#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 -0.10 0.00 1.61 1.04 -1.26 -5.19 113.70 109.81 1wfo s SER 2 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wfo s SER 2 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1wfo s SER 2 CO 0.00 -0.48 0.00 -0.24 0.98 0.00 0.00 173.24 173.50 1wfo n SER 3 N -0.48 0.00 0.00 7.02 2.88 -1.26 -5.17 113.62 116.61 1wfo n SER 3 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wfo n SER 3 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1wfo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfo n GLY 4 N -0.00 2.53 0.93 0.46 0.00 -1.26 -5.07 105.19 102.78 1wfo n GLY 4 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 1.14 0.00 1.61 7.64 -1.26 -5.09 113.62 117.66 1wfo n SER 5 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1wfo n SER 5 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1wfo n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfo n SER 6 N -3.58 0.00 0.00 6.43 7.64 -1.26 -5.15 113.62 117.70 1wfo n SER 6 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wfo n SER 6 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.00 0.27 3.59 0.23 0.00 -1.26 -5.05 105.19 102.97 1wfo n GLY 7 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1wfo n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfo s ARG 8 N 0.00 0.20 0.00 1.61 0.52 -1.26 -5.11 118.95 114.91 1wfo s ARG 8 Ca 0.00 0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 1wfo s ARG 8 Cb 0.00 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1wfo s ARG 8 CO 0.00 -0.05 0.00 -0.89 0.02 0.00 0.00 175.30 174.38 1wfo n ILE 9 N 3.60 0.00 -0.50 1.52 5.41 -1.26 -5.14 119.36 123.00 1wfo n ILE 9 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1wfo n ILE 9 Cb 0.56 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 1wfo n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wfo n GLY 10 N 3.08 -3.78 3.65 7.39 0.00 -1.26 -5.11 105.19 109.16 1wfo n GLY 10 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.07 -0.23 -0.17 1.61 2.15 -1.26 -5.16 116.67 112.54 1wfo s ASP 11 Ca 0.00 0.40 -0.05 0.00 0.43 0.00 0.00 52.55 53.33 1wfo s ASP 11 Cb 0.00 0.75 0.08 0.00 -0.30 0.00 0.00 42.92 43.45 1wfo s ASP 11 CO 0.00 -0.07 0.33 -0.83 -0.17 0.00 0.00 175.17 174.43 1wfo s GLY 12 N 0.64 -0.22 -0.30 2.66 0.00 -1.26 -5.11 107.32 103.73 1wfo s GLY 12 Ca -0.01 1.12 -0.10 0.00 0.00 0.00 0.00 44.72 45.73 1wfo s GLY 12 CO -0.12 2.19 1.01 -1.35 0.00 0.00 0.00 173.10 174.82 1wfo s SER 13 N 2.50 -0.53 -0.06 1.64 1.04 -1.26 -5.05 113.70 111.97 1wfo s SER 13 Ca 0.01 0.12 -0.26 0.00 0.48 0.00 0.00 55.95 56.31 1wfo s SER 13 Cb -0.12 1.36 -0.23 0.00 0.10 0.00 0.00 66.02 67.13 1wfo s SER 13 CO -0.11 -0.10 1.04 1.55 0.98 0.00 0.00 173.24 176.61 1wfo h PRO 14 N 7.51 0.09 0.00 4.02 0.13 -2.07 -3.49 132.00 138.19 1wfo h PRO 14 Ca -0.10 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1wfo h PRO 14 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wfo h PRO 14 CO -0.07 0.82 0.00 0.43 -0.23 0.00 0.00 178.00 178.94 1wfo n SER 15 N -4.63 0.00 -3.56 1.44 7.64 -1.26 -5.15 113.62 108.11 1wfo n SER 15 Ca -0.09 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.71 1wfo n SER 15 Cb 0.42 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.00 -0.30 0.58 1.43 -3.43 -1.26 -5.17 115.29 107.15 1wfo s HIS 16 Ca 0.00 0.34 -0.16 0.00 -0.80 0.00 0.00 55.06 54.44 1wfo s HIS 16 Cb 0.00 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 1wfo s HIS 16 CO 0.00 -0.38 1.05 -1.25 -2.00 0.00 0.00 174.74 172.16 1wfo s PRO 17 N -2.11 3.40 0.67 -0.38 0.04 -1.26 -5.04 135.00 130.32 1wfo s PRO 17 Ca 0.03 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1wfo s PRO 17 Cb -0.01 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wfo s PRO 17 CO -0.04 -0.74 1.06 -1.25 0.04 0.00 0.00 177.00 176.07 1wfo s PRO 18 N -4.08 3.05 0.83 0.56 0.04 -1.26 -5.04 135.00 129.11 1wfo s PRO 18 Ca 0.63 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1wfo s PRO 18 Cb -0.15 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1wfo s PRO 18 CO 0.36 -1.01 1.09 0.42 0.04 0.00 0.00 177.00 177.90 1wfo s ILE 19 N -2.92 2.99 0.00 0.56 1.01 -1.26 -5.06 121.20 116.53 1wfo s ILE 19 Ca 0.59 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1wfo s ILE 19 Cb -0.14 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1wfo s ILE 19 CO 0.51 -0.42 0.00 0.18 0.00 0.00 0.00 174.94 175.20 1wfo n LEU 20 N -3.59 0.00 -4.24 2.97 4.32 -1.26 -5.08 117.00 110.12 1wfo n LEU 20 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.92 1wfo n LEU 20 Cb 0.55 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.26 1wfo n LEU 20 CO 0.56 0.00 -0.23 -1.83 -1.22 0.00 0.00 177.39 174.67 1wfo s GLU 21 N 0.00 1.31 -0.22 3.23 -1.05 -1.26 -5.00 118.70 115.71 1wfo s GLU 21 Ca 0.00 -1.71 -0.09 0.00 -0.15 0.00 0.00 54.97 53.02 1wfo s GLU 21 Cb 0.00 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 1wfo s GLU 21 CO 0.00 -0.40 0.20 -2.13 0.95 0.00 0.00 175.26 173.88 1wfo n ARG 22 N -0.36 -1.77 -0.02 -4.83 0.63 -1.26 -4.98 116.66 104.08 1wfo n ARG 22 Ca 0.02 1.64 -0.01 0.00 -0.92 0.00 0.00 57.85 58.59 1wfo n ARG 22 Cb 0.66 -3.03 -0.00 0.00 0.45 0.00 0.00 32.46 30.53 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 2.97 0.00 -3.28 5.15 2.02 -1.95 -3.47 112.91 114.36 1wfo h THR 23 Ca -0.10 -0.31 -0.51 0.00 0.77 0.00 0.00 66.41 66.26 1wfo h THR 23 Cb 0.79 0.00 -0.38 0.00 -1.74 0.00 0.00 68.15 66.81 1wfo h THR 23 CO 0.10 0.00 -0.78 -0.22 0.37 0.00 0.00 175.52 174.99 1wfo s LEU 24 N -5.58 1.16 -0.04 2.58 1.98 -1.26 -5.10 118.68 112.42 1wfo s LEU 24 Ca -0.03 -0.51 -0.32 0.00 -2.89 0.00 0.00 54.13 50.38 1wfo s LEU 24 Cb 0.00 -0.68 -0.10 0.00 0.66 0.00 0.00 46.19 46.08 1wfo s LEU 24 CO 0.04 -0.22 1.96 -0.90 -1.89 0.00 0.00 176.35 175.35 1wfo n ASP 25 N 5.01 3.78 0.00 3.68 5.68 -1.26 -4.79 116.55 128.66 1wfo n ASP 25 Ca -0.10 0.87 0.00 0.00 -0.50 0.00 0.00 54.79 55.07 1wfo n ASP 25 Cb 0.48 -1.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1wfo n ASP 25 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1wfo n ASP 26 N 7.51 0.00 -4.06 -1.12 5.68 -1.20 -5.12 116.55 118.24 1wfo n ASP 26 Ca 0.22 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.16 1wfo n ASP 26 Cb 0.36 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.67 0.00 -1.54 2.12 0.24 -1.26 -4.34 118.33 112.89 1wfo n VAL 27 Ca 0.00 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.34 61.55 1wfo n VAL 27 Cb 0.00 -0.09 0.15 0.00 -1.47 0.00 0.00 33.84 32.43 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 -2.23 0.92 0.02 7.34 0.04 -1.18 -4.79 135.00 135.12 1wfo s PRO 28 Ca 0.43 0.20 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 1wfo s PRO 28 Cb -0.19 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wfo s PRO 28 CO 0.81 -2.33 0.02 0.41 0.04 0.00 0.00 177.00 175.95 1wfo n GLY 29 N -2.25 -0.08 3.74 0.56 0.00 -1.18 -2.36 105.19 103.62 1wfo n GLY 29 Ca 0.08 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.71 4.57 -0.35 1.61 0.04 -1.26 -4.13 135.00 132.77 1wfo s PRO 30 Ca 0.01 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 1wfo s PRO 30 Cb -0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1wfo s PRO 30 CO 0.01 0.04 1.38 -1.25 0.04 0.00 0.00 177.00 177.21 1wfo s PRO 31 N -0.32 3.74 0.44 0.56 0.04 -1.26 -4.67 135.00 133.52 1wfo s PRO 31 Ca 0.50 1.12 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 1wfo s PRO 31 Cb -0.30 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.27 1wfo s PRO 31 CO 0.35 -1.35 0.67 0.00 0.04 0.00 0.00 177.00 176.71 1wfo s MET 32 N 4.58 3.16 0.00 4.56 0.23 -1.25 -4.52 119.30 126.06 1wfo s MET 32 Ca 0.60 -0.39 0.00 0.00 -1.03 0.00 0.00 55.69 54.87 1wfo s MET 32 Cb -0.16 -2.55 0.00 0.00 -1.53 0.00 0.00 34.83 30.59 1wfo s MET 32 CO 0.28 -0.21 0.00 0.41 -2.03 0.00 0.00 175.02 173.47 1wfo n GLY 33 N -2.06 0.85 3.43 3.16 0.00 -1.26 -2.40 105.19 106.90 1wfo n GLY 33 Ca 0.00 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.52 4.48 0.11 -0.61 -1.09 -1.26 -3.76 121.20 116.56 1wfo s ILE 34 Ca 0.00 -0.58 0.08 0.00 -2.23 0.00 0.00 60.65 57.93 1wfo s ILE 34 Cb 0.00 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 1wfo s ILE 34 CO 0.00 -1.36 -0.21 -0.76 -1.23 0.00 0.00 174.94 171.38 1wfo s LEU 35 N 3.62 2.31 -0.59 2.97 2.01 -0.83 -4.99 118.68 123.18 1wfo s LEU 35 Ca 0.19 -0.70 -0.01 0.00 0.01 0.00 0.00 54.13 53.62 1wfo s LEU 35 Cb -0.19 -0.91 0.15 0.00 0.01 0.00 0.00 46.19 45.25 1wfo s LEU 35 CO 0.09 0.06 0.38 -0.36 1.01 0.00 0.00 176.35 177.53 1wfo s PHE 36 N -1.19 3.37 -0.06 0.29 0.08 -1.26 -1.03 117.98 118.18 1wfo s PHE 36 Ca 0.07 -2.82 -0.25 0.00 0.12 0.00 0.00 56.93 54.04 1wfo s PHE 36 Cb -0.10 -3.10 -0.23 0.00 -0.57 0.00 0.00 43.02 39.02 1wfo s PHE 36 CO 0.04 -0.82 1.05 -1.00 -0.10 0.00 0.00 175.22 174.39 1wfo h PRO 37 N 6.95 0.11 -4.91 0.24 0.13 -1.94 -3.43 132.00 129.14 1wfo h PRO 37 Ca -0.04 -0.11 -0.67 0.00 -0.87 0.00 0.00 66.00 64.32 1wfo h PRO 37 Cb 0.94 0.03 -0.29 0.00 0.13 0.00 0.00 31.00 31.81 1wfo h PRO 37 CO 0.70 0.83 -0.71 -2.00 -0.23 0.00 0.00 178.00 176.60 1wfo s GLU 38 N -3.25 3.10 -0.06 0.86 2.12 -1.11 -4.01 118.70 116.34 1wfo s GLU 38 Ca -0.16 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.32 1wfo s GLU 38 Cb 0.00 -3.09 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1wfo s GLU 38 CO 0.72 -0.34 0.13 0.08 -0.54 0.00 0.00 175.26 175.31 1wfo s VAL 39 N 1.42 -0.07 0.00 3.70 1.01 -1.26 0.18 120.40 125.39 1wfo s VAL 39 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1wfo s VAL 39 Cb -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1wfo s VAL 39 CO -0.02 0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.70 1wfo n ARG 40 N 4.30 1.21 0.34 2.72 5.12 -0.14 -4.69 116.66 125.52 1wfo n ARG 40 Ca -0.25 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.53 1wfo n ARG 40 Cb 0.51 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.75 1wfo n ARG 40 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1wfo h THR 41 N 0.98 0.00 -0.70 0.55 1.35 -1.85 -3.16 112.91 110.07 1wfo h THR 41 Ca 0.00 -0.30 -0.50 0.00 -0.55 0.00 0.00 66.41 65.07 1wfo h THR 41 Cb 0.00 0.00 -0.42 0.00 -1.73 0.00 0.00 68.15 66.00 1wfo h THR 41 CO 0.00 0.00 -0.87 0.35 -0.25 0.00 0.00 175.52 174.75 1wfo n THR 42 N -5.22 2.31 -3.08 6.82 -2.24 -1.24 -3.56 114.28 108.06 1wfo n THR 42 Ca -0.11 -4.00 0.04 0.00 -2.27 0.00 0.00 64.05 57.71 1wfo n THR 42 Cb 0.35 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.64 -0.66 0.48 3.42 1.04 -1.25 -1.64 113.70 111.45 1wfo s SER 43 Ca 0.47 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.93 1wfo s SER 43 Cb 0.39 1.27 -0.02 0.00 0.10 0.00 0.00 66.02 67.77 1wfo s SER 43 CO 0.02 -0.11 0.17 0.68 0.98 0.00 0.00 173.24 174.99 1wfo s VAL 44 N 2.69 1.77 -0.30 5.02 -7.23 0.64 -0.97 120.40 122.03 1wfo s VAL 44 Ca 0.22 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1wfo s VAL 44 Cb -0.02 -2.53 0.19 0.00 0.56 0.00 0.00 36.38 34.58 1wfo s VAL 44 CO -0.21 0.00 0.73 -0.60 -0.31 0.00 0.00 175.10 174.72 1wfo s ARG 45 N -3.98 0.44 0.41 4.82 3.52 0.49 -0.80 118.95 123.85 1wfo s ARG 45 Ca 0.28 0.57 0.08 0.00 -0.13 0.00 0.00 55.73 56.54 1wfo s ARG 45 Cb 0.02 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1wfo s ARG 45 CO 0.16 -0.68 0.52 -0.48 -0.81 0.00 0.00 175.30 174.01 1wfo s LEU 46 N 2.88 3.64 -0.02 -0.88 2.34 -0.91 -2.76 118.68 122.96 1wfo s LEU 46 Ca 0.15 -0.45 0.01 0.00 0.06 0.00 0.00 54.13 53.89 1wfo s LEU 46 Cb -0.10 -2.55 0.02 0.00 -0.56 0.00 0.00 46.19 43.00 1wfo s LEU 46 CO -0.22 -0.70 -0.01 0.27 -1.06 0.00 0.00 176.35 174.63 1wfo s ILE 47 N -2.35 0.21 0.33 1.48 -0.00 -0.20 -1.85 121.20 118.83 1wfo s ILE 47 Ca 0.52 0.02 0.01 0.00 -0.00 0.00 0.00 60.65 61.21 1wfo s ILE 47 Cb -0.09 -0.28 -0.00 0.00 -0.00 0.00 0.00 42.46 42.09 1wfo s ILE 47 CO 0.32 0.13 0.04 -2.67 -0.00 0.00 0.00 174.94 172.76 1wfo n TRP 48 N 3.86 0.55 -4.09 1.37 2.14 0.40 -1.96 117.44 119.71 1wfo n TRP 48 Ca -0.24 -1.82 -0.09 0.00 2.07 0.00 0.00 57.50 57.43 1wfo n TRP 48 Cb 0.52 -0.15 -0.10 0.00 -0.81 0.00 0.00 31.31 30.78 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 -3.23 0.82 0.48 -2.67 -0.21 -1.01 -4.56 119.66 109.28 1wfo s GLN 49 Ca 0.06 -1.31 -0.20 0.00 0.02 0.00 0.00 55.36 53.93 1wfo s GLN 49 Cb 0.00 0.25 -0.08 0.00 1.00 0.00 0.00 33.01 34.17 1wfo s GLN 49 CO 0.04 -0.21 1.04 -1.25 -2.12 0.00 0.00 175.29 172.79 1wfo s PRO 50 N -3.98 3.81 -0.16 2.91 0.04 -1.26 -3.90 135.00 132.45 1wfo s PRO 50 Ca 0.16 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1wfo s PRO 50 Cb 0.07 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1wfo s PRO 50 CO -0.04 -0.42 1.27 -1.25 0.04 0.00 0.00 177.00 176.60 1wfo s PRO 51 N -3.22 4.23 0.56 0.56 0.04 -1.26 -4.74 135.00 131.18 1wfo s PRO 51 Ca 0.67 1.67 0.47 0.00 0.04 0.00 0.00 61.00 63.85 1wfo s PRO 51 Cb -0.16 -3.77 1.63 0.00 0.04 0.00 0.00 34.50 32.23 1wfo s PRO 51 CO 0.20 -0.71 1.56 0.00 0.04 0.00 0.00 177.00 178.09 1wfo h ALA 52 N 8.23 3.71 -3.16 8.56 0.00 -1.94 -2.04 119.26 132.63 1wfo h ALA 52 Ca -0.27 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 1wfo h ALA 52 Cb 1.10 0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.64 1wfo h ALA 52 CO 0.97 -2.29 -0.46 0.00 0.00 0.00 0.00 179.25 177.47 1wfo s ALA 53 N -4.81 3.68 0.16 0.00 0.00 -1.26 -4.89 121.76 114.63 1wfo s ALA 53 Ca -0.05 -3.54 -0.01 0.00 0.00 0.00 0.00 51.96 48.36 1wfo s ALA 53 Cb 0.25 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1wfo s ALA 53 CO 0.84 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.88 1wfo h PRO 54 N 6.22 0.34 -7.02 0.00 0.13 -1.76 -3.11 132.00 126.80 1wfo h PRO 54 Ca 0.04 -0.33 -0.60 0.00 -0.87 0.00 0.00 66.00 64.24 1wfo h PRO 54 Cb 0.85 0.09 -0.33 0.00 0.13 0.00 0.00 31.00 31.74 1wfo h PRO 54 CO 0.73 1.01 -0.89 0.09 -0.23 0.00 0.00 178.00 178.71 1wfo n ASN 55 N -3.76 -1.04 0.00 1.44 3.02 -1.26 -3.09 115.26 110.57 1wfo n ASN 55 Ca -0.05 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1wfo n ASN 55 Cb 0.78 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 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 -1.43 2.64 3.58 7.41 0.00 -1.26 -3.20 105.19 112.93 1wfo n GLY 56 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 3.96 -0.09 -0.61 -1.09 -1.26 -4.95 121.20 115.16 1wfo s ILE 57 Ca 0.00 0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 58.98 1wfo s ILE 57 Cb 0.00 -4.59 -0.09 0.00 -1.58 0.00 0.00 42.46 36.20 1wfo s ILE 57 CO 0.00 -1.21 2.03 -0.38 -1.23 0.00 0.00 174.94 174.15 1wfo n ILE 58 N 6.78 0.58 -0.02 2.92 2.08 -1.26 -4.21 119.36 126.23 1wfo n ILE 58 Ca 0.11 -0.22 -0.01 0.00 0.56 0.00 0.00 62.75 63.19 1wfo n ILE 58 Cb 0.49 -2.21 -0.13 0.00 -0.75 0.00 0.00 39.64 37.04 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 8.47 0.37 0.00 1.39 4.77 0.50 -4.64 117.00 127.85 1wfo n LEU 59 Ca 0.25 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1wfo n LEU 59 Cb 0.37 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1wfo n LEU 59 CO 0.70 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.99 1wfo n ALA 60 N -2.48 0.00 -2.37 -1.18 0.00 -1.09 -3.69 120.51 109.69 1wfo n ALA 60 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1wfo n ALA 60 Cb 0.89 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.48 1.67 -0.01 0.00 1.51 0.25 0.19 117.35 118.47 1wfo s TYR 61 Ca 0.00 -1.35 -0.00 0.00 -1.01 0.00 0.00 57.07 54.71 1wfo s TYR 61 Cb 0.00 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1wfo s TYR 61 CO 0.00 -0.47 0.03 -1.14 -1.11 0.00 0.00 175.55 172.86 1wfo s GLN 62 N -3.78 -0.02 -0.22 -0.62 0.74 0.12 0.19 119.66 116.08 1wfo s GLN 62 Ca 0.34 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.88 1wfo s GLN 62 Cb 0.05 -0.15 0.06 0.00 1.10 0.00 0.00 33.01 34.06 1wfo s GLN 62 CO 0.17 -0.10 -0.06 0.42 -0.55 0.00 0.00 175.29 175.18 1wfo s ILE 63 N 0.66 1.46 -0.19 -2.34 1.01 0.74 -0.86 121.20 121.68 1wfo s ILE 63 Ca -0.05 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 1wfo s ILE 63 Cb -0.08 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1wfo s ILE 63 CO -0.02 -0.05 0.06 0.42 0.00 0.00 0.00 174.94 175.35 1wfo s THR 64 N 1.44 4.77 -0.10 2.92 -4.23 -0.52 -1.03 115.64 118.88 1wfo s THR 64 Ca -0.04 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1wfo s THR 64 Cb -0.18 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.52 1wfo s THR 64 CO -0.07 0.45 -0.14 -1.38 -0.54 0.00 0.00 174.62 172.95 1wfo s HIS 65 N 0.45 1.81 -0.27 3.99 -3.43 -1.25 -1.08 115.29 115.51 1wfo s HIS 65 Ca 0.03 -0.83 -0.20 0.00 -0.80 0.00 0.00 55.06 53.26 1wfo s HIS 65 Cb -0.13 -1.33 0.07 0.00 -1.43 0.00 0.00 32.58 29.77 1wfo s HIS 65 CO 0.01 -0.45 0.69 -0.98 -2.00 0.00 0.00 174.74 172.01 1wfo s ARG 66 N 1.04 0.76 0.01 -0.38 1.70 -1.24 -3.79 118.95 117.05 1wfo s ARG 66 Ca -0.06 1.09 -0.39 0.00 -0.47 0.00 0.00 55.73 55.89 1wfo s ARG 66 Cb -0.15 0.27 -0.20 0.00 -0.57 0.00 0.00 34.95 34.31 1wfo s ARG 66 CO -0.02 -0.12 1.04 1.28 -1.08 0.00 0.00 175.30 176.40 1wfo n LEU 67 N 3.47 -0.07 0.00 -1.89 7.99 -1.26 -2.56 117.00 122.68 1wfo n LEU 67 Ca -0.17 1.16 0.06 0.00 -0.01 0.00 0.00 56.01 57.05 1wfo n LEU 67 Cb 0.57 -0.92 0.29 0.00 -0.11 0.00 0.00 43.42 43.24 1wfo n LEU 67 CO 0.01 -1.96 0.68 -3.20 -1.51 0.00 0.00 177.39 171.41 1wfo n ASN 68 N 1.52 0.00 -3.32 -1.43 5.15 0.45 -4.00 115.26 113.64 1wfo n ASN 68 Ca 0.20 0.36 -0.13 0.00 -0.60 0.00 0.00 54.58 54.41 1wfo n ASN 68 Cb 0.09 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 38.86 1wfo n ASN 68 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wfo s THR 69 N -2.85 -0.49 -0.07 -0.44 -4.23 -1.26 -5.06 115.64 101.25 1wfo s THR 69 Ca 0.08 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1wfo s THR 69 Cb 0.08 -0.50 0.10 0.00 1.34 0.00 0.00 72.50 73.53 1wfo s THR 69 CO 0.22 -0.45 1.35 0.28 -0.54 0.00 0.00 174.62 175.48 1wfo s THR 70 N 1.49 0.00 0.06 3.99 -1.32 -1.26 -5.03 115.64 113.58 1wfo s THR 70 Ca 0.17 -0.06 -0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1wfo s THR 70 Cb -0.12 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 67.95 1wfo s THR 70 CO -0.03 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.76 1wfo s THR 71 N -2.02 0.30 0.02 5.08 -4.23 -1.26 -5.00 115.64 108.53 1wfo s THR 71 Ca 0.30 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1wfo s THR 71 Cb 0.01 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1wfo s THR 71 CO -0.03 -0.94 0.00 0.00 -0.54 0.00 0.00 174.62 173.11 1wfo n ALA 72 N 0.18 0.00 0.00 3.99 0.00 -1.26 -5.04 120.51 118.38 1wfo n ALA 72 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1wfo n ALA 72 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.06 0.00 -0.71 0.00 5.15 -1.26 -5.15 115.26 111.23 1wfo n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1wfo n ASN 73 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1wfo n ASN 73 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wfo n THR 74 N 0.00 0.00 -4.63 -0.44 -2.24 -1.26 -5.16 114.28 100.55 1wfo n THR 74 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1wfo n THR 74 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.22 1.30 -0.97 6.98 0.00 -1.26 -5.03 121.76 121.56 1wfo s ALA 75 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 1wfo s ALA 75 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1wfo s ALA 75 CO 0.00 0.14 1.93 0.99 0.00 0.00 0.00 175.76 178.82 1wfo s THR 76 N 0.55 3.49 0.41 0.00 2.01 -1.25 -4.87 115.64 115.99 1wfo s THR 76 Ca -0.13 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1wfo s THR 76 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1wfo s THR 76 CO 0.04 -0.99 0.69 0.68 -0.69 0.00 0.00 174.62 174.34 1wfo s VAL 77 N 10.10 4.97 -0.01 3.82 -7.23 -1.26 -3.79 120.40 126.99 1wfo s VAL 77 Ca 0.69 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.91 1wfo s VAL 77 Cb -0.05 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 33.07 1wfo s VAL 77 CO 0.02 -0.66 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.44 1wfo s GLU 78 N -4.36 0.24 -0.01 4.82 2.12 -0.20 -4.97 118.70 116.34 1wfo s GLU 78 Ca 0.45 -0.02 -0.23 0.00 0.36 0.00 0.00 54.97 55.53 1wfo s GLU 78 Cb -0.10 -0.31 -0.05 0.00 0.26 0.00 0.00 34.13 33.93 1wfo s GLU 78 CO 0.39 -0.02 0.69 0.08 -0.54 0.00 0.00 175.26 175.86 1wfo s VAL 79 N 0.39 4.91 0.44 3.70 1.01 -1.26 -0.19 120.40 129.39 1wfo s VAL 79 Ca -0.04 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.46 1wfo s VAL 79 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1wfo s VAL 79 CO -0.01 0.34 0.21 -0.76 0.00 0.00 0.00 175.10 174.88 1wfo s LEU 80 N 0.24 3.02 0.77 3.92 1.43 0.51 -4.91 118.68 123.66 1wfo s LEU 80 Ca 0.36 -1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1wfo s LEU 80 Cb -0.19 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.69 1wfo s LEU 80 CO 0.19 -0.65 1.12 0.00 0.23 0.00 0.00 176.35 177.25 1wfo s ALA 81 N -2.64 2.63 -1.83 4.21 0.00 -1.26 0.84 121.76 123.72 1wfo s ALA 81 Ca 0.38 -0.42 0.24 0.00 0.00 0.00 0.00 51.96 52.15 1wfo s ALA 81 Cb 0.02 -3.02 1.34 0.00 0.00 0.00 0.00 23.12 21.47 1wfo s ALA 81 CO 0.21 -1.48 1.78 -0.35 0.00 0.00 0.00 175.76 175.92 1wfo n PRO 82 N -3.23 0.62 -1.09 0.00 -0.04 -1.24 -2.58 135.00 127.45 1wfo n PRO 82 Ca 0.07 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1wfo n PRO 82 Cb 0.58 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.69 1wfo n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfo n SER 83 N -1.09 2.89 -4.51 3.54 3.41 -1.26 -4.88 113.62 111.72 1wfo n SER 83 Ca 0.16 -3.85 -0.38 0.00 -0.26 0.00 0.00 58.87 54.54 1wfo n SER 83 Cb 0.11 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.46 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfo s ALA 84 N -3.37 3.35 -0.35 7.33 0.00 -1.06 -4.92 121.76 122.74 1wfo s ALA 84 Ca 0.43 -1.16 0.16 0.00 0.00 0.00 0.00 51.96 51.39 1wfo s ALA 84 Cb 0.39 -2.31 -0.21 0.00 0.00 0.00 0.00 23.12 20.98 1wfo s ALA 84 CO -0.03 -0.59 0.49 0.54 0.00 0.00 0.00 175.76 176.17 1wfo n ARG 85 N 5.00 1.16 -3.73 0.00 1.74 -1.26 -4.90 116.66 114.67 1wfo n ARG 85 Ca -0.15 -0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 56.76 1wfo n ARG 85 Cb 0.51 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1wfo s GLN 86 N -2.79 0.95 -0.01 5.56 -2.07 -1.26 0.15 119.66 120.19 1wfo s GLN 86 Ca -0.00 -0.77 -0.08 0.00 -1.82 0.00 0.00 55.36 52.69 1wfo s GLN 86 Cb 0.11 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 1wfo s GLN 86 CO 0.64 -0.34 0.15 -0.47 -1.32 0.00 0.00 175.29 173.95 1wfo s TYR 87 N -3.66 -0.00 -0.20 9.60 5.04 -0.77 -4.99 117.35 122.37 1wfo s TYR 87 Ca 0.03 -0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 1wfo s TYR 87 Cb 0.03 -0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.30 1wfo s TYR 87 CO -0.11 -0.27 -0.04 0.99 -1.34 0.00 0.00 175.55 174.78 1wfo s THR 88 N -1.19 3.51 -0.18 4.34 2.01 -1.26 -2.14 115.64 120.73 1wfo s THR 88 Ca -0.13 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1wfo s THR 88 Cb -0.07 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1wfo s THR 88 CO 0.02 0.44 0.10 0.00 -0.69 0.00 0.00 174.62 174.49 1wfo s ALA 89 N 1.12 3.58 0.13 7.40 0.00 0.02 -4.96 121.76 129.05 1wfo s ALA 89 Ca 0.02 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.35 1wfo s ALA 89 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1wfo s ALA 89 CO -0.00 0.24 -0.21 0.95 0.00 0.00 0.00 175.76 176.73 1wfo s THR 90 N 0.16 1.86 -0.53 0.00 -4.23 -1.26 -0.26 115.64 111.39 1wfo s THR 90 Ca 0.07 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1wfo s THR 90 Cb -0.12 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1wfo s THR 90 CO -0.00 -0.12 0.45 0.61 -0.54 0.00 0.00 174.62 175.02 1wfo n GLY 91 N 0.77 -0.02 3.54 3.99 0.00 -0.65 -4.94 105.19 107.89 1wfo n GLY 91 Ca -0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.11 2.95 -0.00 0.99 1.43 -1.26 -5.03 118.68 113.66 1wfo s LEU 92 Ca 0.13 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1wfo s LEU 92 Cb -0.02 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1wfo s LEU 92 CO 0.35 0.25 1.51 -0.54 0.23 0.00 0.00 176.35 178.14 1wfo s LYS 93 N -1.60 4.24 0.78 1.70 1.02 -1.26 -3.71 119.74 120.91 1wfo s LYS 93 Ca 0.17 2.09 -0.11 0.00 0.02 0.00 0.00 55.97 58.13 1wfo s LYS 93 Cb -0.11 -3.66 0.06 0.00 -0.52 0.00 0.00 37.83 33.60 1wfo s LYS 93 CO 0.08 -0.67 1.09 -1.25 -0.92 0.00 0.00 175.35 173.68 1wfo s PRO 94 N 2.82 2.19 -1.34 -1.68 0.04 -1.23 -3.69 135.00 132.10 1wfo s PRO 94 Ca 0.68 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 1wfo s PRO 94 Cb -0.33 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1wfo s PRO 94 CO 0.28 -1.55 0.52 0.39 0.04 0.00 0.00 177.00 176.68 1wfo n GLU 95 N -3.39 -3.75 -2.59 4.56 4.71 0.25 -4.92 120.64 115.50 1wfo n GLU 95 Ca 0.07 0.57 -0.06 0.00 -0.01 0.00 0.00 57.16 57.73 1wfo n GLU 95 Cb 0.56 -5.31 -0.02 0.00 -1.01 0.00 0.00 31.44 25.66 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1wfo n SER 96 N -2.35 0.55 -4.05 1.62 7.64 -1.24 -4.96 113.62 110.83 1wfo n SER 96 Ca -0.04 -1.55 -0.28 0.00 1.01 0.00 0.00 58.87 58.02 1wfo n SER 96 Cb 0.56 0.32 -0.17 0.00 -1.01 0.00 0.00 64.21 63.91 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 -2.08 1.43 -0.14 0.44 1.01 -1.26 -2.10 120.40 117.69 1wfo s VAL 97 Ca 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1wfo s VAL 97 Cb 0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 1wfo s VAL 97 CO 0.05 0.43 -0.17 -0.31 0.00 0.00 0.00 175.10 175.10 1wfo s TYR 98 N 0.89 2.74 -0.40 5.22 1.51 0.16 0.17 117.35 127.63 1wfo s TYR 98 Ca -0.09 -1.00 -0.19 0.00 -1.01 0.00 0.00 57.07 54.79 1wfo s TYR 98 Cb -0.15 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1wfo s TYR 98 CO 0.00 -0.43 0.52 -1.17 -1.11 0.00 0.00 175.55 173.37 1wfo s LEU 99 N 0.65 4.59 -0.38 -1.29 1.98 -1.06 0.45 118.68 123.61 1wfo s LEU 99 Ca -0.09 -0.37 -0.19 0.00 -2.89 0.00 0.00 54.13 50.60 1wfo s LEU 99 Cb -0.16 -2.55 0.01 0.00 0.66 0.00 0.00 46.19 44.15 1wfo s LEU 99 CO 0.02 -0.61 0.53 -0.36 -1.89 0.00 0.00 176.35 174.04 1wfo s PHE 100 N 2.43 3.15 -0.37 5.38 0.40 0.46 -3.62 117.98 125.80 1wfo s PHE 100 Ca 0.17 0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.42 1wfo s PHE 100 Cb -0.16 -3.01 0.02 0.00 0.51 0.00 0.00 43.02 40.38 1wfo s PHE 100 CO 0.15 -0.64 0.23 0.50 0.70 0.00 0.00 175.22 176.16 1wfo s ARG 101 N 2.45 2.98 -0.12 0.44 3.52 -0.24 -0.21 118.95 127.77 1wfo s ARG 101 Ca 0.18 -0.98 -0.09 0.00 -0.13 0.00 0.00 55.73 54.71 1wfo s ARG 101 Cb -0.15 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1wfo s ARG 101 CO 0.15 -0.66 0.19 0.42 -0.81 0.00 0.00 175.30 174.58 1wfo s ILE 102 N 1.61 5.41 0.09 4.11 1.01 0.20 -1.44 121.20 132.20 1wfo s ILE 102 Ca 0.03 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 1wfo s ILE 102 Cb -0.19 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1wfo s ILE 102 CO 0.08 0.57 0.23 -0.89 0.00 0.00 0.00 174.94 174.92 1wfo s THR 103 N -0.69 0.13 -0.01 2.92 2.01 -0.04 -0.52 115.64 119.43 1wfo s THR 103 Ca 0.15 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 61.17 1wfo s THR 103 Cb -0.13 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1wfo s THR 103 CO 0.04 -0.58 -0.25 0.00 -0.69 0.00 0.00 174.62 173.14 1wfo s ALA 104 N -3.76 2.21 -0.21 7.40 0.00 -1.26 0.15 121.76 126.28 1wfo s ALA 104 Ca 0.04 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 1wfo s ALA 104 Cb 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1wfo s ALA 104 CO -0.11 0.53 0.08 -1.14 0.00 0.00 0.00 175.76 175.13 1wfo s GLN 105 N -0.72 3.89 0.00 0.00 0.74 0.50 -3.35 119.66 120.72 1wfo s GLN 105 Ca 0.10 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1wfo s GLN 105 Cb -0.10 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1wfo s GLN 105 CO -0.00 0.09 0.00 0.25 -0.55 0.00 0.00 175.29 175.07 1wfo n THR 106 N 4.12 0.00 0.70 -0.34 -2.24 0.49 0.19 114.28 117.20 1wfo n THR 106 Ca -0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1wfo n THR 106 Cb 0.52 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.03 -0.09 -0.78 1.85 -1.26 -2.69 116.66 113.72 1wfo n ARG 107 Ca 0.00 0.15 -0.16 0.00 -1.00 0.00 0.00 57.85 56.84 1wfo n ARG 107 Cb 0.00 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.78 1wfo n ARG 107 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wfo n LYS 108 N -1.48 0.68 0.00 2.89 4.76 -1.26 -5.10 118.16 118.65 1wfo n LYS 108 Ca 0.05 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1wfo n LYS 108 Cb 0.22 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 2.03 0.21 3.30 0.72 0.00 -1.10 -4.94 105.19 105.42 1wfo n GLY 109 Ca -0.38 -1.01 -0.37 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 -3.48 3.21 0.00 1.61 0.52 -1.26 -0.38 118.94 119.16 1wfo s TRP 110 Ca 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 56.10 54.85 1wfo s TRP 110 Cb 0.00 -2.26 0.00 0.00 -1.15 0.00 0.00 33.47 30.06 1wfo s TRP 110 CO 0.00 -0.68 0.00 0.41 0.02 0.00 0.00 176.95 176.70 1wfo n GLY 111 N 4.83 0.47 3.33 0.98 0.00 -1.21 -4.99 105.19 108.59 1wfo n GLY 111 Ca -0.13 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.15 -3.74 1.61 1.02 -0.99 -4.83 120.64 112.55 1wfo n GLU 112 Ca 0.00 -0.31 -0.16 0.00 -0.02 0.00 0.00 57.16 56.67 1wfo n GLU 112 Cb 0.00 -1.76 -0.16 0.00 -0.02 0.00 0.00 31.44 29.50 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 -2.29 0.05 -0.30 0.62 0.00 -1.26 -4.41 121.76 114.17 1wfo s ALA 113 Ca 0.56 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 1wfo s ALA 113 Cb -0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1wfo s ALA 113 CO 0.67 -0.22 0.74 0.00 0.00 0.00 0.00 175.76 176.95 1wfo s ALA 114 N 1.40 3.54 -0.23 0.00 0.00 0.32 -4.84 121.76 121.94 1wfo s ALA 114 Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 1wfo s ALA 114 Cb -0.13 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1wfo s ALA 114 CO -0.04 -1.15 0.25 -1.21 0.00 0.00 0.00 175.76 173.62 1wfo s GLU 115 N 2.85 4.09 -0.07 0.00 2.02 -1.26 -0.63 118.70 125.71 1wfo s GLU 115 Ca 0.30 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1wfo s GLU 115 Cb -0.14 -3.55 0.02 0.00 0.10 0.00 0.00 34.13 30.56 1wfo s GLU 115 CO 0.12 -0.01 -0.05 0.00 0.02 0.00 0.00 175.26 175.35 1wfo s ALA 116 N 1.25 0.89 -0.04 5.21 0.00 0.71 -4.94 121.76 124.84 1wfo s ALA 116 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 1wfo s ALA 116 Cb -0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1wfo s ALA 116 CO 0.06 -0.22 0.45 -0.51 0.00 0.00 0.00 175.76 175.55 1wfo s LEU 117 N 1.37 4.40 -0.04 0.00 1.43 -1.26 0.17 118.68 124.75 1wfo s LEU 117 Ca -0.03 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1wfo s LEU 117 Cb -0.13 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.46 1wfo s LEU 117 CO -0.03 0.19 0.02 0.54 0.23 0.00 0.00 176.35 177.30 1wfo s VAL 118 N -0.36 0.07 0.06 -1.59 0.11 0.17 -4.94 120.40 113.93 1wfo s VAL 118 Ca 0.25 0.21 -0.20 0.00 -2.93 0.00 0.00 61.98 59.32 1wfo s VAL 118 Cb -0.16 -0.23 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 1wfo s VAL 118 CO 0.12 0.16 0.58 -0.69 -3.33 0.00 0.00 175.10 171.94 1wfo s VAL 119 N 1.48 4.76 -0.22 2.04 1.01 -1.26 -0.67 120.40 127.53 1wfo s VAL 119 Ca -0.04 1.24 -0.18 0.00 0.00 0.00 0.00 61.98 63.01 1wfo s VAL 119 Cb -0.13 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1wfo s VAL 119 CO -0.03 0.53 0.49 0.42 0.00 0.00 0.00 175.10 176.51 1wfo s THR 120 N -0.95 5.12 -0.06 3.92 -4.23 -0.89 -4.83 115.64 113.71 1wfo s THR 120 Ca 0.30 0.86 -0.32 0.00 -1.18 0.00 0.00 61.69 61.35 1wfo s THR 120 Cb -0.19 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 69.97 1wfo s THR 120 CO 0.19 0.16 1.30 0.28 -0.54 0.00 0.00 174.62 176.01 1wfo s THR 121 N 1.82 0.00 -0.12 3.99 -1.32 -1.19 0.84 115.64 119.66 1wfo s THR 121 Ca 0.22 -0.15 -0.19 0.00 -1.21 0.00 0.00 61.69 60.35 1wfo s THR 121 Cb -0.15 -1.81 -0.26 0.00 -1.51 0.00 0.00 72.50 68.76 1wfo s THR 121 CO 0.09 0.00 0.58 -0.33 -2.21 0.00 0.00 174.62 172.75 1wfo h GLU 122 N 2.00 0.18 -6.79 7.08 5.08 -1.90 -3.38 114.58 116.85 1wfo h GLU 122 Ca -0.27 -0.31 -0.53 0.00 -1.00 0.00 0.00 59.36 57.25 1wfo h GLU 122 Cb 1.19 0.12 0.07 0.00 0.50 0.00 0.00 28.75 30.63 1wfo h GLU 122 CO 0.27 1.15 0.76 0.21 -1.00 0.00 0.00 179.01 180.40 1wfo s LYS 123 N -2.42 4.25 0.20 2.33 2.20 -1.26 -4.73 119.74 120.31 1wfo s LYS 123 Ca -0.20 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1wfo s LYS 123 Cb 0.03 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1wfo s LYS 123 CO 0.74 -0.42 0.00 0.54 -0.36 0.00 0.00 175.35 175.85 1wfo n ARG 124 N 1.88 -1.43 -2.63 4.03 1.74 -1.26 -5.01 116.66 113.98 1wfo n ARG 124 Ca 0.05 1.02 -0.07 0.00 -0.77 0.00 0.00 57.85 58.09 1wfo n ARG 124 Cb 0.40 -1.72 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 1wfo n ARG 124 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wfo n SER 125 N -3.05 -7.03 0.00 0.55 7.64 -1.26 -4.84 113.62 105.62 1wfo n SER 125 Ca -0.01 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1wfo n SER 125 Cb 0.31 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1wfo n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfo n GLY 126 N -0.30 -0.86 3.55 0.23 0.00 -1.26 -4.44 105.19 102.12 1wfo n GLY 126 Ca 0.10 0.35 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 1wfo n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 127 N 0.00 2.97 0.28 1.61 0.04 -1.26 -4.83 135.00 133.81 1wfo s PRO 127 Ca 0.00 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1wfo s PRO 127 Cb 0.00 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1wfo s PRO 127 CO 0.00 -2.54 0.00 0.45 0.04 0.00 0.00 177.00 174.95 1wfo n SER 128 N 11.14 -5.95 0.09 6.66 2.88 -1.26 -4.96 113.62 122.22 1wfo n SER 128 Ca 0.19 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1wfo n SER 128 Cb 0.50 -3.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.51 1wfo n SER 128 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfo n SER 129 N -4.30 0.27 0.00 -3.46 3.41 -1.26 -4.73 113.62 103.55 1wfo n SER 129 Ca -0.01 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1wfo n SER 129 Cb 0.62 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49