#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 6.89 -0.12 1.61 0.01 -1.26 -4.97 113.70 115.86 1wfu s SER 2 Ca 0.00 -2.55 -0.29 0.00 1.31 0.00 0.00 55.95 54.42 1wfu s SER 2 Cb 0.00 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 1wfu s SER 2 CO 0.00 -1.04 1.76 -0.44 0.41 0.00 0.00 173.24 173.93 1wfu s SER 3 N 3.76 6.39 -1.04 2.44 0.01 -1.26 -4.93 113.70 119.07 1wfu s SER 3 Ca 0.48 2.05 -0.06 0.00 1.31 0.00 0.00 55.95 59.74 1wfu s SER 3 Cb 0.01 -2.53 0.27 0.00 0.21 0.00 0.00 66.02 63.98 1wfu s SER 3 CO 0.03 -1.18 1.09 0.61 0.41 0.00 0.00 173.24 174.20 1wfu n GLY 4 N 4.57 4.39 3.68 3.44 0.00 -1.26 -5.03 105.19 114.98 1wfu n GLY 4 Ca 0.20 -2.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.18 1wfu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfu s SER 5 N 0.22 7.13 -0.67 1.61 0.15 -1.26 -4.95 113.70 115.93 1wfu s SER 5 Ca 0.31 1.62 -0.26 0.00 0.70 0.00 0.00 55.95 58.31 1wfu s SER 5 Cb -0.06 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1wfu s SER 5 CO -0.06 -0.56 2.06 -0.94 1.20 0.00 0.00 173.24 174.94 1wfu s SER 6 N 1.33 4.91 -0.66 5.45 1.04 -1.26 -4.91 113.70 119.60 1wfu s SER 6 Ca 0.51 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 57.02 1wfu s SER 6 Cb -0.20 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.54 1wfu s SER 6 CO 0.17 -2.73 0.66 -0.83 0.98 0.00 0.00 173.24 171.49 1wfu s GLY 7 N 9.27 2.18 -0.14 7.32 0.00 -1.26 -5.02 107.32 119.68 1wfu s GLY 7 Ca 0.77 -2.72 0.01 0.00 0.00 0.00 0.00 44.72 42.78 1wfu s GLY 7 CO 0.16 1.34 -0.15 -3.16 0.00 0.00 0.00 173.10 171.29 1wfu s MET 8 N 1.46 2.34 0.55 2.90 0.23 -1.26 -5.11 119.30 120.40 1wfu s MET 8 Ca 0.11 -0.58 -0.19 0.00 -1.03 0.00 0.00 55.69 53.99 1wfu s MET 8 Cb -0.22 -2.07 -0.08 0.00 -1.53 0.00 0.00 34.83 30.93 1wfu s MET 8 CO -0.01 -0.17 0.72 0.39 -2.03 0.00 0.00 175.02 173.93 1wfu n GLU 9 N 4.55 0.74 -0.89 3.16 4.71 -1.26 -4.98 120.64 126.67 1wfu n GLU 9 Ca -0.18 0.28 -0.26 0.00 -0.01 0.00 0.00 57.16 57.00 1wfu n GLU 9 Cb 0.50 -1.87 0.21 0.00 -1.01 0.00 0.00 31.44 29.28 1wfu n GLU 9 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1wfu n PRO 10 N -0.28 -2.85 -0.66 3.49 -0.04 -1.26 -5.00 135.00 128.40 1wfu n PRO 10 Ca 0.12 -1.49 -0.29 0.00 -0.04 0.00 0.00 63.50 61.79 1wfu n PRO 10 Cb 0.46 -1.40 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 1wfu n PRO 10 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wfu n HIS 11 N -4.52 -1.67 -0.28 0.54 1.44 -1.26 -4.72 115.22 104.74 1wfu n HIS 11 Ca 0.13 0.15 0.13 0.00 -2.01 0.00 0.00 57.72 56.12 1wfu n HIS 11 Cb 0.50 -1.49 0.26 0.00 0.12 0.00 0.00 29.99 29.38 1wfu n HIS 11 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1wfu n LYS 12 N -1.52 -0.06 -3.53 -1.40 4.81 -1.26 -4.13 118.16 111.06 1wfu n LYS 12 Ca 0.02 1.22 -0.38 0.00 -0.87 0.00 0.00 58.31 58.30 1wfu n LYS 12 Cb 0.57 -1.95 -0.06 0.00 0.02 0.00 0.00 35.03 33.61 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wfu s VAL 13 N -5.72 5.12 -0.24 3.15 1.01 -1.26 -5.07 120.40 117.38 1wfu s VAL 13 Ca -0.10 0.76 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 1wfu s VAL 13 Cb 0.24 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1wfu s VAL 13 CO 0.64 0.55 0.30 -0.69 0.00 0.00 0.00 175.10 175.89 1wfu s VAL 14 N -0.80 5.25 0.93 2.92 1.01 -1.26 -4.87 120.40 123.58 1wfu s VAL 14 Ca 0.22 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1wfu s VAL 14 Cb -0.16 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.74 1wfu s VAL 14 CO 0.11 0.25 1.09 -2.16 0.00 0.00 0.00 175.10 174.40 1wfu s PRO 15 N 1.49 0.96 0.29 2.72 0.04 -1.26 -4.95 135.00 134.28 1wfu s PRO 15 Ca 0.13 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 1wfu s PRO 15 Cb -0.15 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1wfu s PRO 15 CO 0.08 -2.42 1.42 1.47 0.04 0.00 0.00 177.00 177.59 1wfu n LEU 16 N -3.99 3.59 -4.72 -3.56 -0.00 -1.26 -4.94 117.00 102.12 1wfu n LEU 16 Ca 0.06 1.17 -0.31 0.00 -0.00 0.00 0.00 56.01 56.92 1wfu n LEU 16 Cb 0.56 -1.49 0.13 0.00 -0.00 0.00 0.00 43.42 42.62 1wfu n LEU 16 CO 0.56 -0.32 0.70 -0.55 -0.00 0.00 0.00 177.39 177.79 1wfu s SER 17 N 0.14 3.69 0.32 1.45 0.15 -1.26 -4.78 113.70 113.41 1wfu s SER 17 Ca 0.63 2.08 -0.30 0.00 0.70 0.00 0.00 55.95 59.07 1wfu s SER 17 Cb -0.58 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.06 1wfu s SER 17 CO 0.54 -2.59 1.57 0.29 1.20 0.00 0.00 173.24 174.25 1wfu n LYS 18 N -3.73 2.71 -2.26 5.44 5.02 -1.26 -4.85 118.16 119.22 1wfu n LYS 18 Ca 0.11 0.96 -0.36 0.00 -2.02 0.00 0.00 58.31 57.00 1wfu n LYS 18 Cb 0.52 -2.73 -0.01 0.00 -0.02 0.00 0.00 35.03 32.79 1wfu n LYS 18 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wfu s PRO 19 N -0.90 3.63 0.57 1.97 0.04 -1.26 -4.99 135.00 134.06 1wfu s PRO 19 Ca 0.61 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 1wfu s PRO 19 Cb -0.49 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.72 1wfu s PRO 19 CO 0.52 -0.65 1.01 -1.01 0.04 0.00 0.00 177.00 176.92 1wfu s HIS 20 N -1.62 3.48 0.34 0.56 3.76 -1.26 -4.15 115.29 116.40 1wfu s HIS 20 Ca 0.67 1.39 -0.28 0.00 -0.15 0.00 0.00 55.06 56.69 1wfu s HIS 20 Cb -0.27 -2.78 -0.09 0.00 1.11 0.00 0.00 32.58 30.55 1wfu s HIS 20 CO 0.32 -0.59 1.21 -1.25 -0.85 0.00 0.00 174.74 173.58 1wfu s PRO 21 N -4.58 4.31 0.56 8.40 0.04 -1.26 -4.87 135.00 137.60 1wfu s PRO 21 Ca 0.58 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.42 1wfu s PRO 21 Cb -0.11 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 1wfu s PRO 21 CO 0.42 -0.15 1.13 -1.25 0.04 0.00 0.00 177.00 177.19 1wfu s PRO 22 N -1.89 3.26 0.29 0.56 0.04 -1.26 -5.01 135.00 130.99 1wfu s PRO 22 Ca 0.51 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 1wfu s PRO 22 Cb -0.35 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1wfu s PRO 22 CO 0.45 -0.92 0.57 0.08 0.04 0.00 0.00 177.00 177.23 1wfu s VAL 23 N -1.87 4.99 -0.57 -0.36 1.01 -0.99 -4.92 120.40 117.69 1wfu s VAL 23 Ca 0.72 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 1wfu s VAL 23 Cb -0.23 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.59 1wfu s VAL 23 CO 0.29 -0.29 0.43 -0.69 0.00 0.00 0.00 175.10 174.84 1wfu s VAL 24 N -2.06 4.13 0.00 2.92 1.01 -1.26 -2.19 120.40 122.95 1wfu s VAL 24 Ca 0.45 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1wfu s VAL 24 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1wfu s VAL 24 CO 0.28 -0.84 0.09 0.61 0.00 0.00 0.00 175.10 175.24 1wfu n GLY 25 N 4.23 -0.17 3.74 4.51 0.00 -1.23 -4.83 105.19 111.43 1wfu n GLY 25 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.18 4.58 -0.24 1.61 2.20 -1.26 -4.97 119.74 121.48 1wfu s LYS 26 Ca 0.00 1.23 0.02 0.00 -0.36 0.00 0.00 55.97 56.86 1wfu s LYS 26 Cb 0.00 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1wfu s LYS 26 CO 0.00 0.25 -0.10 0.08 -0.36 0.00 0.00 175.35 175.22 1wfu s VAL 27 N -0.02 1.88 0.24 4.02 1.01 -1.26 -1.32 120.40 124.95 1wfu s VAL 27 Ca 0.42 -1.37 0.11 0.00 0.00 0.00 0.00 61.98 61.14 1wfu s VAL 27 Cb -0.22 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1wfu s VAL 27 CO 0.26 0.01 -0.18 0.42 0.00 0.00 0.00 175.10 175.61 1wfu s THR 28 N 1.25 2.62 -2.01 3.92 -4.23 -0.98 -4.70 115.64 111.50 1wfu s THR 28 Ca -0.06 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1wfu s THR 28 Cb -0.19 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.62 1wfu s THR 28 CO -0.06 -0.28 1.40 0.00 -0.54 0.00 0.00 174.62 175.14 1wfu n HIS 29 N -0.30 0.03 0.00 3.99 1.44 -1.25 -3.22 115.22 115.90 1wfu n HIS 29 Ca -0.08 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1wfu n HIS 29 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 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 -0.56 0.00 -3.96 -1.40 -0.00 -1.26 -2.79 115.22 105.25 1wfu n HIS 30 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.68 1wfu n HIS 30 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.04 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wfu s SER 31 N -1.67 0.46 -0.07 4.39 0.01 -1.20 -1.03 113.70 114.60 1wfu s SER 31 Ca 0.00 -1.30 -0.03 0.00 1.31 0.00 0.00 55.95 55.94 1wfu s SER 31 Cb 0.00 0.74 0.04 0.00 0.21 0.00 0.00 66.02 67.01 1wfu s SER 31 CO 0.00 -1.46 0.13 -0.63 0.41 0.00 0.00 173.24 171.69 1wfu s ILE 32 N -2.81 -0.19 0.22 1.44 1.01 -0.81 -2.33 121.20 117.74 1wfu s ILE 32 Ca 0.23 0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.96 1wfu s ILE 32 Cb -0.03 -0.24 -0.09 0.00 0.01 0.00 0.00 42.46 42.12 1wfu s ILE 32 CO 0.16 0.15 0.87 -0.70 0.00 0.00 0.00 174.94 175.41 1wfu s GLU 33 N 2.06 4.68 -0.03 2.79 2.12 -0.44 -0.50 118.70 129.40 1wfu s GLU 33 Ca 0.01 1.31 -0.01 0.00 0.36 0.00 0.00 54.97 56.64 1wfu s GLU 33 Cb -0.12 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1wfu s GLU 33 CO -0.05 0.51 0.07 -0.51 -0.54 0.00 0.00 175.26 174.73 1wfu s LEU 34 N -1.31 1.35 -0.09 2.70 1.43 0.61 -3.51 118.68 119.86 1wfu s LEU 34 Ca 0.40 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1wfu s LEU 34 Cb -0.24 0.14 0.05 0.00 0.03 0.00 0.00 46.19 46.17 1wfu s LEU 34 CO 0.28 -0.08 0.18 -0.72 0.23 0.00 0.00 176.35 176.24 1wfu s TYR 35 N 0.59 -0.22 -0.13 0.29 -0.85 -0.93 0.80 117.35 116.90 1wfu s TYR 35 Ca -0.05 0.63 0.17 0.00 -0.52 0.00 0.00 57.07 57.30 1wfu s TYR 35 Cb -0.07 -0.14 0.29 0.00 0.38 0.00 0.00 41.96 42.43 1wfu s TYR 35 CO -0.02 -0.24 1.15 -2.67 -1.52 0.00 0.00 175.55 172.25 1wfu n TRP 36 N 4.84 0.00 0.20 -3.49 2.14 -0.95 -2.34 117.44 117.84 1wfu n TRP 36 Ca -0.14 -1.01 0.17 0.00 2.07 0.00 0.00 57.50 58.59 1wfu n TRP 36 Cb 0.51 -0.16 0.72 0.00 -0.81 0.00 0.00 31.31 31.57 1wfu n TRP 36 CO 0.00 0.00 0.00 0.38 2.07 0.00 0.00 177.69 180.14 1wfu h ASP 37 N 0.17 0.00 0.00 -0.67 2.03 -1.96 -2.95 116.42 113.04 1wfu h ASP 37 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1wfu h ASP 37 Cb 1.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1wfu h ASP 37 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1wfu n LEU 38 N -3.25 0.00 -0.60 0.15 7.99 -1.26 0.46 117.00 120.48 1wfu n LEU 38 Ca 0.04 0.95 0.48 0.00 -0.01 0.00 0.00 56.01 57.47 1wfu n LEU 38 Cb 0.59 -0.45 0.78 0.00 -0.11 0.00 0.00 43.42 44.23 1wfu n LEU 38 CO 0.19 -0.45 1.45 -0.33 -1.51 0.00 0.00 177.39 176.74 1wfu h GLU 39 N 0.00 0.00 -1.97 3.23 5.08 -1.94 0.11 114.58 119.09 1wfu h GLU 39 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1wfu h GLU 39 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1wfu h GLU 39 CO 0.00 0.00 -0.09 1.04 -1.00 0.00 0.00 179.01 178.96 1wfu n GLN 40 N -3.90 1.43 0.27 2.33 1.13 0.17 -4.48 117.38 114.33 1wfu n GLN 40 Ca 0.39 -0.51 -0.16 0.00 -1.94 0.00 0.00 57.00 54.79 1wfu n GLN 40 Cb 1.85 -1.41 -0.08 0.00 0.11 0.00 0.00 30.24 30.71 1wfu n GLN 40 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1wfu h LYS 41 N 1.76 -0.63 -6.95 -1.09 1.57 -0.88 -3.44 116.57 106.91 1wfu h LYS 41 Ca 0.09 0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 58.36 1wfu h LYS 41 Cb 1.16 0.14 0.17 0.00 0.08 0.00 0.00 32.23 33.78 1wfu h LYS 41 CO 0.15 -0.38 0.20 -1.91 -0.57 0.00 0.00 179.45 176.94 1wfu n GLU 42 N -5.34 0.75 -3.12 3.15 2.13 -1.26 -4.98 120.64 111.97 1wfu n GLU 42 Ca -0.12 0.31 -0.32 0.00 0.66 0.00 0.00 57.16 57.69 1wfu n GLU 42 Cb 0.29 -2.27 -0.06 0.00 0.27 0.00 0.00 31.44 29.66 1wfu n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wfu s LYS 43 N -3.17 4.00 -0.70 5.31 1.02 -1.26 -4.93 119.74 120.02 1wfu s LYS 43 Ca 0.77 0.68 -0.27 0.00 0.02 0.00 0.00 55.97 57.17 1wfu s LYS 43 Cb -0.37 -2.42 -0.25 0.00 -0.52 0.00 0.00 37.83 34.26 1wfu s LYS 43 CO 0.47 0.14 1.89 2.89 -0.92 0.00 0.00 175.35 179.82 1wfu n ARG 44 N -0.40 0.46 -0.04 1.68 0.00 -1.26 -4.63 116.66 112.47 1wfu n ARG 44 Ca 0.04 -1.60 -0.14 0.00 -0.00 0.00 0.00 57.85 56.14 1wfu n ARG 44 Cb 0.53 -3.31 -0.09 0.00 -0.00 0.00 0.00 32.46 29.60 1wfu n ARG 44 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1wfu h GLN 45 N 10.36 0.30 0.00 2.89 5.75 -2.03 -3.46 115.11 128.92 1wfu h GLN 45 Ca 0.17 -0.20 -0.37 0.00 -0.15 0.00 0.00 58.65 58.10 1wfu h GLN 45 Cb 0.85 0.03 0.16 0.00 1.07 0.00 0.00 27.48 29.59 1wfu h GLN 45 CO 1.51 0.81 0.26 0.41 -2.65 0.00 0.00 178.83 179.16 1wfu n GLY 46 N 0.49 -2.00 3.76 2.39 0.00 -1.26 -5.04 105.19 103.53 1wfu n GLY 46 Ca -0.08 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 -5.42 2.17 0.27 1.61 0.04 -1.26 -4.86 135.00 127.54 1wfu s PRO 47 Ca 0.65 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1wfu s PRO 47 Cb -0.04 -1.89 0.55 0.00 0.04 0.00 0.00 34.50 33.16 1wfu s PRO 47 CO 0.48 -1.70 1.63 0.37 0.04 0.00 0.00 177.00 177.81 1wfu h GLN 48 N -1.17 0.11 -0.79 4.56 4.15 -1.96 0.36 115.11 120.36 1wfu h GLN 48 Ca -0.44 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.08 1wfu h GLN 48 Cb 1.24 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.82 1wfu h GLN 48 CO 0.51 0.07 0.42 1.05 -1.93 0.00 0.00 178.83 178.96 1wfu h GLU 49 N 0.11 0.67 -0.90 1.69 4.11 -2.04 -0.23 114.58 118.00 1wfu h GLU 49 Ca 0.47 -0.04 0.21 0.00 0.07 0.00 0.00 59.36 60.07 1wfu h GLU 49 Cb 0.89 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1wfu h GLU 49 CO -0.71 0.44 0.60 0.37 0.07 0.00 0.00 179.01 179.78 1wfu h GLN 50 N 0.69 0.36 -4.41 1.06 5.75 -0.62 -3.44 115.11 114.51 1wfu h GLN 50 Ca 0.40 -0.02 -0.44 0.00 -0.15 0.00 0.00 58.65 58.44 1wfu h GLN 50 Cb 0.43 -0.08 0.14 0.00 1.07 0.00 0.00 27.48 29.04 1wfu h GLN 50 CO -0.28 0.24 -0.91 0.91 -2.65 0.00 0.00 178.83 176.14 1wfu n TRP 51 N -4.50 -2.32 -3.17 3.99 7.02 -0.10 -4.52 117.44 113.85 1wfu n TRP 51 Ca 0.19 0.29 -0.28 0.00 -1.02 0.00 0.00 57.50 56.69 1wfu n TRP 51 Cb 0.72 -1.22 -0.02 0.00 -2.42 0.00 0.00 31.31 28.36 1wfu n TRP 51 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1wfu s LEU 52 N 3.93 3.96 0.05 -0.99 1.43 -1.26 -4.73 118.68 121.07 1wfu s LEU 52 Ca 0.40 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 1wfu s LEU 52 Cb -0.34 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 1wfu s LEU 52 CO 0.50 -0.29 0.26 -0.60 0.23 0.00 0.00 176.35 176.44 1wfu s ARG 53 N -3.86 3.52 -0.15 1.70 3.52 -1.22 -4.75 118.95 117.70 1wfu s ARG 53 Ca 0.45 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.79 1wfu s ARG 53 Cb -0.10 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 30.32 1wfu s ARG 53 CO 0.33 0.60 0.06 -0.06 -0.81 0.00 0.00 175.30 175.43 1wfu s PHE 54 N -1.44 0.47 -0.12 5.12 0.08 -1.09 -3.08 117.98 117.92 1wfu s PHE 54 Ca 0.32 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.94 1wfu s PHE 54 Cb -0.13 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1wfu s PHE 54 CO 0.22 -0.49 0.01 -1.54 -0.10 0.00 0.00 175.22 173.32 1wfu s SER 55 N 2.04 5.28 -0.19 1.36 1.04 -1.05 -3.41 113.70 118.76 1wfu s SER 55 Ca 0.02 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1wfu s SER 55 Cb -0.16 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.33 1wfu s SER 55 CO -0.08 0.30 -0.17 -0.63 0.98 0.00 0.00 173.24 173.64 1wfu s ILE 56 N -0.40 2.25 0.44 -1.02 -1.09 -0.28 -0.74 121.20 120.37 1wfu s ILE 56 Ca 0.08 -0.94 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1wfu s ILE 56 Cb -0.12 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 1wfu s ILE 56 CO 0.02 0.48 0.27 -1.61 -1.23 0.00 0.00 174.94 172.87 1wfu s GLU 57 N 1.30 2.31 -0.04 2.79 2.02 -1.07 -0.17 118.70 125.84 1wfu s GLU 57 Ca 0.04 -1.82 -0.03 0.00 0.02 0.00 0.00 54.97 53.19 1wfu s GLU 57 Cb -0.14 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 32.02 1wfu s GLU 57 CO -0.11 -0.25 0.10 -1.83 0.02 0.00 0.00 175.26 173.19 1wfu s GLU 58 N -4.04 0.08 0.60 1.61 4.04 0.27 -2.62 118.70 118.64 1wfu s GLU 58 Ca 0.40 0.22 -0.06 0.00 0.04 0.00 0.00 54.97 55.57 1wfu s GLU 58 Cb 0.01 -0.07 0.01 0.00 0.02 0.00 0.00 34.13 34.10 1wfu s GLU 58 CO 0.23 -0.09 0.92 -2.00 -1.84 0.00 0.00 175.26 172.48 1wfu s GLU 59 N 0.58 2.86 -0.06 -4.83 2.12 -1.16 -0.48 118.70 117.73 1wfu s GLU 59 Ca -0.04 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.31 1wfu s GLU 59 Cb -0.06 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.08 1wfu s GLU 59 CO -0.02 -0.76 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.28 1wfu s ASP 60 N -4.32 2.03 0.49 -1.70 1.01 -0.56 -4.72 116.67 108.90 1wfu s ASP 60 Ca 0.55 -0.34 0.28 0.00 0.71 0.00 0.00 52.55 53.74 1wfu s ASP 60 Cb -0.11 -0.78 1.17 0.00 1.01 0.00 0.00 42.92 44.22 1wfu s ASP 60 CO 0.45 0.09 1.93 1.55 0.21 0.00 0.00 175.17 179.40 1wfu h PRO 61 N 6.64 0.00 0.00 8.23 0.13 -1.97 0.72 132.00 145.75 1wfu h PRO 61 Ca -0.30 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.42 1wfu h PRO 61 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1wfu h PRO 61 CO 0.48 0.14 -2.42 0.36 -0.23 0.00 0.00 178.00 176.32 1wfu n LYS 62 N -3.34 0.58 0.15 0.86 2.85 -1.26 -4.51 118.16 113.48 1wfu n LYS 62 Ca -0.00 0.20 0.03 0.00 -1.05 0.00 0.00 58.31 57.49 1wfu n LYS 62 Cb 0.35 -1.45 0.05 0.00 -0.65 0.00 0.00 35.03 33.33 1wfu n LYS 62 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1wfu h MET 63 N -0.52 0.00 -5.15 -1.58 2.86 -1.98 -3.47 114.93 105.10 1wfu h MET 63 Ca -0.61 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.62 1wfu h MET 63 Cb 1.70 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.39 1wfu h MET 63 CO -0.26 0.46 -0.63 0.72 1.06 0.00 0.00 176.91 178.26 1wfu n HIS 64 N -3.22 -2.14 -4.11 -0.22 8.25 0.25 -4.94 115.22 109.09 1wfu n HIS 64 Ca 0.02 0.65 -0.09 0.00 -0.26 0.00 0.00 57.72 58.04 1wfu n HIS 64 Cb 0.71 -4.22 -0.10 0.00 1.12 0.00 0.00 29.99 27.50 1wfu n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wfu s SER 65 N -2.89 0.77 0.28 0.41 0.15 -1.25 -4.84 113.70 106.33 1wfu s SER 65 Ca 0.42 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 1wfu s SER 65 Cb -0.20 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1wfu s SER 65 CO 0.52 -0.48 0.49 -0.31 1.20 0.00 0.00 173.24 174.65 1wfu s TYR 66 N -3.35 3.49 -0.15 3.44 1.51 -1.26 -1.50 117.35 119.54 1wfu s TYR 66 Ca 0.05 0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 56.42 1wfu s TYR 66 Cb 0.04 -1.90 0.06 0.00 -0.11 0.00 0.00 41.96 40.05 1wfu s TYR 66 CO -0.06 0.23 0.34 0.20 -1.11 0.00 0.00 175.55 175.16 1wfu s GLY 67 N -3.59 -0.25 -0.61 0.71 0.00 0.37 -4.84 107.32 99.12 1wfu s GLY 67 Ca 0.40 1.28 -0.26 0.00 0.00 0.00 0.00 44.72 46.14 1wfu s GLY 67 CO 0.32 1.81 2.34 0.14 0.00 0.00 0.00 173.10 177.71 1wfu s VAL 68 N 1.85 3.06 0.15 1.40 1.01 -1.26 -0.56 120.40 126.04 1wfu s VAL 68 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1wfu s VAL 68 Cb -0.10 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 33.00 1wfu s VAL 68 CO -0.11 -0.13 1.38 0.16 0.00 0.00 0.00 175.10 176.40 1wfu h ILE 69 N 7.61 1.59 -3.54 2.22 3.07 -0.86 -3.46 117.51 124.13 1wfu h ILE 69 Ca -0.16 -2.99 -0.18 0.00 1.55 0.00 0.00 64.86 63.08 1wfu h ILE 69 Cb 1.17 2.63 -0.25 0.00 -0.27 0.00 0.00 36.82 40.10 1wfu h ILE 69 CO 1.12 0.85 -0.58 -0.47 -1.05 0.00 0.00 178.15 178.02 1wfu s TYR 70 N -2.98 -0.03 -0.21 0.16 5.04 -0.71 -5.03 117.35 113.58 1wfu s TYR 70 Ca 0.01 0.09 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 1wfu s TYR 70 Cb 0.11 -0.01 0.11 0.00 0.35 0.00 0.00 41.96 42.52 1wfu s TYR 70 CO 0.80 -0.13 0.37 -0.08 -1.34 0.00 0.00 175.55 175.17 1wfu s THR 71 N -0.47 -0.58 0.00 4.34 -1.32 -1.26 -1.13 115.64 115.22 1wfu s THR 71 Ca -0.05 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1wfu s THR 71 Cb -0.04 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1wfu s THR 71 CO 0.00 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1wfu n GLY 72 N 5.37 2.25 0.55 6.08 0.00 -1.22 -5.04 105.19 113.17 1wfu n GLY 72 Ca -0.05 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.94 1.61 4.02 -1.26 -2.69 117.16 115.90 1wfu n TYR 73 Ca 0.00 -0.98 -0.19 0.00 -0.01 0.00 0.00 57.90 56.72 1wfu n TYR 73 Cb 0.00 -0.17 0.04 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 -2.20 4.46 -0.13 -0.72 0.00 -1.26 -4.95 121.76 116.96 1wfu s ALA 74 Ca 0.30 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1wfu s ALA 74 Cb 0.29 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.66 1wfu s ALA 74 CO -0.04 -0.63 -0.09 0.25 0.00 0.00 0.00 175.76 175.25 1wfu n THR 75 N -2.12 0.79 -3.07 0.00 -2.24 -1.26 -4.76 114.28 101.63 1wfu n THR 75 Ca 0.11 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1wfu n THR 75 Cb 0.60 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.28 3.74 -0.30 -0.78 3.52 -1.26 -2.23 118.95 119.36 1wfu s ARG 76 Ca -0.16 0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.63 1wfu s ARG 76 Cb 0.04 -2.49 0.15 0.00 -1.56 0.00 0.00 34.95 31.09 1wfu s ARG 76 CO 0.35 0.08 0.82 -1.58 -0.81 0.00 0.00 175.30 174.17 1wfu s HIS 77 N -2.22 -0.99 -0.42 5.12 2.46 0.24 -4.96 115.29 114.52 1wfu s HIS 77 Ca 0.49 1.74 -0.08 0.00 0.47 0.00 0.00 55.06 57.67 1wfu s HIS 77 Cb -0.10 0.60 0.09 0.00 -0.13 0.00 0.00 32.58 33.03 1wfu s HIS 77 CO 0.29 -0.49 0.26 0.08 -2.47 0.00 0.00 174.74 172.41 1wfu s VAL 78 N 2.60 4.11 -0.31 0.89 1.01 -1.26 -0.29 120.40 127.15 1wfu s VAL 78 Ca -0.05 -1.52 -0.28 0.00 0.00 0.00 0.00 61.98 60.14 1wfu s VAL 78 Cb -0.09 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wfu s VAL 78 CO -0.18 -0.56 2.16 -0.69 0.00 0.00 0.00 175.10 175.83 1wfu s VAL 79 N 1.39 3.11 0.54 2.92 1.01 0.35 -4.79 120.40 124.93 1wfu s VAL 79 Ca 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1wfu s VAL 79 Cb -0.23 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wfu s VAL 79 CO 0.01 -0.12 0.83 -1.61 0.00 0.00 0.00 175.10 174.21 1wfu s GLU 80 N 6.60 3.07 -0.63 2.72 2.02 -1.26 -1.92 118.70 129.30 1wfu s GLU 80 Ca 0.95 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.86 1wfu s GLU 80 Cb -0.27 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 1wfu s GLU 80 CO 0.33 -0.52 0.58 0.41 0.02 0.00 0.00 175.26 176.08 1wfu n GLY 81 N -2.42 -0.91 3.34 -1.39 0.00 -1.22 -4.99 105.19 97.61 1wfu n GLY 81 Ca 0.03 0.33 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.89 2.53 0.10 0.99 1.43 -0.20 -5.01 118.68 114.63 1wfu s LEU 82 Ca 0.10 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 1wfu s LEU 82 Cb -0.01 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1wfu s LEU 82 CO 0.57 -0.15 0.20 -1.61 0.23 0.00 0.00 176.35 175.59 1wfu s GLU 83 N -3.47 3.28 0.30 1.70 0.41 -1.26 -4.38 118.70 115.27 1wfu s GLU 83 Ca 0.21 -0.58 -0.29 0.00 -0.41 0.00 0.00 54.97 53.90 1wfu s GLU 83 Cb -0.02 -2.92 -0.10 0.00 -1.78 0.00 0.00 34.13 29.32 1wfu s GLU 83 CO 0.07 0.56 1.24 -1.25 -0.49 0.00 0.00 175.26 175.38 1wfu s PRO 84 N -2.78 4.46 -1.31 0.39 0.04 -1.12 -3.43 135.00 131.25 1wfu s PRO 84 Ca 0.33 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 1wfu s PRO 84 Cb -0.12 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1wfu s PRO 84 CO 0.27 -0.06 0.84 0.54 0.04 0.00 0.00 177.00 178.63 1wfu n ARG 85 N 1.18 -5.65 -4.52 4.56 5.12 -0.97 -4.95 116.66 111.43 1wfu n ARG 85 Ca 0.00 0.69 -0.21 0.00 -1.93 0.00 0.00 57.85 56.41 1wfu n ARG 85 Cb 0.43 -5.44 -0.15 0.00 -1.16 0.00 0.00 32.46 26.13 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 -3.52 0.94 0.24 0.55 2.01 -1.22 -4.91 115.64 109.73 1wfu s THR 86 Ca 0.12 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1wfu s THR 86 Cb -0.06 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1wfu s THR 86 CO 0.79 0.27 0.81 -0.22 -0.69 0.00 0.00 174.62 175.58 1wfu s LEU 87 N -0.14 4.39 -0.14 4.42 1.98 -1.26 -1.54 118.68 126.39 1wfu s LEU 87 Ca 0.02 1.60 -0.04 0.00 -2.89 0.00 0.00 54.13 52.82 1wfu s LEU 87 Cb -0.06 -3.67 0.06 0.00 0.66 0.00 0.00 46.19 43.18 1wfu s LEU 87 CO -0.00 0.04 0.14 -0.31 -1.89 0.00 0.00 176.35 174.33 1wfu s TYR 88 N -1.48 -0.06 0.07 5.38 2.02 0.43 -4.93 117.35 118.78 1wfu s TYR 88 Ca 0.44 0.15 -0.20 0.00 -0.37 0.00 0.00 57.07 57.08 1wfu s TYR 88 Cb -0.19 -0.46 -0.07 0.00 -0.40 0.00 0.00 41.96 40.85 1wfu s TYR 88 CO 0.23 -0.44 0.60 0.15 -1.57 0.00 0.00 175.55 174.52 1wfu s LYS 89 N 2.24 4.27 -0.03 -0.62 1.02 -1.26 -1.73 119.74 123.62 1wfu s LYS 89 Ca 0.04 0.79 -0.01 0.00 0.02 0.00 0.00 55.97 56.81 1wfu s LYS 89 Cb -0.14 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1wfu s LYS 89 CO -0.08 0.58 0.06 -0.06 -0.92 0.00 0.00 175.35 174.92 1wfu s PHE 90 N -0.92 -0.02 -0.17 3.18 0.08 -0.88 -2.97 117.98 116.28 1wfu s PHE 90 Ca 0.30 0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.52 1wfu s PHE 90 Cb -0.20 -0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1wfu s PHE 90 CO 0.19 -0.10 -0.03 -0.98 -0.10 0.00 0.00 175.22 174.20 1wfu s ARG 91 N 0.95 3.63 -0.11 0.44 1.70 -1.08 -1.74 118.95 122.75 1wfu s ARG 91 Ca -0.08 -0.53 -0.18 0.00 -0.47 0.00 0.00 55.73 54.46 1wfu s ARG 91 Cb -0.11 -2.94 -0.04 0.00 -0.57 0.00 0.00 34.95 31.29 1wfu s ARG 91 CO -0.03 0.18 0.49 -1.17 -1.08 0.00 0.00 175.30 173.68 1wfu s LEU 92 N 0.54 4.29 0.19 -1.89 2.96 -1.26 -2.59 118.68 120.92 1wfu s LEU 92 Ca -0.03 0.85 0.09 0.00 -0.22 0.00 0.00 54.13 54.83 1wfu s LEU 92 Cb -0.14 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1wfu s LEU 92 CO 0.03 0.01 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.20 1wfu s LYS 93 N 0.55 1.99 -0.09 1.98 2.20 0.09 0.66 119.74 127.11 1wfu s LYS 93 Ca 0.27 -1.34 -0.08 0.00 -0.36 0.00 0.00 55.97 54.46 1wfu s LYS 93 Cb -0.15 -2.10 0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1wfu s LYS 93 CO 0.11 0.42 0.25 0.14 -0.36 0.00 0.00 175.35 175.91 1wfu s VAL 94 N -1.78 -0.00 -0.13 4.02 -7.23 -1.11 -2.54 120.40 111.63 1wfu s VAL 94 Ca 0.25 0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.42 1wfu s VAL 94 Cb -0.08 -0.35 0.04 0.00 0.56 0.00 0.00 36.38 36.55 1wfu s VAL 94 CO 0.15 0.01 0.00 -0.89 -0.31 0.00 0.00 175.10 174.05 1wfu s THR 95 N 0.24 0.55 0.89 5.32 2.01 -1.18 -1.36 115.64 122.12 1wfu s THR 95 Ca -0.01 -0.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1wfu s THR 95 Cb -0.03 -0.82 0.13 0.00 0.01 0.00 0.00 72.50 71.80 1wfu s THR 95 CO -0.01 0.10 1.16 -0.44 -0.69 0.00 0.00 174.62 174.74 1wfu s SER 96 N 1.88 3.08 0.00 3.53 0.01 0.26 -3.42 113.70 119.03 1wfu s SER 96 Ca 0.03 2.22 0.12 0.00 1.31 0.00 0.00 55.95 59.63 1wfu s SER 96 Cb -0.14 -2.57 0.74 0.00 0.21 0.00 0.00 66.02 64.26 1wfu s SER 96 CO -0.07 -3.00 1.17 -0.81 0.41 0.00 0.00 173.24 170.94 1wfu n PRO 97 N -4.03 0.49 -0.08 12.44 -0.04 -1.26 -2.48 135.00 140.04 1wfu n PRO 97 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1wfu n PRO 97 Cb 0.52 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 1wfu n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfu n SER 98 N -0.90 2.04 0.00 3.54 7.64 -1.26 -5.03 113.62 119.65 1wfu n SER 98 Ca 0.09 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wfu n SER 98 Cb 0.04 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 99 N 2.36 2.19 3.56 0.23 0.00 -1.04 -5.14 105.19 107.36 1wfu n GLY 99 Ca -0.26 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1wfu n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfu n GLU 100 N 0.00 1.01 -3.57 1.61 1.02 -1.26 -4.63 120.64 114.83 1wfu n GLU 100 Ca 0.00 0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 57.34 1wfu n GLU 100 Cb 0.00 -1.92 -0.07 0.00 -0.02 0.00 0.00 31.44 29.44 1wfu n GLU 100 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1wfu s TYR 101 N -1.41 -0.61 0.23 -0.32 -0.85 -1.26 0.89 117.35 114.02 1wfu s TYR 101 Ca 0.66 1.10 0.04 0.00 -0.52 0.00 0.00 57.07 58.34 1wfu s TYR 101 Cb -0.53 0.35 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 1wfu s TYR 101 CO 0.55 -0.55 0.23 0.39 -1.52 0.00 0.00 175.55 174.65 1wfu n GLU 102 N 1.17 0.34 -4.24 -3.49 -0.58 -0.46 -4.94 120.64 108.43 1wfu n GLU 102 Ca -0.19 -2.18 -0.17 0.00 -0.42 0.00 0.00 57.16 54.20 1wfu n GLU 102 Cb 0.57 1.87 -0.13 0.00 -0.57 0.00 0.00 31.44 33.17 1wfu n GLU 102 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1wfu s TYR 103 N -3.10 0.94 0.40 -0.32 2.02 -1.26 -2.75 117.35 113.28 1wfu s TYR 103 Ca 0.25 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1wfu s TYR 103 Cb 0.01 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1wfu s TYR 103 CO 0.18 -0.00 0.62 -1.54 -1.57 0.00 0.00 175.55 173.24 1wfu s SER 104 N -1.08 6.14 -0.16 2.29 1.04 0.21 -4.10 113.70 118.05 1wfu s SER 104 Ca -0.02 0.48 -0.29 0.00 0.48 0.00 0.00 55.95 56.60 1wfu s SER 104 Cb -0.07 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 1wfu s SER 104 CO 0.01 -0.47 1.56 -2.16 0.98 0.00 0.00 173.24 173.16 1wfu s PRO 105 N -4.46 4.00 -0.02 4.02 0.04 -1.26 -4.40 135.00 132.92 1wfu s PRO 105 Ca 0.44 1.83 -0.40 0.00 0.04 0.00 0.00 61.00 62.91 1wfu s PRO 105 Cb -0.10 -3.97 -0.20 0.00 0.04 0.00 0.00 34.50 30.27 1wfu s PRO 105 CO 0.38 -1.04 1.11 1.55 0.04 0.00 0.00 177.00 179.04 1wfu n VAL 106 N 5.91 0.00 -3.92 -0.36 3.14 -1.26 -4.76 118.33 117.08 1wfu n VAL 106 Ca 0.17 -0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.21 1wfu n VAL 106 Cb 0.44 -0.05 -0.14 0.00 -1.06 0.00 0.00 33.84 33.03 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 0.17 2.86 -0.29 1.55 -7.23 -0.71 -4.90 120.40 111.84 1wfu s VAL 107 Ca 0.91 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 59.24 1wfu s VAL 107 Cb -1.27 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 32.91 1wfu s VAL 107 CO 0.58 -0.25 0.69 -0.94 -0.31 0.00 0.00 175.10 174.87 1wfu s SER 108 N 1.30 6.58 -0.05 4.85 1.04 -1.26 -2.06 113.70 124.09 1wfu s SER 108 Ca -0.02 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.04 1wfu s SER 108 Cb -0.20 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1wfu s SER 108 CO -0.03 -0.50 -0.16 0.68 0.98 0.00 0.00 173.24 174.21 1wfu s VAL 109 N 2.70 1.38 -0.20 5.02 -7.23 -0.71 -4.87 120.40 116.49 1wfu s VAL 109 Ca 0.28 -0.66 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 1wfu s VAL 109 Cb -0.15 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 1wfu s VAL 109 CO 0.11 0.40 0.13 0.00 -0.31 0.00 0.00 175.10 175.43 1wfu s ALA 110 N 0.24 3.69 1.18 1.32 0.00 -1.26 -0.43 121.76 126.51 1wfu s ALA 110 Ca -0.08 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1wfu s ALA 110 Cb -0.13 -2.17 0.17 0.00 0.00 0.00 0.00 23.12 20.99 1wfu s ALA 110 CO 0.03 0.16 0.48 0.25 0.00 0.00 0.00 175.76 176.68 1wfu n THR 111 N 3.53 0.00 -3.18 0.00 -2.24 -0.59 -4.87 114.28 106.93 1wfu n THR 111 Ca -0.16 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.31 1wfu n THR 111 Cb 0.52 -0.79 0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1wfu n THR 111 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wfu s THR 112 N -1.75 2.60 0.39 4.28 -4.23 -1.24 -4.04 115.64 111.65 1wfu s THR 112 Ca 0.34 -1.10 -0.24 0.00 -1.18 0.00 0.00 61.69 59.51 1wfu s THR 112 Cb -0.05 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 71.01 1wfu s THR 112 CO 0.27 0.00 1.02 0.00 -0.54 0.00 0.00 174.62 175.37 1wfu s ARG 113 N -4.40 4.23 -0.16 3.99 1.04 -1.26 -2.30 118.95 120.08 1wfu s ARG 113 Ca 0.54 1.42 -0.02 0.00 -1.04 0.00 0.00 55.73 56.64 1wfu s ARG 113 Cb -0.07 -2.52 -0.23 0.00 -2.04 0.00 0.00 34.95 30.09 1wfu s ARG 113 CO 0.33 -0.07 0.18 -0.85 -0.04 0.00 0.00 175.30 174.85 1wfu n GLU 114 N -0.07 0.71 -0.28 3.89 0.28 -1.26 -4.30 120.64 119.61 1wfu n GLU 114 Ca 0.05 0.22 0.24 0.00 -0.16 0.00 0.00 57.16 57.50 1wfu n GLU 114 Cb 0.50 -1.64 0.44 0.00 1.43 0.00 0.00 31.44 32.17 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 -3.35 0.20 0.00 -1.84 3.41 -1.26 -4.71 113.62 106.07 1wfu n SER 115 Ca -0.36 1.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1wfu n SER 115 Cb 1.03 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1wfu n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfu n GLY 116 N -1.27 0.77 3.63 5.00 0.00 -1.26 -4.61 105.19 107.45 1wfu n GLY 116 Ca 0.29 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1wfu n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 117 N 0.00 -0.50 0.07 1.61 0.04 -1.26 -5.09 135.00 129.87 1wfu s PRO 117 Ca 0.00 0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.26 1wfu s PRO 117 Cb 0.00 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 1wfu s PRO 117 CO 0.00 -3.28 -0.07 0.45 0.04 0.00 0.00 177.00 174.13 1wfu s SER 118 N -3.68 1.03 0.05 6.66 0.15 -1.26 -5.17 113.70 111.49 1wfu s SER 118 Ca 0.68 -0.79 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1wfu s SER 118 Cb -0.14 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1wfu s SER 118 CO 0.57 -0.33 -0.07 -0.55 1.20 0.00 0.00 173.24 174.05 1wfu s SER 119 N -2.34 0.90 0.00 5.45 0.15 -1.26 -5.32 113.70 111.28 1wfu s SER 119 Ca 0.02 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1wfu s SER 119 Cb -0.02 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1wfu s SER 119 CO -0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.75