#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 0.14 -0.07 1.61 0.01 -1.26 -5.15 113.70 108.98 1wfu s SER 2 Ca 0.00 0.49 -0.23 0.00 1.31 0.00 0.00 55.95 57.51 1wfu s SER 2 Cb 0.00 0.46 0.05 0.00 0.21 0.00 0.00 66.02 66.74 1wfu s SER 2 CO 0.00 -0.20 0.54 -0.94 0.41 0.00 0.00 173.24 173.04 1wfu s SER 3 N 1.83 -0.49 0.00 2.44 1.04 -1.26 -5.16 113.70 112.09 1wfu s SER 3 Ca -0.04 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1wfu s SER 3 Cb -0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1wfu s SER 3 CO -0.08 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1wfu n GLY 4 N 1.44 4.53 3.41 7.32 0.00 -1.26 -5.16 105.19 115.48 1wfu n GLY 4 Ca -0.19 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 1wfu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfu s SER 5 N 0.00 3.03 -0.20 1.61 1.04 -1.26 -5.14 113.70 112.78 1wfu s SER 5 Ca 0.00 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.39 1wfu s SER 5 Cb 0.00 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.93 1wfu s SER 5 CO 0.00 -0.10 -0.16 -0.55 0.98 0.00 0.00 173.24 173.41 1wfu s SER 6 N -3.41 3.58 0.00 7.02 0.15 -1.26 -4.90 113.70 114.88 1wfu s SER 6 Ca 0.26 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1wfu s SER 6 Cb -0.02 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1wfu s SER 6 CO 0.11 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wfu n GLY 7 N 4.61 0.07 3.13 9.45 0.00 -1.26 -5.11 105.19 116.09 1wfu n GLY 7 Ca -0.19 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1wfu n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wfu s MET 8 N 0.00 2.73 0.07 1.61 0.00 -1.26 -5.06 119.30 117.39 1wfu s MET 8 Ca 0.00 -2.52 0.08 0.00 0.00 0.00 0.00 55.69 53.24 1wfu s MET 8 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 34.83 30.96 1wfu s MET 8 CO 0.00 -1.19 -0.21 -1.21 0.00 0.00 0.00 175.02 172.41 1wfu s GLU 9 N -0.04 1.25 0.90 4.11 0.41 -1.26 -5.14 118.70 118.93 1wfu s GLU 9 Ca 0.17 -1.05 -0.12 0.00 -0.41 0.00 0.00 54.97 53.57 1wfu s GLU 9 Cb -0.19 -1.44 0.13 0.00 -1.78 0.00 0.00 34.13 30.86 1wfu s GLU 9 CO -0.04 0.35 1.09 -1.25 -0.49 0.00 0.00 175.26 174.92 1wfu s PRO 10 N -1.54 1.22 0.70 0.39 0.04 -1.26 -5.03 135.00 129.53 1wfu s PRO 10 Ca 0.07 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 1wfu s PRO 10 Cb -0.09 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.81 1wfu s PRO 10 CO 0.03 -2.26 0.39 -2.39 0.04 0.00 0.00 177.00 172.81 1wfu n HIS 11 N -3.89 -2.65 -0.26 0.56 1.44 -1.26 -4.68 115.22 104.49 1wfu n HIS 11 Ca 0.07 -0.33 0.24 0.00 -2.01 0.00 0.00 57.72 55.70 1wfu n HIS 11 Cb 0.55 -0.66 0.44 0.00 0.12 0.00 0.00 29.99 30.44 1wfu n HIS 11 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1wfu n LYS 12 N -3.28 -0.04 -4.30 -1.40 2.85 -1.26 -4.20 118.16 106.53 1wfu n LYS 12 Ca 0.06 0.96 -0.20 0.00 -1.05 0.00 0.00 58.31 58.08 1wfu n LYS 12 Cb 0.27 -1.76 -0.13 0.00 -0.65 0.00 0.00 35.03 32.76 1wfu n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wfu s VAL 13 N -5.00 1.16 -0.17 0.58 0.11 -1.26 -5.12 120.40 110.69 1wfu s VAL 13 Ca -0.06 -1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 57.57 1wfu s VAL 13 Cb 0.24 -1.07 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1wfu s VAL 13 CO 0.56 -0.06 0.99 0.54 -3.33 0.00 0.00 175.10 173.80 1wfu s VAL 14 N -1.00 4.75 0.94 2.04 0.11 -1.26 -4.92 120.40 121.06 1wfu s VAL 14 Ca 0.01 1.97 -0.12 0.00 -2.93 0.00 0.00 61.98 60.91 1wfu s VAL 14 Cb -0.09 -4.28 0.15 0.00 -1.53 0.00 0.00 36.38 30.63 1wfu s VAL 14 CO 0.02 -0.08 1.09 -2.16 -3.33 0.00 0.00 175.10 170.64 1wfu s PRO 15 N 2.59 0.93 1.07 1.54 0.04 -1.26 -5.03 135.00 134.88 1wfu s PRO 15 Ca 0.45 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 1wfu s PRO 15 Cb -0.16 -1.78 0.23 0.00 0.04 0.00 0.00 34.50 32.82 1wfu s PRO 15 CO 0.12 -2.43 1.07 -0.48 0.04 0.00 0.00 177.00 175.31 1wfu s LEU 16 N -6.31 1.29 0.53 -3.56 2.34 -1.26 -5.03 118.68 106.68 1wfu s LEU 16 Ca 0.64 1.32 -0.06 0.00 0.06 0.00 0.00 54.13 56.09 1wfu s LEU 16 Cb -0.18 -3.39 -0.02 0.00 -0.56 0.00 0.00 46.19 42.04 1wfu s LEU 16 CO 0.57 -3.57 0.85 -0.44 -1.06 0.00 0.00 176.35 172.70 1wfu s SER 17 N -3.09 6.01 0.28 1.48 0.01 -1.26 -4.93 113.70 112.20 1wfu s SER 17 Ca 0.67 0.89 -0.30 0.00 1.31 0.00 0.00 55.95 58.52 1wfu s SER 17 Cb -0.21 -2.06 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 1wfu s SER 17 CO 0.60 -0.78 1.42 -0.54 0.41 0.00 0.00 173.24 174.35 1wfu s LYS 18 N -4.87 4.27 0.52 12.44 1.02 -1.26 -4.79 119.74 127.06 1wfu s LYS 18 Ca 0.50 2.32 -0.20 0.00 0.02 0.00 0.00 55.97 58.61 1wfu s LYS 18 Cb -0.10 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 34.06 1wfu s LYS 18 CO 0.46 -0.38 1.14 -1.25 -0.92 0.00 0.00 175.35 174.39 1wfu s PRO 19 N -0.86 3.46 0.58 -1.68 0.04 -1.25 -4.98 135.00 130.30 1wfu s PRO 19 Ca 0.56 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 1wfu s PRO 19 Cb -0.42 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 1wfu s PRO 19 CO 0.47 -0.77 1.02 -1.01 0.04 0.00 0.00 177.00 176.75 1wfu s HIS 20 N -1.71 3.45 0.33 0.56 3.76 -1.26 -4.10 115.29 116.31 1wfu s HIS 20 Ca 0.70 1.40 -0.28 0.00 -0.15 0.00 0.00 55.06 56.73 1wfu s HIS 20 Cb -0.25 -2.79 -0.10 0.00 1.11 0.00 0.00 32.58 30.55 1wfu s HIS 20 CO 0.29 -0.64 1.22 -1.25 -0.85 0.00 0.00 174.74 173.51 1wfu s PRO 21 N -4.60 4.40 0.32 8.40 0.04 -1.26 -4.85 135.00 137.46 1wfu s PRO 21 Ca 0.58 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.36 1wfu s PRO 21 Cb -0.11 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 1wfu s PRO 21 CO 0.43 -0.08 1.22 -1.25 0.04 0.00 0.00 177.00 177.36 1wfu s PRO 22 N -1.76 4.41 0.42 0.56 0.04 -1.26 -4.98 135.00 132.43 1wfu s PRO 22 Ca 0.49 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 1wfu s PRO 22 Cb -0.36 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1wfu s PRO 22 CO 0.47 -0.07 0.89 0.08 0.04 0.00 0.00 177.00 178.41 1wfu s VAL 23 N -1.18 4.53 -0.44 -0.36 1.01 -0.97 -4.86 120.40 118.12 1wfu s VAL 23 Ca 0.48 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1wfu s VAL 23 Cb -0.36 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.49 1wfu s VAL 23 CO 0.47 -0.40 0.21 -0.69 0.00 0.00 0.00 175.10 174.69 1wfu s VAL 24 N -2.27 3.04 0.00 2.92 1.01 -1.26 -1.64 120.40 122.20 1wfu s VAL 24 Ca 0.58 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1wfu s VAL 24 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1wfu s VAL 24 CO 0.20 -0.71 0.16 0.61 0.00 0.00 0.00 175.10 175.36 1wfu n GLY 25 N 4.16 0.23 3.77 4.51 0.00 -1.25 -4.85 105.19 111.77 1wfu n GLY 25 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 4.39 -0.31 1.61 2.20 -1.26 -4.97 119.74 121.04 1wfu s LYS 26 Ca 0.00 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1wfu s LYS 26 Cb 0.00 -3.31 0.09 0.00 -1.51 0.00 0.00 37.83 33.11 1wfu s LYS 26 CO 0.00 0.45 0.06 0.08 -0.36 0.00 0.00 175.35 175.58 1wfu s VAL 27 N -0.55 1.43 0.14 4.02 1.01 -1.26 -0.45 120.40 124.73 1wfu s VAL 27 Ca 0.34 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.66 1wfu s VAL 27 Cb -0.20 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1wfu s VAL 27 CO 0.21 -0.57 0.21 0.42 0.00 0.00 0.00 175.10 175.37 1wfu s THR 28 N 1.35 4.99 -2.00 3.92 -4.23 -0.65 -4.39 115.64 114.63 1wfu s THR 28 Ca 0.08 -0.78 0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1wfu s THR 28 Cb -0.18 -3.53 0.38 0.00 1.34 0.00 0.00 72.50 70.51 1wfu s THR 28 CO -0.17 -0.05 1.32 0.00 -0.54 0.00 0.00 174.62 175.19 1wfu n HIS 29 N -0.29 0.00 0.00 3.99 1.44 -1.26 -2.54 115.22 116.57 1wfu n HIS 29 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 1wfu n HIS 29 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.79 0.00 -3.87 -1.40 -0.00 -1.26 -2.78 115.22 105.11 1wfu n HIS 30 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.73 1wfu n HIS 30 Cb 0.05 0.00 0.00 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 -1.42 0.08 -0.04 4.39 0.01 -1.05 0.18 113.70 115.86 1wfu s SER 31 Ca 0.00 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.17 1wfu s SER 31 Cb 0.00 0.78 0.03 0.00 0.21 0.00 0.00 66.02 67.04 1wfu s SER 31 CO 0.00 -1.53 0.02 -0.63 0.41 0.00 0.00 173.24 171.51 1wfu s ILE 32 N -2.84 0.08 0.28 1.44 1.01 -0.40 -1.64 121.20 119.14 1wfu s ILE 32 Ca 0.17 0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 1wfu s ILE 32 Cb -0.04 -0.24 -0.09 0.00 0.01 0.00 0.00 42.46 42.09 1wfu s ILE 32 CO 0.12 0.16 0.93 -0.70 0.00 0.00 0.00 174.94 175.45 1wfu s GLU 33 N 1.48 4.68 -0.07 2.79 2.12 0.40 -1.15 118.70 128.96 1wfu s GLU 33 Ca -0.03 1.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.61 1wfu s GLU 33 Cb -0.13 -3.00 0.02 0.00 0.26 0.00 0.00 34.13 31.29 1wfu s GLU 33 CO -0.03 0.38 0.18 -0.51 -0.54 0.00 0.00 175.26 174.74 1wfu s LEU 34 N -1.70 1.21 -0.20 2.70 1.43 0.28 -3.75 118.68 118.66 1wfu s LEU 34 Ca 0.46 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.85 1wfu s LEU 34 Cb -0.21 0.59 0.09 0.00 0.03 0.00 0.00 46.19 46.68 1wfu s LEU 34 CO 0.27 -0.08 0.43 -0.72 0.23 0.00 0.00 176.35 176.48 1wfu s TYR 35 N 0.27 -0.78 -0.18 0.29 -0.85 -0.65 0.31 117.35 115.75 1wfu s TYR 35 Ca -0.01 1.52 0.13 0.00 -0.52 0.00 0.00 57.07 58.18 1wfu s TYR 35 Cb -0.03 0.32 0.42 0.00 0.38 0.00 0.00 41.96 43.05 1wfu s TYR 35 CO -0.01 -0.46 1.21 -2.67 -1.52 0.00 0.00 175.55 172.10 1wfu n TRP 36 N 5.18 0.05 -0.55 -3.49 2.14 0.57 -2.30 117.44 119.04 1wfu n TRP 36 Ca -0.11 -1.39 -0.03 0.00 2.07 0.00 0.00 57.50 58.04 1wfu n TRP 36 Cb 0.51 -0.24 -0.04 0.00 -0.81 0.00 0.00 31.31 30.72 1wfu n TRP 36 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1wfu n ASP 37 N -0.90 4.47 -0.02 -0.67 2.03 -1.25 -3.32 116.55 116.89 1wfu n ASP 37 Ca 0.18 -2.23 -0.02 0.00 0.52 0.00 0.00 54.79 53.24 1wfu n ASP 37 Cb 0.75 -1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1wfu n ASP 37 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wfu n LEU 38 N 1.89 1.02 0.00 -2.67 4.77 -1.26 -4.59 117.00 116.16 1wfu n LEU 38 Ca 0.11 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1wfu n LEU 38 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1wfu n LEU 38 CO 0.04 0.24 0.21 -1.84 -1.33 0.00 0.00 177.39 174.71 1wfu n GLU 39 N -2.28 0.00 -0.32 3.23 0.00 -1.21 -3.74 120.64 116.32 1wfu n GLU 39 Ca -0.05 0.13 0.10 0.00 0.00 0.00 0.00 57.16 57.34 1wfu n GLU 39 Cb 0.58 -0.96 0.21 0.00 0.00 0.00 0.00 31.44 31.28 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wfu n GLN 40 N -0.88 -0.08 -2.91 3.44 0.00 -1.26 -4.66 117.38 111.03 1wfu n GLN 40 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 57.00 58.38 1wfu n GLN 40 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.09 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 -5.39 -0.98 -4.11 2.61 5.02 -1.25 -4.81 118.16 109.25 1wfu n LYS 41 Ca 0.19 -0.23 -0.15 0.00 -2.02 0.00 0.00 58.31 56.10 1wfu n LYS 41 Cb 0.61 0.42 -0.12 0.00 -0.02 0.00 0.00 35.03 35.91 1wfu n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wfu s GLU 42 N -3.72 0.59 0.19 1.97 2.12 -1.26 -5.13 118.70 113.47 1wfu s GLU 42 Ca 0.00 -0.73 -0.31 0.00 0.36 0.00 0.00 54.97 54.30 1wfu s GLU 42 Cb 0.00 -0.44 -0.09 0.00 0.26 0.00 0.00 34.13 33.86 1wfu s GLU 42 CO 0.00 0.09 1.43 -1.59 -0.54 0.00 0.00 175.26 174.65 1wfu s LYS 43 N -1.42 4.29 0.00 4.30 -2.85 -1.26 -4.88 119.74 117.92 1wfu s LYS 43 Ca -0.07 2.22 0.20 0.00 -1.00 0.00 0.00 55.97 57.32 1wfu s LYS 43 Cb -0.09 -3.17 0.95 0.00 -2.06 0.00 0.00 37.83 33.46 1wfu s LYS 43 CO 0.01 -0.43 1.64 2.89 0.10 0.00 0.00 175.35 179.55 1wfu n ARG 44 N 3.11 0.17 -1.23 1.78 -4.01 -1.26 -4.83 116.66 110.39 1wfu n ARG 44 Ca 0.09 0.12 -0.37 0.00 -1.04 0.00 0.00 57.85 56.66 1wfu n ARG 44 Cb 0.41 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.21 1wfu n ARG 44 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 1wfu n GLN 45 N -1.38 0.00 0.00 2.89 1.13 -1.26 -4.51 117.38 114.25 1wfu n GLN 45 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1wfu n GLN 45 Cb 0.19 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wfu n GLY 46 N 5.57 0.96 3.71 1.08 0.00 -1.26 -5.12 105.19 110.13 1wfu n GLY 46 Ca 0.54 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.72 1.16 0.11 1.61 0.04 -1.26 -4.98 135.00 129.96 1wfu s PRO 47 Ca 0.00 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 1wfu s PRO 47 Cb 0.00 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 1wfu s PRO 47 CO 0.00 -2.30 1.27 0.37 0.04 0.00 0.00 177.00 176.38 1wfu h GLN 48 N -1.59 0.55 0.00 4.56 -0.00 -2.00 -3.10 115.11 113.53 1wfu h GLN 48 Ca -0.50 -0.57 0.00 0.00 -0.00 0.00 0.00 58.65 57.58 1wfu h GLN 48 Cb 1.29 0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.93 1wfu h GLN 48 CO 0.55 1.20 0.17 0.93 0.00 0.00 0.00 178.83 181.68 1wfu h GLU 49 N 0.32 0.00 -0.75 1.69 5.08 -2.01 0.29 114.58 119.20 1wfu h GLU 49 Ca -0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1wfu h GLU 49 Cb 1.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.81 1wfu h GLU 49 CO 0.18 0.00 0.09 0.94 -1.00 0.00 0.00 179.01 179.21 1wfu n GLN 50 N -2.45 3.51 -3.48 2.33 -0.06 -1.17 -4.93 117.38 111.14 1wfu n GLN 50 Ca -0.02 -2.29 -0.19 0.00 -2.00 0.00 0.00 57.00 52.50 1wfu n GLN 50 Cb 0.21 -2.03 -0.01 0.00 -4.06 0.00 0.00 30.24 24.35 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 -2.31 3.02 0.04 3.69 0.52 0.10 -4.98 118.94 119.02 1wfu s TRP 51 Ca 0.40 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.25 1wfu s TRP 51 Cb 0.31 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 1wfu s TRP 51 CO 0.11 -0.03 0.19 -0.51 0.02 0.00 0.00 176.95 176.73 1wfu s LEU 52 N -4.16 4.30 -0.03 2.99 1.02 -1.26 -4.50 118.68 117.04 1wfu s LEU 52 Ca 0.46 0.26 -0.13 0.00 0.02 0.00 0.00 54.13 54.75 1wfu s LEU 52 Cb -0.09 -2.80 -0.05 0.00 0.02 0.00 0.00 46.19 43.27 1wfu s LEU 52 CO 0.30 0.20 0.34 -0.60 0.02 0.00 0.00 176.35 176.61 1wfu s ARG 53 N -2.31 3.78 -0.15 1.70 3.52 -1.23 -4.67 118.95 119.61 1wfu s ARG 53 Ca 0.32 0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 56.15 1wfu s ARG 53 Cb -0.13 -3.21 0.05 0.00 -1.56 0.00 0.00 34.95 30.10 1wfu s ARG 53 CO 0.24 0.71 0.05 -0.06 -0.81 0.00 0.00 175.30 175.43 1wfu s PHE 54 N -1.07 0.63 -0.07 5.12 0.08 -0.70 -2.79 117.98 119.18 1wfu s PHE 54 Ca 0.22 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.86 1wfu s PHE 54 Cb -0.15 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 1wfu s PHE 54 CO 0.11 -0.48 -0.25 0.45 -0.10 0.00 0.00 175.22 174.95 1wfu s SER 55 N 1.99 3.08 -0.08 1.36 0.15 -0.97 -2.86 113.70 116.37 1wfu s SER 55 Ca 0.02 -0.53 -0.03 0.00 0.70 0.00 0.00 55.95 56.12 1wfu s SER 55 Cb -0.15 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 1wfu s SER 55 CO -0.07 0.22 0.04 -0.63 1.20 0.00 0.00 173.24 174.00 1wfu s ILE 56 N -0.01 4.60 0.35 6.45 -1.09 0.59 -1.03 121.20 131.04 1wfu s ILE 56 Ca -0.08 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1wfu s ILE 56 Cb -0.15 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 1wfu s ILE 56 CO 0.05 0.57 0.07 -1.61 -1.23 0.00 0.00 174.94 172.79 1wfu s GLU 57 N -1.04 1.72 0.02 2.79 8.01 -0.72 0.17 118.70 129.64 1wfu s GLU 57 Ca 0.15 -1.98 -0.08 0.00 0.01 0.00 0.00 54.97 53.07 1wfu s GLU 57 Cb -0.12 -0.84 0.00 0.00 -4.31 0.00 0.00 34.13 28.87 1wfu s GLU 57 CO 0.04 -0.25 0.15 -1.83 0.01 0.00 0.00 175.26 173.39 1wfu s GLU 58 N -3.86 0.57 0.05 1.61 -1.05 -1.20 -1.91 118.70 112.91 1wfu s GLU 58 Ca 0.33 -0.52 -0.05 0.00 -0.15 0.00 0.00 54.97 54.58 1wfu s GLU 58 Cb 0.07 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1wfu s GLU 58 CO 0.15 -0.15 0.28 -2.00 0.95 0.00 0.00 175.26 174.50 1wfu s GLU 59 N -1.93 3.57 -0.23 -4.83 2.12 -1.10 -2.48 118.70 113.83 1wfu s GLU 59 Ca -0.10 -0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.01 1wfu s GLU 59 Cb -0.05 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1wfu s GLU 59 CO -0.01 0.60 0.11 -0.51 -0.54 0.00 0.00 175.26 174.92 1wfu s ASP 60 N -1.98 5.73 0.33 -1.70 1.01 0.14 -4.74 116.67 115.47 1wfu s ASP 60 Ca 0.32 0.02 0.12 0.00 0.71 0.00 0.00 52.55 53.72 1wfu s ASP 60 Cb -0.13 -2.02 0.56 0.00 1.01 0.00 0.00 42.92 42.34 1wfu s ASP 60 CO 0.20 0.07 1.73 1.55 0.21 0.00 0.00 175.17 178.93 1wfu h PRO 61 N 7.47 0.00 0.05 8.23 0.13 -1.96 1.35 132.00 147.27 1wfu h PRO 61 Ca -0.37 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 1wfu h PRO 61 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1wfu h PRO 61 CO 0.64 0.48 -2.16 0.36 -0.23 0.00 0.00 178.00 177.09 1wfu n LYS 62 N -3.96 0.69 0.08 0.86 -0.00 -1.26 -4.33 118.16 110.24 1wfu n LYS 62 Ca -0.02 0.19 0.04 0.00 -0.00 0.00 0.00 58.31 58.52 1wfu n LYS 62 Cb 0.50 -1.63 -0.03 0.00 -0.00 0.00 0.00 35.03 33.87 1wfu n LYS 62 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1wfu h MET 63 N 0.03 0.00 -2.11 -1.58 0.00 -1.97 -3.47 114.93 105.82 1wfu h MET 63 Ca -0.47 0.00 -0.41 0.00 0.00 0.00 0.00 59.70 58.82 1wfu h MET 63 Cb 2.02 0.00 -0.08 0.00 0.00 0.00 0.00 31.60 33.55 1wfu h MET 63 CO 0.02 0.26 -0.46 0.72 0.00 0.00 0.00 176.91 177.45 1wfu n HIS 64 N -2.93 -0.58 -4.57 -0.22 8.25 0.46 -4.95 115.22 110.68 1wfu n HIS 64 Ca -0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.15 1wfu n HIS 64 Cb 0.74 -3.68 -0.08 0.00 1.12 0.00 0.00 29.99 28.09 1wfu n HIS 64 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wfu s SER 65 N -2.37 3.13 0.38 0.41 0.01 -1.23 -4.83 113.70 109.19 1wfu s SER 65 Ca 0.00 -1.62 0.08 0.00 1.31 0.00 0.00 55.95 55.72 1wfu s SER 65 Cb 0.00 0.40 -0.06 0.00 0.21 0.00 0.00 66.02 66.56 1wfu s SER 65 CO 0.00 -0.85 0.02 -0.31 0.41 0.00 0.00 173.24 172.51 1wfu s TYR 66 N -3.11 2.52 -0.30 2.43 1.51 -1.26 0.28 117.35 119.41 1wfu s TYR 66 Ca 0.21 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.57 1wfu s TYR 66 Cb 0.03 -1.65 0.16 0.00 -0.11 0.00 0.00 41.96 40.39 1wfu s TYR 66 CO 0.12 0.44 0.95 0.20 -1.11 0.00 0.00 175.55 176.15 1wfu s GLY 67 N -3.72 -0.23 -0.51 0.71 0.00 -1.03 -4.97 107.32 97.57 1wfu s GLY 67 Ca 0.35 2.99 -0.33 0.00 0.00 0.00 0.00 44.72 47.74 1wfu s GLY 67 CO 0.19 3.17 2.34 -0.62 0.00 0.00 0.00 173.10 178.17 1wfu n VAL 68 N 4.92 0.09 0.06 1.40 0.31 -1.26 -3.21 118.33 120.64 1wfu n VAL 68 Ca -0.10 -0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 63.81 1wfu n VAL 68 Cb 0.53 -1.66 -0.13 0.00 -0.91 0.00 0.00 33.84 31.67 1wfu n VAL 68 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1wfu h ILE 69 N 7.40 1.54 -3.82 2.52 3.07 -0.59 -3.46 117.51 124.16 1wfu h ILE 69 Ca -0.22 -3.24 -0.26 0.00 1.55 0.00 0.00 64.86 62.69 1wfu h ILE 69 Cb 1.31 2.81 -0.27 0.00 -0.27 0.00 0.00 36.82 40.40 1wfu h ILE 69 CO 1.12 0.90 -0.73 -0.47 -1.05 0.00 0.00 178.15 177.92 1wfu s TYR 70 N -2.68 0.22 -0.15 0.16 5.04 -0.41 -4.98 117.35 114.55 1wfu s TYR 70 Ca -0.01 -0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.48 1wfu s TYR 70 Cb 0.09 -0.14 0.07 0.00 0.35 0.00 0.00 41.96 42.33 1wfu s TYR 70 CO 0.83 -0.02 0.28 -0.08 -1.34 0.00 0.00 175.55 175.22 1wfu s THR 71 N -0.20 -0.44 0.00 4.34 -1.32 -1.26 -0.30 115.64 116.46 1wfu s THR 71 Ca -0.01 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1wfu s THR 71 Cb -0.02 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1wfu s THR 71 CO -0.00 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1wfu n GLY 72 N 5.35 1.67 0.42 6.08 0.00 -1.13 -5.02 105.19 112.55 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 -2.77 1.61 4.02 -1.26 -1.71 117.16 117.05 1wfu n TYR 73 Ca 0.00 -1.07 -0.22 0.00 -0.01 0.00 0.00 57.90 56.60 1wfu n TYR 73 Cb 0.00 -0.18 0.10 0.00 -0.02 0.00 0.00 39.34 39.24 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 -2.55 4.10 -0.00 -0.72 0.00 -1.26 -4.89 121.76 116.44 1wfu s ALA 74 Ca 0.32 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1wfu s ALA 74 Cb 0.30 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1wfu s ALA 74 CO -0.03 -1.33 0.00 0.25 0.00 0.00 0.00 175.76 174.66 1wfu n THR 75 N -2.67 0.00 -3.85 0.00 -2.24 -1.26 -4.61 114.28 99.65 1wfu n THR 75 Ca 0.16 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.69 1wfu n THR 75 Cb 0.61 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.93 3.00 -0.19 -0.78 3.52 -1.26 -0.31 118.95 121.00 1wfu s ARG 76 Ca -0.00 -1.07 -0.30 0.00 -0.13 0.00 0.00 55.73 54.24 1wfu s ARG 76 Cb 0.00 -2.65 0.14 0.00 -1.56 0.00 0.00 34.95 30.87 1wfu s ARG 76 CO 0.01 0.23 1.06 -1.58 -0.81 0.00 0.00 175.30 174.21 1wfu s HIS 77 N -2.17 -0.32 -0.12 5.12 2.46 0.15 -4.94 115.29 115.47 1wfu s HIS 77 Ca 0.38 0.57 -0.04 0.00 0.47 0.00 0.00 55.06 56.45 1wfu s HIS 77 Cb -0.08 0.45 0.05 0.00 -0.13 0.00 0.00 32.58 32.87 1wfu s HIS 77 CO 0.28 -0.28 0.09 0.08 -2.47 0.00 0.00 174.74 172.43 1wfu s VAL 78 N -0.98 -0.11 -0.37 0.89 1.01 -1.26 1.00 120.40 120.57 1wfu s VAL 78 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1wfu s VAL 78 Cb -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1wfu s VAL 78 CO -0.01 -0.08 1.38 -0.69 0.00 0.00 0.00 175.10 175.70 1wfu s VAL 79 N 2.16 3.97 0.47 2.92 1.01 -0.30 -4.85 120.40 125.79 1wfu s VAL 79 Ca 0.03 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1wfu s VAL 79 Cb -0.14 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1wfu s VAL 79 CO -0.07 -0.66 0.71 -1.61 0.00 0.00 0.00 175.10 173.47 1wfu s GLU 80 N 4.69 3.00 -0.56 2.72 2.02 -1.26 -1.27 118.70 128.04 1wfu s GLU 80 Ca 0.60 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 1wfu s GLU 80 Cb -0.15 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1wfu s GLU 80 CO 0.30 -0.36 0.51 0.41 0.02 0.00 0.00 175.26 176.14 1wfu n GLY 81 N -2.16 -0.75 3.43 -1.39 0.00 -0.92 -4.94 105.19 98.46 1wfu n GLY 81 Ca 0.02 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.77 2.53 0.16 0.99 1.43 0.13 -4.97 118.68 115.18 1wfu s LEU 82 Ca 0.11 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.10 1wfu s LEU 82 Cb -0.01 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1wfu s LEU 82 CO 0.49 -0.27 0.20 -1.61 0.23 0.00 0.00 176.35 175.40 1wfu s GLU 83 N -3.68 3.13 0.20 1.70 2.02 -1.26 -4.22 118.70 116.59 1wfu s GLU 83 Ca 0.29 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.21 1wfu s GLU 83 Cb 0.02 -2.77 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 1wfu s GLU 83 CO 0.12 0.49 1.30 -1.25 0.02 0.00 0.00 175.26 175.94 1wfu s PRO 84 N -3.21 4.39 -1.23 0.39 0.04 -1.12 -3.44 135.00 130.82 1wfu s PRO 84 Ca 0.32 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1wfu s PRO 84 Cb -0.10 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1wfu s PRO 84 CO 0.26 -0.24 0.86 0.54 0.04 0.00 0.00 177.00 178.46 1wfu n ARG 85 N 2.53 -5.36 -4.47 4.56 5.12 -0.74 -4.94 116.66 113.35 1wfu n ARG 85 Ca 0.06 0.74 -0.22 0.00 -1.93 0.00 0.00 57.85 56.50 1wfu n ARG 85 Cb 0.43 -5.51 -0.16 0.00 -1.16 0.00 0.00 32.46 26.06 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 -3.50 0.92 0.19 0.55 2.01 -1.22 -4.89 115.64 109.69 1wfu s THR 86 Ca 0.05 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 1wfu s THR 86 Cb -0.01 -0.82 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1wfu s THR 86 CO 0.77 0.29 0.90 -0.22 -0.69 0.00 0.00 174.62 175.67 1wfu s LEU 87 N 0.28 4.60 -0.16 4.42 1.98 -1.26 -1.66 118.68 126.88 1wfu s LEU 87 Ca -0.05 1.83 -0.03 0.00 -2.89 0.00 0.00 54.13 52.98 1wfu s LEU 87 Cb -0.10 -3.52 0.05 0.00 0.66 0.00 0.00 46.19 43.28 1wfu s LEU 87 CO 0.01 0.12 0.05 -0.31 -1.89 0.00 0.00 176.35 174.33 1wfu s TYR 88 N -0.87 0.64 0.07 5.38 2.02 0.93 -4.91 117.35 120.61 1wfu s TYR 88 Ca 0.41 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 56.40 1wfu s TYR 88 Cb -0.25 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.40 1wfu s TYR 88 CO 0.30 -0.50 0.66 0.15 -1.57 0.00 0.00 175.55 174.59 1wfu s LYS 89 N 1.99 4.37 -0.00 -0.62 1.02 -1.26 -1.77 119.74 123.46 1wfu s LYS 89 Ca 0.01 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.90 1wfu s LYS 89 Cb -0.16 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1wfu s LYS 89 CO -0.07 0.48 -0.00 -0.06 -0.92 0.00 0.00 175.35 174.78 1wfu s PHE 90 N -0.67 0.08 -0.12 3.18 0.08 -0.91 -2.70 117.98 116.91 1wfu s PHE 90 Ca 0.33 -0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.40 1wfu s PHE 90 Cb -0.20 -0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.17 1wfu s PHE 90 CO 0.21 -0.01 -0.18 -0.98 -0.10 0.00 0.00 175.22 174.15 1wfu s ARG 91 N 0.11 3.20 -0.08 0.44 1.70 -0.80 -0.70 118.95 122.82 1wfu s ARG 91 Ca -0.01 -0.78 -0.18 0.00 -0.47 0.00 0.00 55.73 54.28 1wfu s ARG 91 Cb -0.02 -2.48 -0.05 0.00 -0.57 0.00 0.00 34.95 31.84 1wfu s ARG 91 CO -0.00 0.16 0.50 -1.17 -1.08 0.00 0.00 175.30 173.70 1wfu s LEU 92 N 0.43 4.32 0.08 -1.89 2.96 -1.26 -1.76 118.68 121.56 1wfu s LEU 92 Ca -0.13 0.90 0.09 0.00 -0.22 0.00 0.00 54.13 54.76 1wfu s LEU 92 Cb -0.17 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 1wfu s LEU 92 CO 0.06 0.05 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.19 1wfu s LYS 93 N 0.30 1.85 0.01 1.98 2.20 -0.20 0.58 119.74 126.46 1wfu s LYS 93 Ca 0.27 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1wfu s LYS 93 Cb -0.16 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1wfu s LYS 93 CO 0.12 0.50 -0.01 0.14 -0.36 0.00 0.00 175.35 175.74 1wfu s VAL 94 N -1.02 0.05 -0.23 4.02 -7.23 -1.08 -2.28 120.40 112.63 1wfu s VAL 94 Ca 0.16 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1wfu s VAL 94 Cb -0.10 -0.10 0.07 0.00 0.56 0.00 0.00 36.38 36.80 1wfu s VAL 94 CO 0.07 -0.16 0.03 -0.89 -0.31 0.00 0.00 175.10 173.84 1wfu s THR 95 N -0.49 0.79 0.75 5.32 2.01 -1.12 -0.84 115.64 122.07 1wfu s THR 95 Ca -0.05 -0.87 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 1wfu s THR 95 Cb -0.03 -1.31 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 1wfu s THR 95 CO -0.00 -0.29 0.13 -1.54 -0.69 0.00 0.00 174.62 172.22 1wfu n SER 96 N 4.94 -2.72 0.00 3.53 3.41 0.61 -3.49 113.62 119.91 1wfu n SER 96 Ca -0.08 0.50 0.05 0.00 -0.26 0.00 0.00 58.87 59.08 1wfu n SER 96 Cb 0.45 -1.05 0.31 0.00 -0.26 0.00 0.00 64.21 63.66 1wfu n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1wfu n PRO 97 N 0.24 0.49 -0.06 4.33 -0.04 -1.26 -2.38 135.00 136.32 1wfu n PRO 97 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1wfu n PRO 97 Cb 0.51 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.83 2.23 0.00 3.54 7.64 -1.26 -5.01 113.62 119.93 1wfu n SER 98 Ca 0.08 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1wfu n SER 98 Cb 0.04 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.62 3.67 0.23 0.00 -1.00 -5.14 105.19 106.93 1wfu n GLY 99 Ca -0.20 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 0.73 -3.62 1.61 -0.58 -1.26 -4.66 120.64 112.86 1wfu n GLU 100 Ca 0.00 0.31 -0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1wfu n GLU 100 Cb 0.00 -2.38 -0.07 0.00 -0.57 0.00 0.00 31.44 28.42 1wfu n GLU 100 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1wfu s TYR 101 N -1.67 -0.65 0.19 -0.32 -0.85 -1.26 0.23 117.35 113.02 1wfu s TYR 101 Ca 0.77 1.42 0.02 0.00 -0.52 0.00 0.00 57.07 58.76 1wfu s TYR 101 Cb -0.36 0.29 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 1wfu s TYR 101 CO 0.46 -0.44 0.08 0.39 -1.52 0.00 0.00 175.55 174.53 1wfu n GLU 102 N 2.00 0.65 -4.15 -3.49 -0.58 -0.02 -4.96 120.64 110.10 1wfu n GLU 102 Ca -0.16 -1.69 -0.15 0.00 -0.42 0.00 0.00 57.16 54.74 1wfu n GLU 102 Cb 0.56 1.00 -0.13 0.00 -0.57 0.00 0.00 31.44 32.31 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 -2.37 0.67 0.35 -0.32 1.51 -1.26 -2.62 117.35 113.31 1wfu s TYR 103 Ca 0.12 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1wfu s TYR 103 Cb 0.01 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.41 1wfu s TYR 103 CO 0.08 -0.04 0.56 -1.54 -1.11 0.00 0.00 175.55 173.51 1wfu s SER 104 N -0.89 6.30 -0.08 2.29 1.04 0.20 -3.93 113.70 118.62 1wfu s SER 104 Ca -0.03 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 1wfu s SER 104 Cb -0.06 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 1wfu s SER 104 CO 0.00 -0.31 1.50 -2.16 0.98 0.00 0.00 173.24 173.26 1wfu s PRO 105 N -4.32 4.21 0.16 4.02 0.04 -1.26 -4.35 135.00 133.50 1wfu s PRO 105 Ca 0.40 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1wfu s PRO 105 Cb -0.10 -3.85 -0.17 0.00 0.04 0.00 0.00 34.50 30.42 1wfu s PRO 105 CO 0.36 -0.76 0.60 0.28 0.04 0.00 0.00 177.00 177.52 1wfu n VAL 106 N 5.31 1.62 -3.98 -0.36 0.31 -1.26 -4.74 118.33 115.23 1wfu n VAL 106 Ca 0.16 -0.40 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 1wfu n VAL 106 Cb 0.43 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.21 1wfu n VAL 106 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1wfu s VAL 107 N -0.81 1.96 -0.25 2.52 -7.23 0.13 -4.90 120.40 111.82 1wfu s VAL 107 Ca 0.67 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1wfu s VAL 107 Cb -0.96 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.61 1wfu s VAL 107 CO 0.55 -0.45 0.81 -0.94 -0.31 0.00 0.00 175.10 174.76 1wfu s SER 108 N 1.10 6.80 -0.05 4.85 1.04 -1.26 -2.13 113.70 124.05 1wfu s SER 108 Ca 0.05 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.49 1wfu s SER 108 Cb -0.19 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.51 1wfu s SER 108 CO -0.10 -0.51 -0.13 0.68 0.98 0.00 0.00 173.24 174.16 1wfu s VAL 109 N 2.83 1.15 -0.24 5.02 -7.23 -0.73 -4.88 120.40 116.32 1wfu s VAL 109 Ca 0.34 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.89 1wfu s VAL 109 Cb -0.15 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 1wfu s VAL 109 CO 0.08 0.35 0.16 0.00 -0.31 0.00 0.00 175.10 175.38 1wfu s ALA 110 N 0.44 3.58 1.20 1.32 0.00 -1.26 -0.05 121.76 126.99 1wfu s ALA 110 Ca -0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1wfu s ALA 110 Cb -0.14 -2.32 0.17 0.00 0.00 0.00 0.00 23.12 20.83 1wfu s ALA 110 CO 0.03 -0.23 0.41 0.25 0.00 0.00 0.00 175.76 176.21 1wfu n THR 111 N 4.37 0.00 -3.44 0.00 -2.24 -0.66 -4.84 114.28 107.46 1wfu n THR 111 Ca -0.15 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1wfu n THR 111 Cb 0.52 -0.56 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1wfu n THR 111 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfu n THR 112 N -4.15 0.00 -1.97 4.28 -2.24 -1.26 -3.94 114.28 105.01 1wfu n THR 112 Ca 0.06 -1.98 -0.33 0.00 -2.27 0.00 0.00 64.05 59.54 1wfu n THR 112 Cb 0.27 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1wfu n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfu s ARG 113 N -4.36 3.21 0.15 -0.78 3.03 -1.26 -1.79 118.95 117.14 1wfu s ARG 113 Ca 0.45 1.22 -0.13 0.00 2.03 0.00 0.00 55.73 59.30 1wfu s ARG 113 Cb -0.04 -2.02 -0.07 0.00 -1.03 0.00 0.00 34.95 31.80 1wfu s ARG 113 CO 0.29 -0.90 0.52 -1.83 -1.13 0.00 0.00 175.30 172.25 1wfu s GLU 114 N -4.14 3.91 -0.79 3.89 -1.05 -1.26 -4.52 118.70 114.74 1wfu s GLU 114 Ca 0.64 0.40 -0.00 0.00 -0.15 0.00 0.00 54.97 55.85 1wfu s GLU 114 Cb -0.17 -2.89 0.36 0.00 -0.44 0.00 0.00 34.13 30.99 1wfu s GLU 114 CO 0.39 0.46 1.80 0.45 0.95 0.00 0.00 175.26 179.31 1wfu n SER 115 N 0.65 6.91 0.00 0.83 2.88 -1.26 -4.96 113.62 118.67 1wfu n SER 115 Ca -0.05 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 1wfu n SER 115 Cb 0.52 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1wfu n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 116 N -0.45 2.33 3.77 0.46 0.00 -1.26 -5.15 105.19 104.89 1wfu n GLY 116 Ca 0.50 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.00 3.78 -0.09 1.61 0.04 -1.26 -4.98 135.00 132.10 1wfu s PRO 117 Ca 0.00 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 1wfu s PRO 117 Cb 0.00 -2.43 -0.27 0.00 0.04 0.00 0.00 34.50 31.83 1wfu s PRO 117 CO 0.00 -0.54 0.87 1.03 0.04 0.00 0.00 177.00 178.40 1wfu h SER 118 N 2.10 0.21 0.00 6.66 0.87 -2.01 -3.42 113.55 117.96 1wfu h SER 118 Ca -0.49 -0.94 -0.08 0.00 -1.23 0.00 0.00 61.79 59.05 1wfu h SER 118 Cb 1.25 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1wfu h SER 118 CO 0.60 1.13 -1.27 -1.20 -0.53 0.00 0.00 176.83 175.57 1wfu n SER 119 N -4.42 1.69 0.00 6.23 7.64 -1.26 -5.30 113.62 118.21 1wfu n SER 119 Ca -0.11 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1wfu n SER 119 Cb 0.61 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64