#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfu s SER 2 N 0.00 -0.63 0.36 1.61 0.15 -1.26 -5.18 113.70 108.75 1wfu s SER 2 Ca 0.00 1.17 0.06 0.00 0.70 0.00 0.00 55.95 57.88 1wfu s SER 2 Cb 0.00 1.15 -0.07 0.00 -1.71 0.00 0.00 66.02 65.40 1wfu s SER 2 CO 0.00 -0.20 -0.01 -0.44 1.20 0.00 0.00 173.24 173.79 1wfu s SER 3 N 0.56 3.27 0.32 5.45 0.01 -1.26 -5.16 113.70 116.89 1wfu s SER 3 Ca -0.02 -1.31 -0.19 0.00 1.31 0.00 0.00 55.95 55.74 1wfu s SER 3 Cb -0.05 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 65.96 1wfu s SER 3 CO -0.03 -0.43 0.79 -0.83 0.41 0.00 0.00 173.24 173.15 1wfu s GLY 4 N -3.59 0.13 0.49 3.44 0.00 -1.26 -5.18 107.32 101.35 1wfu s GLY 4 Ca 0.34 -0.49 0.06 0.00 0.00 0.00 0.00 44.72 44.64 1wfu s GLY 4 CO 0.16 -0.02 0.67 -0.45 0.00 0.00 0.00 173.10 173.46 1wfu s SER 5 N -3.02 5.42 0.16 1.64 0.15 -1.26 -5.14 113.70 111.66 1wfu s SER 5 Ca 0.14 -0.40 -0.06 0.00 0.70 0.00 0.00 55.95 56.33 1wfu s SER 5 Cb -0.05 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1wfu s SER 5 CO 0.09 -0.99 0.20 -0.55 1.20 0.00 0.00 173.24 173.19 1wfu s SER 6 N -4.44 0.14 0.00 5.45 0.15 -1.26 -5.16 113.70 108.58 1wfu s SER 6 Ca 0.57 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1wfu s SER 6 Cb -0.09 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1wfu s SER 6 CO 0.36 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wfu n GLY 7 N -0.19 3.49 0.47 9.45 0.00 -1.26 -5.05 105.19 112.10 1wfu n GLY 7 Ca -0.05 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 1wfu n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wfu n MET 8 N -1.46 0.20 -3.67 1.61 1.56 -1.26 -5.09 117.12 109.01 1wfu n MET 8 Ca 0.00 0.08 -0.14 0.00 -0.27 0.00 0.00 57.70 57.37 1wfu n MET 8 Cb 0.00 -0.78 -0.08 0.00 2.15 0.00 0.00 33.22 34.51 1wfu n MET 8 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1wfu s GLU 9 N -1.99 0.71 0.84 2.12 -1.05 -1.26 -5.17 118.70 112.90 1wfu s GLU 9 Ca -0.11 0.74 -0.11 0.00 -0.15 0.00 0.00 54.97 55.34 1wfu s GLU 9 Cb 0.02 0.34 0.09 0.00 -0.44 0.00 0.00 34.13 34.14 1wfu s GLU 9 CO 0.16 -0.10 1.09 -1.25 0.95 0.00 0.00 175.26 176.11 1wfu s PRO 10 N 0.15 1.73 1.37 -4.83 0.04 -1.26 -5.03 135.00 127.18 1wfu s PRO 10 Ca -0.01 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 1wfu s PRO 10 Cb -0.04 -1.85 0.34 0.00 0.04 0.00 0.00 34.50 33.00 1wfu s PRO 10 CO 0.02 -1.96 0.87 1.58 0.04 0.00 0.00 177.00 177.55 1wfu n HIS 11 N -3.71 -2.93 -0.27 0.56 -0.00 -1.26 -4.80 115.22 102.81 1wfu n HIS 11 Ca 0.08 -0.56 0.02 0.00 0.46 0.00 0.00 57.72 57.72 1wfu n HIS 11 Cb 0.54 -1.46 0.07 0.00 -0.12 0.00 0.00 29.99 29.02 1wfu n HIS 11 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1wfu n LYS 12 N -5.32 -0.12 -3.19 1.57 5.02 -1.26 -4.16 118.16 110.71 1wfu n LYS 12 Ca 0.09 1.13 -0.39 0.00 -2.02 0.00 0.00 58.31 57.13 1wfu n LYS 12 Cb 0.57 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wfu s VAL 13 N -5.81 4.63 -0.32 -0.18 1.01 -1.26 -5.05 120.40 113.43 1wfu s VAL 13 Ca -0.11 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 1wfu s VAL 13 Cb 0.17 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1wfu s VAL 13 CO 0.55 0.52 0.61 -0.69 0.00 0.00 0.00 175.10 176.09 1wfu s VAL 14 N -1.15 4.95 0.93 2.92 1.01 -1.26 -4.92 120.40 122.87 1wfu s VAL 14 Ca 0.32 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 62.94 1wfu s VAL 14 Cb -0.20 -4.00 0.15 0.00 0.00 0.00 0.00 36.38 32.33 1wfu s VAL 14 CO 0.21 -0.16 1.09 -2.16 0.00 0.00 0.00 175.10 174.08 1wfu s PRO 15 N 2.58 1.00 1.06 2.72 0.04 -1.26 -5.03 135.00 136.11 1wfu s PRO 15 Ca 0.24 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1wfu s PRO 15 Cb -0.15 -1.79 0.22 0.00 0.04 0.00 0.00 34.50 32.83 1wfu s PRO 15 CO 0.12 -2.40 1.07 -0.48 0.04 0.00 0.00 177.00 175.35 1wfu s LEU 16 N -6.30 1.35 0.45 -3.56 2.34 -1.26 -5.02 118.68 106.70 1wfu s LEU 16 Ca 0.64 1.37 -0.13 0.00 0.06 0.00 0.00 54.13 56.08 1wfu s LEU 16 Cb -0.18 -3.46 -0.07 0.00 -0.56 0.00 0.00 46.19 41.92 1wfu s LEU 16 CO 0.57 -3.55 0.86 -0.94 -1.06 0.00 0.00 176.35 172.23 1wfu s SER 17 N -3.04 6.55 0.33 1.48 1.04 -1.26 -4.93 113.70 113.86 1wfu s SER 17 Ca 0.66 1.30 -0.29 0.00 0.48 0.00 0.00 55.95 58.11 1wfu s SER 17 Cb -0.21 -2.40 -0.11 0.00 0.10 0.00 0.00 66.02 63.40 1wfu s SER 17 CO 0.60 -0.49 1.53 -0.54 0.98 0.00 0.00 173.24 175.33 1wfu s LYS 18 N -3.98 4.13 0.55 4.02 1.02 -1.26 -4.81 119.74 119.40 1wfu s LYS 18 Ca 0.54 2.55 -0.19 0.00 0.02 0.00 0.00 55.97 58.89 1wfu s LYS 18 Cb -0.10 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 1wfu s LYS 18 CO 0.32 -0.57 1.13 -1.25 -0.92 0.00 0.00 175.35 174.06 1wfu s PRO 19 N -1.19 3.34 0.57 -1.68 0.04 -1.26 -4.98 135.00 129.84 1wfu s PRO 19 Ca 0.58 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1wfu s PRO 19 Cb -0.47 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1wfu s PRO 19 CO 0.54 -0.86 0.97 -1.01 0.04 0.00 0.00 177.00 176.68 1wfu s HIS 20 N -1.78 3.58 0.25 0.56 3.76 -1.26 -3.95 115.29 116.44 1wfu s HIS 20 Ca 0.73 1.24 -0.30 0.00 -0.15 0.00 0.00 55.06 56.58 1wfu s HIS 20 Cb -0.24 -2.65 -0.09 0.00 1.11 0.00 0.00 32.58 30.70 1wfu s HIS 20 CO 0.27 -0.53 1.27 -1.25 -0.85 0.00 0.00 174.74 173.65 1wfu s PRO 21 N -4.83 4.43 0.44 8.40 0.04 -1.26 -4.82 135.00 137.40 1wfu s PRO 21 Ca 0.54 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.40 1wfu s PRO 21 Cb -0.11 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 1wfu s PRO 21 CO 0.47 -0.15 1.17 -1.25 0.04 0.00 0.00 177.00 177.28 1wfu s PRO 22 N -0.78 3.84 0.47 0.56 0.04 -1.26 -5.01 135.00 132.85 1wfu s PRO 22 Ca 0.52 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1wfu s PRO 22 Cb -0.36 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1wfu s PRO 22 CO 0.43 -0.49 0.87 0.08 0.04 0.00 0.00 177.00 177.92 1wfu s VAL 23 N -1.50 4.70 -0.32 -0.36 1.01 -1.02 -4.89 120.40 118.03 1wfu s VAL 23 Ca 0.62 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 1wfu s VAL 23 Cb -0.30 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1wfu s VAL 23 CO 0.36 -0.67 0.06 -0.69 0.00 0.00 0.00 175.10 174.16 1wfu s VAL 24 N -2.58 3.47 0.00 2.92 1.01 -1.26 -1.85 120.40 122.11 1wfu s VAL 24 Ca 0.54 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1wfu s VAL 24 Cb -0.10 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1wfu s VAL 24 CO 0.35 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1wfu n GLY 25 N 4.74 1.45 3.70 4.51 0.00 -1.03 -4.91 105.19 113.65 1wfu n GLY 25 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1wfu n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfu s LYS 26 N 0.17 4.39 -0.43 1.61 2.20 -1.26 -4.89 119.74 121.53 1wfu s LYS 26 Ca 0.00 1.69 -0.01 0.00 -0.36 0.00 0.00 55.97 57.28 1wfu s LYS 26 Cb 0.00 -3.49 0.12 0.00 -1.51 0.00 0.00 37.83 32.95 1wfu s LYS 26 CO 0.00 -0.37 0.21 0.08 -0.36 0.00 0.00 175.35 174.92 1wfu s VAL 27 N 1.80 3.13 0.11 4.02 1.01 -1.26 -0.30 120.40 128.91 1wfu s VAL 27 Ca 0.56 -2.29 0.03 0.00 0.00 0.00 0.00 61.98 60.28 1wfu s VAL 27 Cb -0.26 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1wfu s VAL 27 CO 0.24 -0.71 0.13 0.42 0.00 0.00 0.00 175.10 175.19 1wfu s THR 28 N 0.86 4.69 -2.00 3.92 -4.23 -0.42 -4.33 115.64 114.13 1wfu s THR 28 Ca 0.10 -0.82 0.14 0.00 -1.18 0.00 0.00 61.69 59.93 1wfu s THR 28 Cb -0.22 -3.32 0.39 0.00 1.34 0.00 0.00 72.50 70.69 1wfu s THR 28 CO -0.05 0.03 1.31 0.00 -0.54 0.00 0.00 174.62 175.38 1wfu n HIS 29 N 0.09 0.00 -0.13 3.99 1.44 -1.25 -2.21 115.22 117.14 1wfu n HIS 29 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1wfu n HIS 29 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1wfu n HIS 29 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1wfu n HIS 30 N -0.80 0.00 -3.62 -1.40 -0.00 -1.26 -2.60 115.22 105.54 1wfu n HIS 30 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1wfu n HIS 30 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.03 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wfu s SER 31 N -0.29 -0.08 -0.07 4.39 1.04 -0.94 -2.42 113.70 115.34 1wfu s SER 31 Ca 0.00 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1wfu s SER 31 Cb 0.00 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1wfu s SER 31 CO 0.00 -0.30 -0.07 -0.63 0.98 0.00 0.00 173.24 173.22 1wfu s ILE 32 N -2.44 0.81 0.10 -1.02 1.01 0.49 -1.30 121.20 118.85 1wfu s ILE 32 Ca 0.13 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 1wfu s ILE 32 Cb 0.03 -0.81 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 1wfu s ILE 32 CO -0.04 0.30 0.68 -0.70 0.00 0.00 0.00 174.94 175.18 1wfu s GLU 33 N 1.11 4.39 0.00 2.79 2.12 0.58 -0.15 118.70 129.56 1wfu s GLU 33 Ca -0.07 0.95 -0.00 0.00 0.36 0.00 0.00 54.97 56.20 1wfu s GLU 33 Cb -0.14 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 1wfu s GLU 33 CO -0.01 0.55 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.75 1wfu s LEU 34 N -0.94 2.04 -0.19 2.70 1.43 0.22 -2.46 118.68 121.49 1wfu s LEU 34 Ca 0.33 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 1wfu s LEU 34 Cb -0.21 0.05 0.07 0.00 0.03 0.00 0.00 46.19 46.13 1wfu s LEU 34 CO 0.22 -0.08 0.43 -0.72 0.23 0.00 0.00 176.35 176.43 1wfu s TYR 35 N -0.39 -0.71 -0.09 0.29 1.13 -0.77 0.12 117.35 116.93 1wfu s TYR 35 Ca -0.04 1.43 0.13 0.00 -1.41 0.00 0.00 57.07 57.18 1wfu s TYR 35 Cb -0.03 0.30 0.20 0.00 -1.10 0.00 0.00 41.96 41.34 1wfu s TYR 35 CO -0.00 -0.41 1.10 -2.67 -2.51 0.00 0.00 175.55 171.06 1wfu n TRP 36 N 4.71 0.00 0.09 -3.49 2.14 -0.92 -2.43 117.44 117.54 1wfu n TRP 36 Ca -0.17 -0.71 0.18 0.00 2.07 0.00 0.00 57.50 58.87 1wfu n TRP 36 Cb 0.53 -0.12 0.74 0.00 -0.81 0.00 0.00 31.31 31.65 1wfu n TRP 36 CO 0.00 0.00 0.00 0.22 2.07 0.00 0.00 177.69 179.98 1wfu h ASP 37 N 0.00 0.00 -0.99 -0.67 1.82 -1.95 -2.50 116.42 112.13 1wfu h ASP 37 Ca 0.00 0.00 0.22 0.00 -0.39 0.00 0.00 57.03 56.86 1wfu h ASP 37 Cb 1.10 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 40.92 1wfu h ASP 37 CO 0.00 0.00 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.39 1wfu h LEU 38 N 0.00 -0.79 0.31 2.28 4.07 -1.97 0.22 115.31 119.43 1wfu h LEU 38 Ca 0.18 0.29 -0.02 0.00 0.08 0.00 0.00 57.88 58.41 1wfu h LEU 38 Cb 0.80 0.58 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1wfu h LEU 38 CO -0.00 -0.34 -0.15 -0.33 -1.08 0.00 0.00 178.44 176.54 1wfu h GLU 39 N 0.00 -0.40 -2.19 1.13 4.39 -1.86 -2.95 114.58 112.70 1wfu h GLU 39 Ca 0.51 0.03 -0.15 0.00 0.34 0.00 0.00 59.36 60.09 1wfu h GLU 39 Cb 0.88 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.57 1wfu h GLU 39 CO -0.99 -0.26 -0.21 1.04 -1.16 0.00 0.00 179.01 177.42 1wfu n GLN 40 N -5.27 1.60 -0.73 2.33 3.00 0.75 -4.45 117.38 114.60 1wfu n GLN 40 Ca -0.10 -0.79 -0.14 0.00 -0.01 0.00 0.00 57.00 55.96 1wfu n GLN 40 Cb 0.19 -1.88 0.09 0.00 0.00 0.00 0.00 30.24 28.64 1wfu n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wfu n LYS 41 N 2.57 1.74 -4.54 -1.09 4.76 -1.12 -4.88 118.16 115.60 1wfu n LYS 41 Ca 0.34 -1.73 -0.28 0.00 -2.87 0.00 0.00 58.31 53.77 1wfu n LYS 41 Cb 0.73 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 32.11 1wfu n LYS 41 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wfu s GLU 42 N -1.91 1.46 0.43 1.97 2.56 -1.26 -5.11 118.70 116.83 1wfu s GLU 42 Ca 0.33 -1.21 -0.26 0.00 0.00 0.00 0.00 54.97 53.83 1wfu s GLU 42 Cb 0.27 -1.79 -0.09 0.00 2.00 0.00 0.00 34.13 34.53 1wfu s GLU 42 CO 0.05 0.44 1.40 0.15 -0.56 0.00 0.00 175.26 176.74 1wfu s LYS 43 N -1.71 3.83 -1.19 4.30 -0.14 -1.26 -4.93 119.74 118.64 1wfu s LYS 43 Ca 0.11 2.36 -0.10 0.00 -1.36 0.00 0.00 55.97 56.99 1wfu s LYS 43 Cb -0.10 -2.73 0.22 0.00 -1.68 0.00 0.00 37.83 33.54 1wfu s LYS 43 CO 0.04 -0.68 1.49 0.54 -0.76 0.00 0.00 175.35 175.98 1wfu n ARG 44 N -0.01 3.69 0.00 1.68 3.00 -1.26 -4.88 116.66 118.88 1wfu n ARG 44 Ca 0.04 -4.03 0.00 0.00 -0.01 0.00 0.00 57.85 53.85 1wfu n ARG 44 Cb 0.42 -2.80 0.00 0.00 0.00 0.00 0.00 32.46 30.08 1wfu n ARG 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1wfu n GLN 45 N 3.68 0.00 -0.54 5.56 3.00 -1.26 -4.72 117.38 123.11 1wfu n GLN 45 Ca 0.33 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.65 1wfu n GLN 45 Cb 0.38 -1.43 0.21 0.00 0.00 0.00 0.00 30.24 29.40 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wfu n GLY 46 N -0.96 -2.61 3.63 1.08 0.00 -1.26 -4.99 105.19 100.09 1wfu n GLY 46 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1wfu n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 47 N -3.87 -0.53 0.31 1.61 0.04 -1.26 -4.81 135.00 126.48 1wfu s PRO 47 Ca 0.57 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.84 1wfu s PRO 47 Cb -0.14 -1.65 0.67 0.00 0.04 0.00 0.00 34.50 33.42 1wfu s PRO 47 CO 0.60 -3.30 1.83 0.37 0.04 0.00 0.00 177.00 176.54 1wfu h GLN 48 N -2.29 0.83 -0.05 4.56 4.15 -1.94 0.26 115.11 120.63 1wfu h GLN 48 Ca -0.50 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 58.89 1wfu h GLN 48 Cb 1.31 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1wfu h GLN 48 CO 0.45 0.55 0.11 0.93 -1.93 0.00 0.00 178.83 178.94 1wfu h GLU 49 N 0.86 0.00 -0.68 1.69 4.39 -2.03 0.21 114.58 119.02 1wfu h GLU 49 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1wfu h GLU 49 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1wfu h GLU 49 CO -0.27 0.00 0.00 0.94 -1.16 0.00 0.00 179.01 178.52 1wfu n GLN 50 N -3.42 3.38 -3.14 2.33 -0.06 0.91 -4.92 117.38 112.47 1wfu n GLN 50 Ca -0.02 -2.07 -0.22 0.00 -2.00 0.00 0.00 57.00 52.70 1wfu n GLN 50 Cb 0.19 -1.91 0.01 0.00 -4.06 0.00 0.00 30.24 24.46 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1wfu s TRP 51 N -2.04 3.23 0.18 3.69 0.52 0.74 -4.87 118.94 120.39 1wfu s TRP 51 Ca 0.36 0.15 -0.04 0.00 0.02 0.00 0.00 56.10 56.59 1wfu s TRP 51 Cb 0.26 -2.20 -0.05 0.00 -1.15 0.00 0.00 33.47 30.33 1wfu s TRP 51 CO 0.13 -0.23 0.41 -0.51 0.02 0.00 0.00 176.95 176.77 1wfu s LEU 52 N -4.44 4.23 0.03 2.99 1.02 -1.26 -4.60 118.68 116.63 1wfu s LEU 52 Ca 0.47 0.59 -0.05 0.00 0.02 0.00 0.00 54.13 55.16 1wfu s LEU 52 Cb -0.10 -3.34 -0.05 0.00 0.02 0.00 0.00 46.19 42.73 1wfu s LEU 52 CO 0.36 -0.00 0.26 -0.60 0.02 0.00 0.00 176.35 176.38 1wfu s ARG 53 N -2.90 3.54 -0.10 1.70 3.52 -1.20 -4.74 118.95 118.76 1wfu s ARG 53 Ca 0.41 -0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1wfu s ARG 53 Cb -0.12 -3.05 0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1wfu s ARG 53 CO 0.26 0.63 -0.06 -0.06 -0.81 0.00 0.00 175.30 175.26 1wfu s PHE 54 N -1.37 1.26 -0.06 5.12 0.08 -0.63 -2.37 117.98 120.02 1wfu s PHE 54 Ca 0.30 -0.58 0.05 0.00 0.12 0.00 0.00 56.93 56.81 1wfu s PHE 54 Cb -0.13 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 1wfu s PHE 54 CO 0.19 -0.46 -0.20 -1.12 -0.10 0.00 0.00 175.22 173.53 1wfu s SER 55 N 1.76 3.55 -0.14 1.36 0.01 -0.63 -2.72 113.70 116.88 1wfu s SER 55 Ca 0.05 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.94 1wfu s SER 55 Cb -0.13 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.21 1wfu s SER 55 CO -0.07 0.28 -0.13 -0.63 0.41 0.00 0.00 173.24 173.10 1wfu s ILE 56 N -0.35 2.96 0.46 1.44 -1.09 -0.23 -0.40 121.20 123.98 1wfu s ILE 56 Ca 0.03 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 57.83 1wfu s ILE 56 Cb -0.12 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.49 1wfu s ILE 56 CO 0.02 0.51 0.29 -1.61 -1.23 0.00 0.00 174.94 172.92 1wfu s GLU 57 N 0.56 2.31 -0.13 2.79 2.02 -0.96 -0.04 118.70 125.25 1wfu s GLU 57 Ca -0.08 -1.85 -0.07 0.00 0.02 0.00 0.00 54.97 52.99 1wfu s GLU 57 Cb -0.16 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.03 1wfu s GLU 57 CO 0.04 -0.30 0.31 -1.83 0.02 0.00 0.00 175.26 173.50 1wfu s GLU 58 N -4.07 0.28 0.38 1.61 4.04 -0.26 -2.27 118.70 118.42 1wfu s GLU 58 Ca 0.39 0.60 -0.16 0.00 0.04 0.00 0.00 54.97 55.84 1wfu s GLU 58 Cb 0.00 -0.05 -0.09 0.00 0.02 0.00 0.00 34.13 34.01 1wfu s GLU 58 CO 0.22 -0.15 0.81 -2.00 -1.84 0.00 0.00 175.26 172.31 1wfu s GLU 59 N 1.15 4.01 -0.14 -4.83 2.12 -1.18 -1.02 118.70 118.82 1wfu s GLU 59 Ca -0.08 0.76 -0.04 0.00 0.36 0.00 0.00 54.97 55.97 1wfu s GLU 59 Cb -0.09 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1wfu s GLU 59 CO -0.09 0.04 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.15 1wfu s ASP 60 N -2.48 5.02 0.46 -1.70 1.01 0.63 -4.65 116.67 114.95 1wfu s ASP 60 Ca 0.56 -0.03 0.31 0.00 0.71 0.00 0.00 52.55 54.10 1wfu s ASP 60 Cb -0.10 -1.70 1.27 0.00 1.01 0.00 0.00 42.92 43.40 1wfu s ASP 60 CO 0.20 0.23 1.90 1.55 0.21 0.00 0.00 175.17 179.27 1wfu h PRO 61 N 6.25 0.00 0.00 8.23 0.13 -1.96 1.91 132.00 146.55 1wfu h PRO 61 Ca -0.38 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 1wfu h PRO 61 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1wfu h PRO 61 CO 0.61 0.00 -1.95 0.36 -0.23 0.00 0.00 178.00 176.80 1wfu n LYS 62 N -2.80 1.43 0.00 0.86 2.85 -1.26 -4.49 118.16 114.75 1wfu n LYS 62 Ca 0.01 -0.03 0.08 0.00 -1.05 0.00 0.00 58.31 57.32 1wfu n LYS 62 Cb 0.27 -1.37 0.03 0.00 -0.65 0.00 0.00 35.03 33.31 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfu n MET 63 N -2.45 1.49 -1.89 -1.58 2.81 -1.17 -4.95 117.12 109.38 1wfu n MET 63 Ca -0.20 -1.12 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 1wfu n MET 63 Cb 0.87 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 1wfu n MET 63 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 1wfu n HIS 64 N 0.38 -1.54 -4.40 2.03 1.44 0.65 -4.82 115.22 108.96 1wfu n HIS 64 Ca 0.08 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.53 1wfu n HIS 64 Cb 0.36 -0.91 -0.12 0.00 0.12 0.00 0.00 29.99 29.45 1wfu n HIS 64 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wfu s SER 65 N -1.54 3.26 0.31 4.39 0.15 -1.24 -4.76 113.70 114.27 1wfu s SER 65 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1wfu s SER 65 Cb 0.00 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1wfu s SER 65 CO 0.00 0.09 0.51 -0.31 1.20 0.00 0.00 173.24 174.73 1wfu s TYR 66 N -1.72 3.49 -0.18 3.44 1.51 -1.26 -0.27 117.35 122.36 1wfu s TYR 66 Ca 0.19 0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 56.46 1wfu s TYR 66 Cb -0.08 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1wfu s TYR 66 CO 0.09 0.19 0.46 0.20 -1.11 0.00 0.00 175.55 175.38 1wfu s GLY 67 N -3.80 -0.36 -0.21 0.71 0.00 -0.19 -4.86 107.32 98.61 1wfu s GLY 67 Ca 0.40 1.46 -0.28 0.00 0.00 0.00 0.00 44.72 46.29 1wfu s GLY 67 CO 0.34 1.41 2.12 0.14 0.00 0.00 0.00 173.10 177.10 1wfu s VAL 68 N 0.74 3.10 -0.15 1.40 1.01 -1.26 -1.10 120.40 124.15 1wfu s VAL 68 Ca -0.04 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1wfu s VAL 68 Cb -0.05 -3.12 -0.23 0.00 0.00 0.00 0.00 36.38 32.97 1wfu s VAL 68 CO -0.05 -0.07 0.26 2.30 0.00 0.00 0.00 175.10 177.53 1wfu n ILE 69 N 7.47 1.54 -3.94 2.22 -5.35 0.95 -4.97 119.36 117.27 1wfu n ILE 69 Ca 0.28 -0.76 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1wfu n ILE 69 Cb 0.45 -0.99 -0.13 0.00 -1.74 0.00 0.00 39.64 37.23 1wfu n ILE 69 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wfu s TYR 70 N -2.54 0.17 -0.20 4.28 5.04 -0.90 -5.01 117.35 118.19 1wfu s TYR 70 Ca -0.14 -0.24 -0.04 0.00 -2.44 0.00 0.00 57.07 54.21 1wfu s TYR 70 Cb 0.07 -0.12 0.10 0.00 0.35 0.00 0.00 41.96 42.37 1wfu s TYR 70 CO 0.78 -0.08 0.35 -0.08 -1.34 0.00 0.00 175.55 175.19 1wfu s THR 71 N -0.65 -0.55 0.00 4.34 -1.32 -1.26 -1.07 115.64 115.13 1wfu s THR 71 Ca -0.07 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1wfu s THR 71 Cb -0.05 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1wfu s THR 71 CO -0.00 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1wfu n GLY 72 N 5.37 1.95 0.49 6.08 0.00 -1.10 -5.03 105.19 112.94 1wfu n GLY 72 Ca -0.06 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.64 1wfu n GLY 72 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wfu n TYR 73 N 0.00 0.00 -2.84 1.61 4.02 -1.26 -1.60 117.16 117.09 1wfu n TYR 73 Ca 0.00 -1.13 -0.20 0.00 -0.01 0.00 0.00 57.90 56.56 1wfu n TYR 73 Cb 0.00 -0.19 0.05 0.00 -0.02 0.00 0.00 39.34 39.18 1wfu n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfu s ALA 74 N -2.59 4.27 -0.07 -0.72 0.00 -1.26 -4.93 121.76 116.45 1wfu s ALA 74 Ca 0.33 -1.75 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1wfu s ALA 74 Cb 0.31 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1wfu s ALA 74 CO -0.04 -0.81 0.01 0.25 0.00 0.00 0.00 175.76 175.16 1wfu n THR 75 N -2.29 0.49 -3.45 0.00 -2.24 -1.26 -4.72 114.28 100.80 1wfu n THR 75 Ca 0.12 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1wfu n THR 75 Cb 0.60 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1wfu n THR 75 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfu s ARG 76 N -2.17 3.60 -0.30 -0.78 3.52 -1.26 -2.16 118.95 119.40 1wfu s ARG 76 Ca -0.05 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.37 1wfu s ARG 76 Cb 0.02 -2.71 0.15 0.00 -1.56 0.00 0.00 34.95 30.86 1wfu s ARG 76 CO 0.27 0.28 0.70 -1.58 -0.81 0.00 0.00 175.30 174.16 1wfu s HIS 77 N -2.00 -1.29 -0.51 5.12 2.46 0.12 -4.96 115.29 114.23 1wfu s HIS 77 Ca 0.42 1.97 -0.09 0.00 0.47 0.00 0.00 55.06 57.83 1wfu s HIS 77 Cb -0.11 0.68 0.13 0.00 -0.13 0.00 0.00 32.58 33.15 1wfu s HIS 77 CO 0.29 -0.66 0.38 0.08 -2.47 0.00 0.00 174.74 172.36 1wfu s VAL 78 N 2.83 4.26 -0.14 0.89 1.01 -1.26 -0.61 120.40 127.39 1wfu s VAL 78 Ca 0.01 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 59.78 1wfu s VAL 78 Cb -0.12 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1wfu s VAL 78 CO -0.19 -0.80 1.95 -0.69 0.00 0.00 0.00 175.10 175.37 1wfu s VAL 79 N 1.18 3.23 0.41 2.92 1.01 0.79 -4.76 120.40 125.17 1wfu s VAL 79 Ca 0.07 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1wfu s VAL 79 Cb -0.25 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 32.98 1wfu s VAL 79 CO -0.01 -0.10 0.57 -0.62 0.00 0.00 0.00 175.10 174.93 1wfu n GLU 80 N 8.03 0.41 -3.64 2.72 4.71 -1.26 -0.38 120.64 131.24 1wfu n GLU 80 Ca 0.23 -1.78 -0.22 0.00 -0.01 0.00 0.00 57.16 55.38 1wfu n GLU 80 Cb 0.44 -0.30 0.04 0.00 -1.01 0.00 0.00 31.44 30.61 1wfu n GLU 80 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wfu n GLY 81 N 0.43 -0.52 3.62 0.62 0.00 -1.17 -4.88 105.19 103.29 1wfu n GLY 81 Ca 0.10 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1wfu n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfu s LEU 82 N -6.48 3.05 0.18 0.99 1.43 -1.01 -5.01 118.68 111.82 1wfu s LEU 82 Ca 0.14 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1wfu s LEU 82 Cb -0.04 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1wfu s LEU 82 CO 0.81 -0.08 0.15 -1.61 0.23 0.00 0.00 176.35 175.86 1wfu s GLU 83 N -3.67 2.93 0.27 1.70 2.02 -1.26 -4.29 118.70 116.40 1wfu s GLU 83 Ca 0.33 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 1wfu s GLU 83 Cb -0.04 -2.64 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 1wfu s GLU 83 CO 0.19 0.47 1.25 -1.25 0.02 0.00 0.00 175.26 175.95 1wfu s PRO 84 N -3.25 4.44 -1.30 0.39 0.04 -1.07 -3.46 135.00 130.80 1wfu s PRO 84 Ca 0.31 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1wfu s PRO 84 Cb -0.10 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1wfu s PRO 84 CO 0.24 -0.11 0.70 0.54 0.04 0.00 0.00 177.00 178.41 1wfu n ARG 85 N 1.54 -4.72 -4.37 4.56 5.12 -0.52 -4.93 116.66 113.34 1wfu n ARG 85 Ca 0.02 0.62 -0.22 0.00 -1.93 0.00 0.00 57.85 56.34 1wfu n ARG 85 Cb 0.43 -5.15 -0.16 0.00 -1.16 0.00 0.00 32.46 26.42 1wfu n ARG 85 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wfu s THR 86 N -3.66 0.81 0.33 0.55 2.01 -1.22 -4.91 115.64 109.55 1wfu s THR 86 Ca 0.02 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 1wfu s THR 86 Cb -0.01 -0.77 -0.09 0.00 0.01 0.00 0.00 72.50 71.64 1wfu s THR 86 CO 0.81 0.28 1.08 -0.22 -0.69 0.00 0.00 174.62 175.88 1wfu s LEU 87 N 0.73 4.37 -0.13 4.42 1.98 -1.26 -2.18 118.68 126.61 1wfu s LEU 87 Ca -0.12 2.18 -0.04 0.00 -2.89 0.00 0.00 54.13 53.26 1wfu s LEU 87 Cb -0.15 -3.87 0.06 0.00 0.66 0.00 0.00 46.19 42.90 1wfu s LEU 87 CO 0.02 -0.30 0.13 -0.31 -1.89 0.00 0.00 176.35 174.00 1wfu s TYR 88 N -1.37 -0.03 0.16 5.38 2.02 0.40 -4.92 117.35 118.99 1wfu s TYR 88 Ca 0.50 0.14 -0.14 0.00 -0.37 0.00 0.00 57.07 57.21 1wfu s TYR 88 Cb -0.28 -0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 1wfu s TYR 88 CO 0.35 -0.41 0.56 0.15 -1.57 0.00 0.00 175.55 174.63 1wfu s LYS 89 N 2.23 3.98 0.01 -0.62 1.02 -1.26 -1.43 119.74 123.66 1wfu s LYS 89 Ca 0.04 0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.42 1wfu s LYS 89 Cb -0.14 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1wfu s LYS 89 CO -0.08 0.46 0.21 -0.06 -0.92 0.00 0.00 175.35 174.96 1wfu s PHE 90 N -1.51 -0.02 0.07 3.18 0.08 -0.87 -3.11 117.98 115.81 1wfu s PHE 90 Ca 0.39 -0.07 0.08 0.00 0.12 0.00 0.00 56.93 57.46 1wfu s PHE 90 Cb -0.15 0.00 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 1wfu s PHE 90 CO 0.19 -0.37 -0.22 1.03 -0.10 0.00 0.00 175.22 175.75 1wfu s ARG 91 N -1.81 1.35 -0.33 0.44 0.52 -0.96 -0.21 118.95 117.96 1wfu s ARG 91 Ca -0.11 -1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 53.96 1wfu s ARG 91 Cb -0.05 -1.57 0.03 0.00 0.52 0.00 0.00 34.95 33.89 1wfu s ARG 91 CO 0.00 0.39 0.09 -1.17 0.02 0.00 0.00 175.30 174.63 1wfu s LEU 92 N -1.53 4.18 -0.03 2.53 2.96 -1.26 -2.25 118.68 123.27 1wfu s LEU 92 Ca 0.08 -1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 52.94 1wfu s LEU 92 Cb -0.09 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1wfu s LEU 92 CO 0.03 -0.29 0.11 -0.75 -1.32 0.00 0.00 176.35 174.13 1wfu s LYS 93 N 1.42 3.21 -0.00 1.98 2.20 0.46 -0.10 119.74 128.90 1wfu s LYS 93 Ca -0.01 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1wfu s LYS 93 Cb -0.19 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1wfu s LYS 93 CO 0.03 0.68 -0.01 0.14 -0.36 0.00 0.00 175.35 175.83 1wfu s VAL 94 N -1.16 0.09 -0.23 4.02 -7.23 -0.63 -1.60 120.40 113.65 1wfu s VAL 94 Ca 0.21 -0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1wfu s VAL 94 Cb -0.12 -0.10 0.06 0.00 0.56 0.00 0.00 36.38 36.77 1wfu s VAL 94 CO 0.12 0.04 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.01 1wfu s THR 95 N 0.15 1.52 0.89 5.32 2.01 -1.00 -0.85 115.64 123.68 1wfu s THR 95 Ca -0.01 -1.20 -0.13 0.00 0.31 0.00 0.00 61.69 60.66 1wfu s THR 95 Cb -0.03 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1wfu s THR 95 CO -0.00 -0.09 0.61 -1.20 -0.69 0.00 0.00 174.62 173.25 1wfu n SER 96 N 4.68 -1.28 0.00 3.53 7.64 0.22 -3.26 113.62 125.14 1wfu n SER 96 Ca -0.12 0.42 0.05 0.00 1.01 0.00 0.00 58.87 60.23 1wfu n SER 96 Cb 0.44 -1.28 0.32 0.00 -1.01 0.00 0.00 64.21 62.69 1wfu n SER 96 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wfu n PRO 97 N -2.02 0.49 -0.11 1.43 -0.04 -1.26 -2.40 135.00 131.09 1wfu n PRO 97 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1wfu n PRO 97 Cb 0.52 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 1wfu n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu n SER 98 N -0.85 0.80 0.00 3.54 2.88 -1.26 -5.01 113.62 113.71 1wfu n SER 98 Ca 0.08 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wfu n SER 98 Cb 0.04 0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 99 N 1.96 1.07 3.77 0.46 0.00 -1.01 -5.14 105.19 106.31 1wfu n GLY 99 Ca -0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1wfu n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfu s GLU 100 N 0.00 2.82 0.12 1.61 0.41 -1.26 -4.78 118.70 117.62 1wfu s GLU 100 Ca 0.00 1.42 -0.22 0.00 -0.41 0.00 0.00 54.97 55.76 1wfu s GLU 100 Cb 0.00 -1.95 0.06 0.00 -1.78 0.00 0.00 34.13 30.46 1wfu s GLU 100 CO 0.00 -1.24 0.55 1.52 -0.49 0.00 0.00 175.26 175.60 1wfu s TYR 101 N -2.29 -0.45 0.32 1.61 1.13 -1.26 0.69 117.35 117.09 1wfu s TYR 101 Ca 0.68 0.29 -0.08 0.00 -1.41 0.00 0.00 57.07 56.54 1wfu s TYR 101 Cb -0.21 0.45 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 1wfu s TYR 101 CO 0.41 -0.77 0.54 -1.21 -2.51 0.00 0.00 175.55 172.00 1wfu s GLU 102 N -3.44 1.87 0.10 -3.49 0.41 -0.03 -4.89 118.70 109.24 1wfu s GLU 102 Ca -0.00 -1.54 0.08 0.00 -0.41 0.00 0.00 54.97 53.10 1wfu s GLU 102 Cb -0.00 0.49 -0.03 0.00 -1.78 0.00 0.00 34.13 32.80 1wfu s GLU 102 CO -0.10 -0.80 -0.20 0.71 -0.49 0.00 0.00 175.26 174.38 1wfu s TYR 103 N -3.20 1.73 0.45 1.61 1.51 -1.26 -1.61 117.35 116.57 1wfu s TYR 103 Ca 0.25 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1wfu s TYR 103 Cb -0.01 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1wfu s TYR 103 CO 0.15 0.20 0.66 -1.54 -1.11 0.00 0.00 175.55 173.91 1wfu s SER 104 N -1.96 5.77 -0.12 2.29 1.04 0.85 -4.01 113.70 117.57 1wfu s SER 104 Ca 0.06 0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 1wfu s SER 104 Cb -0.10 -1.38 -0.04 0.00 0.10 0.00 0.00 66.02 64.60 1wfu s SER 104 CO 0.04 -0.73 1.54 -2.16 0.98 0.00 0.00 173.24 172.91 1wfu s PRO 105 N -4.53 4.12 0.14 4.02 0.04 -1.26 -4.38 135.00 133.15 1wfu s PRO 105 Ca 0.49 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 63.27 1wfu s PRO 105 Cb -0.10 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.38 1wfu s PRO 105 CO 0.37 -0.90 0.41 1.55 0.04 0.00 0.00 177.00 178.47 1wfu n VAL 106 N 5.63 1.39 -3.93 -0.36 3.14 -1.26 -4.74 118.33 118.20 1wfu n VAL 106 Ca 0.17 -0.35 -0.31 0.00 -2.96 0.00 0.00 64.34 60.89 1wfu n VAL 106 Cb 0.44 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.07 1wfu n VAL 106 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1wfu s VAL 107 N -0.69 1.72 -0.14 1.55 -7.23 0.71 -4.90 120.40 111.42 1wfu s VAL 107 Ca 0.48 -1.80 -0.25 0.00 -1.81 0.00 0.00 61.98 58.60 1wfu s VAL 107 Cb -0.70 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 1wfu s VAL 107 CO 0.41 -0.48 0.78 -0.94 -0.31 0.00 0.00 175.10 174.56 1wfu s SER 108 N 1.22 6.95 -0.04 4.85 1.04 -1.26 -2.06 113.70 124.40 1wfu s SER 108 Ca 0.06 1.17 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1wfu s SER 108 Cb -0.19 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1wfu s SER 108 CO -0.12 -0.31 -0.04 0.68 0.98 0.00 0.00 173.24 174.43 1wfu s VAL 109 N 1.73 0.51 -0.24 5.02 -7.23 -0.51 -4.90 120.40 114.78 1wfu s VAL 109 Ca 0.38 -0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.30 1wfu s VAL 109 Cb -0.17 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1wfu s VAL 109 CO 0.14 0.22 0.31 0.00 -0.31 0.00 0.00 175.10 175.47 1wfu s ALA 110 N 0.95 3.57 1.40 1.32 0.00 -1.26 -0.45 121.76 127.28 1wfu s ALA 110 Ca -0.11 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.84 1wfu s ALA 110 Cb -0.14 -2.58 0.36 0.00 0.00 0.00 0.00 23.12 20.75 1wfu s ALA 110 CO -0.00 -0.45 0.98 0.95 0.00 0.00 0.00 175.76 177.24 1wfu s THR 111 N 1.61 1.20 0.68 0.00 -4.23 -0.93 -4.87 115.64 109.10 1wfu s THR 111 Ca 0.14 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1wfu s THR 111 Cb -0.15 -2.20 0.12 0.00 1.34 0.00 0.00 72.50 71.61 1wfu s THR 111 CO 0.08 0.00 0.93 0.42 -0.54 0.00 0.00 174.62 175.52 1wfu s THR 112 N -2.48 2.05 0.38 3.99 -4.23 -1.26 -3.77 115.64 110.32 1wfu s THR 112 Ca 0.70 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 1wfu s THR 112 Cb -0.10 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.40 1wfu s THR 112 CO 0.56 0.00 0.74 0.00 -0.54 0.00 0.00 174.62 175.39 1wfu s ARG 113 N -4.98 3.80 -0.29 3.99 1.70 -1.26 -1.44 118.95 120.47 1wfu s ARG 113 Ca 0.66 0.46 -0.00 0.00 -0.47 0.00 0.00 55.73 56.38 1wfu s ARG 113 Cb -0.05 -2.42 0.25 0.00 -0.57 0.00 0.00 34.95 32.16 1wfu s ARG 113 CO 0.43 0.02 1.84 -0.85 -1.08 0.00 0.00 175.30 175.66 1wfu n GLU 114 N -1.10 1.74 -1.33 3.89 0.28 -1.26 -4.65 120.64 118.21 1wfu n GLU 114 Ca 0.02 -1.53 -0.43 0.00 -0.16 0.00 0.00 57.16 55.06 1wfu n GLU 114 Cb 0.54 -1.60 -0.13 0.00 1.43 0.00 0.00 31.44 31.68 1wfu n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1wfu n SER 115 N 0.15 0.40 -4.93 -1.84 3.41 -1.26 -4.87 113.62 104.68 1wfu n SER 115 Ca 0.30 0.31 -0.25 0.00 -0.26 0.00 0.00 58.87 58.96 1wfu n SER 115 Cb 0.72 -0.85 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1wfu n SER 115 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfu s GLY 116 N 7.57 1.42 0.00 5.00 0.00 -1.26 -4.97 107.32 115.08 1wfu s GLY 116 Ca 1.22 -0.77 0.15 0.00 0.00 0.00 0.00 44.72 45.32 1wfu s GLY 116 CO 0.50 -0.65 1.42 -1.55 0.00 0.00 0.00 173.10 172.82 1wfu n PRO 117 N -2.00 0.15 -0.39 2.90 -0.04 -1.26 -3.85 135.00 130.50 1wfu n PRO 117 Ca -0.02 0.18 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1wfu n PRO 117 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1wfu n PRO 117 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfu h SER 118 N 0.00 -1.64 -4.12 3.54 0.87 -1.98 -3.38 113.55 106.83 1wfu h SER 118 Ca 0.00 0.32 -0.52 0.00 -1.23 0.00 0.00 61.79 60.36 1wfu h SER 118 Cb 0.17 0.82 0.10 0.00 -0.44 0.00 0.00 62.40 63.05 1wfu h SER 118 CO 0.00 -0.27 0.43 -0.44 -0.53 0.00 0.00 176.83 176.02 1wfu s SER 119 N -5.40 5.23 0.00 6.23 0.01 -1.25 -5.32 113.70 113.20 1wfu s SER 119 Ca -0.13 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1wfu s SER 119 Cb 0.18 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1wfu s SER 119 CO 0.69 -1.56 0.00 0.61 0.41 0.00 0.00 173.24 173.39