYR 61 Ca 0.00 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 1wfo s TYR 61 Cb 0.00 0.01 0.02 0.00 -0.11 0.00 0.00 41.96 41.87 1wfo s TYR 61 CO 0.00 -0.95 -0.00 -1.14 -1.11 0.00 0.00 175.55 172.35 1wfo s GLN 62 N -3.89 0.24 -0.26 -0.62 0.74 0.18 0.19 119.66 116.24 1wfo s GLN 62 Ca 0.27 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.72 1wfo s GLN 62 Cb 0.01 -0.37 0.07 0.00 1.10 0.00 0.00 33.01 33.82 1wfo s GLN 62 CO 0.11 -0.08 -0.02 0.42 -0.55 0.00 0.00 175.29 175.17 1wfo s ILE 63 N 0.69 1.56 0.27 -2.34 1.01 0.05 -0.35 121.20 122.09 1wfo s ILE 63 Ca -0.07 -1.39 0.04 0.00 0.00 0.00 0.00 60.65 59.23 1wfo s ILE 63 Cb -0.10 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1wfo s ILE 63 CO -0.01 -0.23 0.42 0.42 0.00 0.00 0.00 174.94 175.54 1wfo s THR 64 N 1.35 5.20 -0.24 2.92 -4.23 -0.07 -1.51 115.64 119.07 1wfo s THR 64 Ca -0.02 -0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 59.51 1wfo s THR 64 Cb -0.19 -3.86 0.07 0.00 1.34 0.00 0.00 72.50 69.87 1wfo s THR 64 CO -0.08 -0.40 0.59 -1.38 -0.54 0.00 0.00 174.62 172.81 1wfo s HIS 65 N -2.09 -0.86 -0.28 3.99 -3.43 -1.25 -1.55 115.29 109.83 1wfo s HIS 65 Ca 0.36 1.79 -0.17 0.00 -0.80 0.00 0.00 55.06 56.24 1wfo s HIS 65 Cb -0.09 0.46 0.09 0.00 -1.43 0.00 0.00 32.58 31.61 1wfo s HIS 65 CO 0.31 -0.44 0.76 -0.98 -2.00 0.00 0.00 174.74 172.39 1wfo s ARG 66 N 1.35 0.65 -0.43 -0.38 1.70 -1.21 -3.53 118.95 117.10 1wfo s ARG 66 Ca -0.08 1.08 -0.40 0.00 -0.47 0.00 0.00 55.73 55.85 1wfo s ARG 66 Cb -0.06 0.15 -0.17 0.00 -0.57 0.00 0.00 34.95 34.30 1wfo s ARG 66 CO -0.14 -0.13 1.40 1.28 -1.08 0.00 0.00 175.30 176.63 1wfo n LEU 67 N 4.00 1.02 0.32 -1.89 7.99 -1.26 -2.64 117.00 124.54 1wfo n LEU 67 Ca -0.19 1.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.93 1wfo n LEU 67 Cb 0.58 -0.76 0.65 0.00 -0.11 0.00 0.00 43.42 43.79 1wfo n LEU 67 CO -0.01 -0.72 1.10 -1.13 -1.51 0.00 0.00 177.39 175.13 1wfo h ASN 68 N 4.49 0.00 0.00 -1.43 -1.24 -0.77 -3.42 115.58 113.21 1wfo h ASN 68 Ca -0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1wfo h ASN 68 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1wfo h ASN 68 CO 0.85 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 177.34 1wfo n THR 69 N -2.84 0.00 -1.14 -3.57 -2.24 -1.26 -5.04 114.28 98.18 1wfo n THR 69 Ca -0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1wfo n THR 69 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1wfo n THR 69 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wfo n THR 70 N 0.00 0.00 -2.01 4.28 5.66 -1.26 -3.85 114.28 117.10 1wfo n THR 70 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1wfo n THR 70 Cb 0.00 -0.06 -0.05 0.00 -1.55 0.00 0.00 70.33 68.68 1wfo n THR 70 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wfo s THR 71 N -0.50 3.39 0.63 1.09 -4.23 -1.26 -4.93 115.64 109.83 1wfo s THR 71 Ca 0.00 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 1wfo s THR 71 Cb 0.00 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 1wfo s THR 71 CO 0.00 -0.86 0.95 0.00 -0.54 0.00 0.00 174.62 174.17 1wfo n ALA 72 N 14.01 0.07 -3.09 3.99 0.00 -1.25 -5.00 120.51 129.23 1wfo n ALA 72 Ca 0.36 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.78 1wfo n ALA 72 Cb 0.48 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 1wfo n ALA 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wfo s ASN 73 N -1.35 -1.15 0.22 0.00 3.04 -1.26 -5.14 114.94 109.31 1wfo s ASN 73 Ca 0.76 -0.30 0.00 0.00 0.04 0.00 0.00 52.86 53.36 1wfo s ASN 73 Cb -0.40 1.55 0.00 0.00 -1.54 0.00 0.00 41.25 40.87 1wfo s ASN 73 CO 0.47 -0.16 0.00 0.35 -3.04 0.00 0.00 177.10 174.72 1wfo n THR 74 N 4.59 0.00 -4.05 -5.21 -2.24 -1.26 -4.84 114.28 101.27 1wfo n THR 74 Ca 0.08 0.17 -0.26 0.00 -2.27 0.00 0.00 64.05 61.77 1wfo n THR 74 Cb 0.58 -0.42 -0.17 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.68 1.27 -1.04 6.98 0.00 -1.26 -4.91 121.76 120.13 1wfo s ALA 75 Ca 0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 1wfo s ALA 75 Cb 0.00 -0.82 0.13 0.00 0.00 0.00 0.00 23.12 22.43 1wfo s ALA 75 CO 0.00 -0.29 1.28 0.99 0.00 0.00 0.00 175.76 177.74 1wfo s THR 76 N 1.46 4.69 0.27 0.00 2.01 -1.23 -4.93 115.64 117.91 1wfo s THR 76 Ca 0.00 -1.80 -0.05 0.00 0.31 0.00 0.00 61.69 60.15 1wfo s THR 76 Cb -0.13 -4.87 -0.05 0.00 0.01 0.00 0.00 72.50 67.45 1wfo s THR 76 CO -0.05 -1.62 0.53 0.68 -0.69 0.00 0.00 174.62 173.47 1wfo s VAL 77 N 2.72 5.04 -0.02 3.82 -7.23 -1.26 -3.96 120.40 119.51 1wfo s VAL 77 Ca 0.38 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.62 1wfo s VAL 77 Cb -0.03 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.19 1wfo s VAL 77 CO -0.06 -0.27 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.67 1wfo s GLU 78 N -3.42 0.90 -0.03 4.82 2.12 -0.57 -4.95 118.70 117.57 1wfo s GLU 78 Ca 0.44 -0.29 -0.25 0.00 0.36 0.00 0.00 54.97 55.23 1wfo s GLU 78 Cb -0.11 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 1wfo s GLU 78 CO 0.29 0.12 0.75 0.08 -0.54 0.00 0.00 175.26 175.95 1wfo s VAL 79 N 0.16 4.96 0.42 3.70 1.01 -1.26 -0.77 120.40 128.61 1wfo s VAL 79 Ca -0.02 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.59 1wfo s VAL 79 Cb -0.08 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1wfo s VAL 79 CO 0.00 0.26 0.20 -0.76 0.00 0.00 0.00 175.10 174.81 1wfo s LEU 80 N 0.63 3.10 0.76 3.92 1.43 0.51 -4.90 118.68 124.13 1wfo s LEU 80 Ca 0.40 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 1wfo s LEU 80 Cb -0.19 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1wfo s LEU 80 CO 0.20 -0.59 1.12 0.00 0.23 0.00 0.00 176.35 177.32 1wfo s ALA 81 N -2.60 2.67 -1.85 4.21 0.00 -1.26 0.73 121.76 123.65 1wfo s ALA 81 Ca 0.40 -0.43 0.24 0.00 0.00 0.00 0.00 51.96 52.17 1wfo s ALA 81 Cb 0.03 -3.02 1.35 0.00 0.00 0.00 0.00 23.12 21.49 1wfo s ALA 81 CO 0.22 -1.45 1.78 -0.35 0.00 0.00 0.00 175.76 175.97 1wfo n PRO 82 N -3.20 0.63 -1.46 0.00 -0.04 -1.24 -2.65 135.00 127.04 1wfo n PRO 82 Ca 0.07 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1wfo n PRO 82 Cb 0.58 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1wfo n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfo n SER 83 N -1.08 3.46 -4.59 3.54 2.88 -1.26 -4.88 113.62 111.69 1wfo n SER 83 Ca 0.16 -3.73 -0.35 0.00 -1.33 0.00 0.00 58.87 53.62 1wfo n SER 83 Cb 0.11 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.05 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfo s ALA 84 N -3.38 3.37 -0.12 -1.46 0.00 -1.08 -4.95 121.76 114.13 1wfo s ALA 84 Ca 0.45 -0.86 0.14 0.00 0.00 0.00 0.00 51.96 51.69 1wfo s ALA 84 Cb 0.39 -2.00 -0.20 0.00 0.00 0.00 0.00 23.12 21.31 1wfo s ALA 84 CO -0.01 -0.03 0.12 0.54 0.00 0.00 0.00 175.76 176.38 1wfo n ARG 85 N 3.96 1.35 -4.04 0.00 3.00 -1.26 -4.94 116.66 114.73 1wfo n ARG 85 Ca -0.16 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.85 57.56 1wfo n ARG 85 Cb 0.52 -1.37 -0.09 0.00 0.00 0.00 0.00 32.46 31.52 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wfo s GLN 86 N -2.52 0.82 0.01 5.56 -2.07 -1.26 0.02 119.66 120.21 1wfo s GLN 86 Ca -0.07 -1.21 -0.04 0.00 -1.82 0.00 0.00 55.36 52.22 1wfo s GLN 86 Cb 0.06 0.27 -0.01 0.00 -1.09 0.00 0.00 33.01 32.24 1wfo s GLN 86 CO 0.61 -0.22 0.06 -0.47 -1.32 0.00 0.00 175.29 173.95 1wfo s TYR 87 N -3.95 0.16 -0.20 9.60 5.04 -0.93 -5.02 117.35 122.06 1wfo s TYR 87 Ca 0.12 -0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.34 1wfo s TYR 87 Cb 0.07 -0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 1wfo s TYR 87 CO -0.06 -0.26 0.01 0.99 -1.34 0.00 0.00 175.55 174.90 1wfo s THR 88 N -1.58 4.06 -0.27 4.34 2.01 -1.26 -2.73 115.64 120.20 1wfo s THR 88 Ca -0.14 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1wfo s THR 88 Cb -0.08 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1wfo s THR 88 CO -0.00 0.43 0.09 0.00 -0.69 0.00 0.00 174.62 174.44 1wfo s ALA 89 N 0.97 3.16 0.19 7.40 0.00 0.41 -4.98 121.76 128.91 1wfo s ALA 89 Ca 0.02 -1.23 0.11 0.00 0.00 0.00 0.00 51.96 50.86 1wfo s ALA 89 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1wfo s ALA 89 CO 0.02 -0.63 -0.20 0.95 0.00 0.00 0.00 175.76 175.90 1wfo s THR 90 N 1.60 2.59 -0.28 0.00 -4.23 -1.26 -0.10 115.64 113.95 1wfo s THR 90 Ca 0.05 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1wfo s THR 90 Cb -0.16 -2.25 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 1wfo s THR 90 CO 0.04 -0.11 0.25 0.61 -0.54 0.00 0.00 174.62 174.86 1wfo n GLY 91 N 0.21 0.34 3.54 3.99 0.00 0.01 -4.96 105.19 108.32 1wfo n GLY 91 Ca -0.12 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.55 2.72 -0.15 0.99 1.43 -1.17 -5.02 118.68 113.93 1wfo s LEU 92 Ca 0.10 -1.16 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 1wfo s LEU 92 Cb -0.01 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1wfo s LEU 92 CO 0.20 -0.16 0.46 -0.75 0.23 0.00 0.00 176.35 176.33 1wfo s LYS 93 N -3.60 4.28 0.74 1.70 2.20 -1.26 -3.97 119.74 119.83 1wfo s LYS 93 Ca 0.32 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 56.21 1wfo s LYS 93 Cb 0.01 -3.48 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1wfo s LYS 93 CO 0.16 0.07 1.08 -1.25 -0.36 0.00 0.00 175.35 175.04 1wfo s PRO 94 N 0.94 2.58 -1.34 4.03 0.04 -1.26 -3.93 135.00 136.06 1wfo s PRO 94 Ca 0.24 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 1wfo s PRO 94 Cb -0.15 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1wfo s PRO 94 CO 0.09 -1.32 1.05 0.39 0.04 0.00 0.00 177.00 177.26 1wfo n GLU 95 N -3.26 -6.89 -3.96 4.56 1.02 0.17 -4.94 120.64 107.34 1wfo n GLU 95 Ca 0.07 0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 57.89 1wfo n GLU 95 Cb 0.55 -5.74 -0.06 0.00 -0.02 0.00 0.00 31.44 26.17 1wfo n GLU 95 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wfo s SER 96 N -3.70 -0.07 -0.16 1.62 1.04 -1.25 -4.95 113.70 106.22 1wfo s SER 96 Ca 0.38 -0.88 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1wfo s SER 96 Cb -0.18 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1wfo s SER 96 CO 0.76 -1.04 -0.04 -0.69 0.98 0.00 0.00 173.24 173.20 1wfo s VAL 97 N -3.99 3.80 -0.18 5.02 1.01 -1.26 0.30 120.40 125.10 1wfo s VAL 97 Ca 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1wfo s VAL 97 Cb 0.01 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1wfo s VAL 97 CO 0.05 0.49 -0.11 -0.31 0.00 0.00 0.00 175.10 175.21 1wfo s TYR 98 N 0.47 2.85 -0.47 5.22 1.51 0.19 -0.00 117.35 127.12 1wfo s TYR 98 Ca -0.04 -0.99 -0.25 0.00 -1.01 0.00 0.00 57.07 54.78 1wfo s TYR 98 Cb -0.14 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1wfo s TYR 98 CO 0.03 -0.48 0.89 -1.17 -1.11 0.00 0.00 175.55 173.71 1wfo s LEU 99 N 1.00 4.07 -0.36 -1.29 1.98 -1.08 -0.82 118.68 122.18 1wfo s LEU 99 Ca -0.01 0.02 -0.18 0.00 -2.89 0.00 0.00 54.13 51.07 1wfo s LEU 99 Cb -0.15 -3.11 -0.00 0.00 0.66 0.00 0.00 46.19 43.59 1wfo s LEU 99 CO -0.02 -1.04 0.52 -0.36 -1.89 0.00 0.00 176.35 173.57 1wfo s PHE 100 N 3.66 3.17 -0.33 5.38 0.40 0.51 -3.29 117.98 127.49 1wfo s PHE 100 Ca 0.35 0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.74 1wfo s PHE 100 Cb -0.11 -2.95 0.01 0.00 0.51 0.00 0.00 43.02 40.48 1wfo s PHE 100 CO 0.25 -0.56 0.14 0.50 0.70 0.00 0.00 175.22 176.25 1wfo s ARG 101 N 2.41 3.07 -0.11 0.44 3.52 -0.59 0.45 118.95 128.14 1wfo s ARG 101 Ca 0.19 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1wfo s ARG 101 Cb -0.15 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1wfo s ARG 101 CO 0.14 -0.52 0.19 0.42 -0.81 0.00 0.00 175.30 174.71 1wfo s ILE 102 N 1.55 5.42 0.10 4.11 1.01 0.37 -0.89 121.20 132.86 1wfo s ILE 102 Ca 0.03 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 1wfo s ILE 102 Cb -0.18 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1wfo s ILE 102 CO 0.05 0.59 0.25 -0.89 0.00 0.00 0.00 174.94 174.94 1wfo s THR 103 N -0.84 0.12 0.26 2.92 2.01 0.53 -0.44 115.64 120.20 1wfo s THR 103 Ca 0.16 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.27 1wfo s THR 103 Cb -0.13 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1wfo s THR 103 CO 0.05 -0.55 -0.07 0.00 -0.69 0.00 0.00 174.62 173.36 1wfo s ALA 104 N -3.78 3.02 -0.13 7.40 0.00 -1.26 0.49 121.76 127.50 1wfo s ALA 104 Ca 0.04 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.34 1wfo s ALA 104 Cb 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1wfo s ALA 104 CO -0.11 0.30 -0.22 -1.14 0.00 0.00 0.00 175.76 174.59 1wfo s GLN 105 N -3.51 2.97 0.04 0.00 0.74 0.63 -3.48 119.66 117.05 1wfo s GLN 105 Ca 0.30 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1wfo s GLN 105 Cb -0.06 -2.39 -0.00 0.00 1.10 0.00 0.00 33.01 31.66 1wfo s GLN 105 CO 0.18 0.00 0.00 0.25 -0.55 0.00 0.00 175.29 175.18 1wfo n THR 106 N 4.02 0.00 1.96 -0.34 -2.24 0.40 0.20 114.28 118.28 1wfo n THR 106 Ca -0.20 -0.21 0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1wfo n THR 106 Cb 0.52 0.05 0.67 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.10 1.04 -0.04 -0.78 1.85 -1.26 -2.97 116.66 114.40 1wfo n ARG 107 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 57.85 56.75 1wfo n ARG 107 Cb 0.06 -1.36 -0.07 0.00 -1.05 0.00 0.00 32.46 30.03 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 -0.79 2.30 0.00 2.89 4.76 -1.26 -5.06 118.16 120.99 1wfo n LYS 108 Ca 0.17 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1wfo n LYS 108 Cb 0.09 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfo n GLY 109 N 2.41 0.39 3.37 0.72 0.00 -1.16 -4.96 105.19 105.96 1wfo n GLY 109 Ca -0.12 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 3.06 0.00 1.61 0.52 -1.26 -0.46 118.94 118.42 1wfo s TRP 110 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.37 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 -0.48 0.00 0.41 0.02 0.00 0.00 176.95 176.90 1wfo n GLY 111 N 4.87 0.10 3.21 0.98 0.00 -1.23 -4.98 105.19 108.14 1wfo n GLY 111 Ca -0.16 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.96 -3.75 1.61 1.02 -1.12 -4.79 120.64 111.65 1wfo n GLU 112 Ca 0.00 -0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 56.44 1wfo n GLU 112 Cb 0.00 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 29.63 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfo s ALA 113 N -2.19 -0.33 -0.28 0.62 0.00 -1.26 -4.36 121.76 113.95 1wfo s ALA 113 Ca 0.52 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 1wfo s ALA 113 Cb -0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1wfo s ALA 113 CO 0.58 -0.16 0.54 0.00 0.00 0.00 0.00 175.76 176.72 1wfo s ALA 114 N 1.11 3.56 -0.19 0.00 0.00 0.42 -4.85 121.76 121.82 1wfo s ALA 114 Ca -0.09 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 1wfo s ALA 114 Cb -0.11 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1wfo s ALA 114 CO -0.06 -0.88 0.32 -1.21 0.00 0.00 0.00 175.76 173.93 1wfo s GLU 115 N 2.38 4.19 -0.05 0.00 2.02 -1.26 -0.47 118.70 125.52 1wfo s GLU 115 Ca 0.21 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1wfo s GLU 115 Cb -0.15 -3.49 0.02 0.00 0.10 0.00 0.00 34.13 30.61 1wfo s GLU 115 CO 0.10 0.09 -0.02 0.00 0.02 0.00 0.00 175.26 175.45 1wfo s ALA 116 N 0.93 0.58 -0.07 5.21 0.00 0.17 -4.95 121.76 123.63 1wfo s ALA 116 Ca 0.16 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 1wfo s ALA 116 Cb -0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1wfo s ALA 116 CO 0.06 -0.12 0.35 -0.51 0.00 0.00 0.00 175.76 175.53 1wfo s LEU 117 N 1.16 4.39 -0.07 0.00 1.43 -1.26 0.19 118.68 124.52 1wfo s LEU 117 Ca -0.07 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1wfo s LEU 117 Cb -0.14 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.66 1wfo s LEU 117 CO -0.01 0.26 0.13 0.54 0.23 0.00 0.00 176.35 177.49 1wfo s VAL 118 N -0.56 -0.16 0.40 -1.59 0.11 -0.00 -4.95 120.40 113.65 1wfo s VAL 118 Ca 0.21 0.30 -0.21 0.00 -2.93 0.00 0.00 61.98 59.35 1wfo s VAL 118 Cb -0.15 -0.24 -0.11 0.00 -1.53 0.00 0.00 36.38 34.36 1wfo s VAL 118 CO 0.09 0.13 0.93 -0.69 -3.33 0.00 0.00 175.10 172.23 1wfo s VAL 119 N 1.84 4.38 -0.48 2.04 1.01 -1.26 -0.64 120.40 127.29 1wfo s VAL 119 Ca -0.01 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.29 1wfo s VAL 119 Cb -0.12 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1wfo s VAL 119 CO -0.05 -0.21 0.57 0.42 0.00 0.00 0.00 175.10 175.83 1wfo s THR 120 N -2.04 4.95 0.04 3.92 -4.23 0.15 -4.85 115.64 113.56 1wfo s THR 120 Ca 0.59 -0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 60.37 1wfo s THR 120 Cb -0.11 -4.22 0.09 0.00 1.34 0.00 0.00 72.50 69.60 1wfo s THR 120 CO 0.16 -0.69 1.22 0.28 -0.54 0.00 0.00 174.62 175.05 1wfo s THR 121 N 2.45 0.00 -0.08 3.99 -1.32 -1.03 0.42 115.64 120.08 1wfo s THR 121 Ca 0.14 -0.29 -0.02 0.00 -1.21 0.00 0.00 61.69 60.32 1wfo s THR 121 Cb -0.19 -2.76 -0.26 0.00 -1.51 0.00 0.00 72.50 67.78 1wfo s THR 121 CO 0.12 0.00 0.53 -0.33 -2.21 0.00 0.00 174.62 172.74 1wfo h GLU 122 N 2.00 0.21 -7.34 7.08 5.08 -1.86 -3.35 114.58 116.39 1wfo h GLU 122 Ca -0.25 -0.36 -0.41 0.00 -1.00 0.00 0.00 59.36 57.34 1wfo h GLU 122 Cb 1.20 0.13 0.20 0.00 0.50 0.00 0.00 28.75 30.78 1wfo h GLU 122 CO 0.32 1.04 0.10 0.21 -1.00 0.00 0.00 179.01 179.67 1wfo s LYS 123 N -2.58 -1.47 0.50 2.33 2.20 -1.26 -4.87 119.74 114.59 1wfo s LYS 123 Ca -0.16 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1wfo s LYS 123 Cb 0.07 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 1wfo s LYS 123 CO 0.80 -3.88 0.00 0.54 -0.36 0.00 0.00 175.35 172.45 1wfo n ARG 124 N -4.89 -3.73 -3.04 4.03 5.12 -1.26 -5.03 116.66 107.86 1wfo n ARG 124 Ca 0.13 2.86 0.02 0.00 -1.93 0.00 0.00 57.85 58.93 1wfo n ARG 124 Cb 0.59 -3.47 -0.00 0.00 -1.16 0.00 0.00 32.46 28.42 1wfo n ARG 124 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wfo s SER 125 N -4.57 -1.03 -0.94 0.55 0.01 -1.26 -4.94 113.70 101.52 1wfo s SER 125 Ca 0.00 -0.42 -0.32 0.00 1.31 0.00 0.00 55.95 56.52 1wfo s SER 125 Cb 0.00 1.36 -0.21 0.00 0.21 0.00 0.00 66.02 67.38 1wfo s SER 125 CO 0.00 -0.13 2.64 0.61 0.41 0.00 0.00 173.24 176.78 1wfo n GLY 126 N 4.29 -0.43 3.76 3.44 0.00 -1.15 -4.87 105.19 110.24 1wfo n GLY 126 Ca 0.08 1.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.94 1wfo n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 127 N 8.72 -0.33 0.09 1.61 0.04 -1.26 -4.49 135.00 139.38 1wfo s PRO 127 Ca 1.33 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1wfo s PRO 127 Cb -1.23 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1wfo s PRO 127 CO 0.49 -3.08 -0.03 -1.54 0.04 0.00 0.00 177.00 172.88 1wfo s SER 128 N -4.41 0.78 -0.27 6.66 1.04 -1.26 -5.01 113.70 111.22 1wfo s SER 128 Ca 0.73 -1.04 -0.38 0.00 0.48 0.00 0.00 55.95 55.74 1wfo s SER 128 Cb -0.06 0.16 0.15 0.00 0.10 0.00 0.00 66.02 66.37 1wfo s SER 128 CO 0.54 -0.56 1.35 -0.55 0.98 0.00 0.00 173.24 175.01 1wfo s SER 129 N -3.00 -0.04 0.00 7.02 0.15 -1.26 -5.31 113.70 111.26 1wfo s SER 129 Ca 0.12 0.00 0.20 0.00 0.70 0.00 0.00 55.95 56.97 1wfo s SER 129 Cb 0.07 0.04 0.16 0.00 -1.71 0.00 0.00 66.02 64.57 1wfo s SER 129 CO -0.06 -0.06 1.14 0.61 1.20 0.00 0.00 173.24 176.07