#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfu n SER 2 N 0.00 5.09 -4.12 1.61 7.64 -1.26 -5.02 113.62 117.57 1wfu n SER 2 Ca 0.00 -3.54 -0.26 0.00 1.01 0.00 0.00 58.87 56.08 1wfu n SER 2 Cb 0.00 -0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 62.19 1wfu n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfu s SER 3 N -2.43 2.13 0.00 6.43 0.01 -1.26 -5.06 113.70 113.52 1wfu s SER 3 Ca 0.40 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1wfu s SER 3 Cb 0.17 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1wfu s SER 3 CO -0.04 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1wfu n GLY 4 N 3.28 -1.72 2.89 3.44 0.00 -1.26 -5.17 105.19 106.65 1wfu n GLY 4 Ca -0.19 0.89 -0.15 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.37 -0.19 1.61 0.15 -1.26 -5.14 113.70 109.24 1wfu s SER 5 Ca 0.00 -0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 1wfu s SER 5 Cb 0.00 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.28 1wfu s SER 5 CO 0.00 -0.00 0.44 -0.94 1.20 0.00 0.00 173.24 173.94 1wfu s SER 6 N 0.25 -0.51 -0.65 5.45 1.04 -1.26 -5.06 113.70 112.96 1wfu s SER 6 Ca -0.02 0.98 0.01 0.00 0.48 0.00 0.00 55.95 57.40 1wfu s SER 6 Cb -0.05 0.97 0.39 0.00 0.10 0.00 0.00 66.02 67.43 1wfu s SER 6 CO -0.01 -0.21 1.61 0.61 0.98 0.00 0.00 173.24 176.23 1wfu n GLY 7 N 4.53 5.78 2.84 7.32 0.00 -1.26 -4.96 105.19 119.43 1wfu n GLY 7 Ca -0.20 -2.60 -0.18 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.82 0.42 0.02 1.61 0.00 -1.26 -5.15 119.30 111.12 1wfu s MET 8 Ca 0.51 0.03 0.06 0.00 0.00 0.00 0.00 55.69 56.29 1wfu s MET 8 Cb 0.43 -0.56 -0.02 0.00 0.00 0.00 0.00 34.83 34.68 1wfu s MET 8 CO -0.28 -0.12 -0.18 -1.83 0.00 0.00 0.00 175.02 172.61 1wfu s GLU 9 N 0.96 1.31 0.09 4.11 -1.05 -1.26 -5.12 118.70 117.73 1wfu s GLU 9 Ca -0.10 -0.79 -0.31 0.00 -0.15 0.00 0.00 54.97 53.61 1wfu s GLU 9 Cb -0.14 -1.35 -0.07 0.00 -0.44 0.00 0.00 34.13 32.13 1wfu s GLU 9 CO -0.01 0.35 1.38 -1.25 0.95 0.00 0.00 175.26 176.68 1wfu s PRO 10 N -0.90 4.32 0.02 -4.83 0.04 -1.26 -4.99 135.00 127.40 1wfu s PRO 10 Ca 0.06 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1wfu s PRO 10 Cb -0.08 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1wfu s PRO 10 CO 0.01 -0.45 1.03 -3.38 0.04 0.00 0.00 177.00 174.25 1wfu s HIS 11 N 1.39 3.61 -1.07 0.56 -3.43 -1.26 -3.94 115.29 111.15 1wfu s HIS 11 Ca 0.64 1.61 -0.03 0.00 -0.80 0.00 0.00 55.06 56.48 1wfu s HIS 11 Cb -0.35 -3.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 1wfu s HIS 11 CO 0.29 -0.31 0.05 1.17 -2.00 0.00 0.00 174.74 173.94 1wfu n LYS 12 N 3.83 -0.91 -3.62 -0.38 3.00 -1.26 -4.87 118.16 113.95 1wfu n LYS 12 Ca 0.06 0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.30 1wfu n LYS 12 Cb 0.50 -2.41 -0.07 0.00 0.00 0.00 0.00 35.03 33.05 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1wfu s VAL 13 N -3.98 0.00 -0.12 3.15 1.01 -1.25 -5.16 120.40 114.05 1wfu s VAL 13 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1wfu s VAL 13 Cb -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1wfu s VAL 13 CO 0.70 0.00 -0.11 0.54 0.00 0.00 0.00 175.10 176.23 1wfu s VAL 14 N 0.08 1.28 0.93 2.92 0.11 -1.26 -4.60 120.40 119.86 1wfu s VAL 14 Ca 0.01 -0.47 -0.12 0.00 -2.93 0.00 0.00 61.98 58.47 1wfu s VAL 14 Cb -0.04 -1.24 0.15 0.00 -1.53 0.00 0.00 36.38 33.72 1wfu s VAL 14 CO -0.02 0.41 1.09 -2.16 -3.33 0.00 0.00 175.10 171.09 1wfu s PRO 15 N 1.48 0.97 0.61 1.54 0.04 -1.26 -5.04 135.00 133.34 1wfu s PRO 15 Ca 0.02 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1wfu s PRO 15 Cb -0.13 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1wfu s PRO 15 CO -0.08 -2.41 1.02 -0.48 0.04 0.00 0.00 177.00 175.09 1wfu s LEU 16 N -6.31 3.28 0.93 -3.56 2.34 -1.26 -5.04 118.68 109.06 1wfu s LEU 16 Ca 0.64 1.43 -0.10 0.00 0.06 0.00 0.00 54.13 56.16 1wfu s LEU 16 Cb -0.18 -4.47 0.15 0.00 -0.56 0.00 0.00 46.19 41.13 1wfu s LEU 16 CO 0.57 -0.84 1.13 -0.94 -1.06 0.00 0.00 176.35 175.21 1wfu s SER 17 N -4.05 2.87 0.17 1.48 1.04 -1.26 -4.83 113.70 109.13 1wfu s SER 17 Ca 0.55 2.07 -0.30 0.00 0.48 0.00 0.00 55.95 58.76 1wfu s SER 17 Cb -0.11 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 1wfu s SER 17 CO 0.51 -3.11 0.99 -0.54 0.98 0.00 0.00 173.24 172.07 1wfu s LYS 18 N -4.66 4.73 0.63 4.02 1.02 -1.26 -4.74 119.74 119.48 1wfu s LYS 18 Ca 0.66 1.53 -0.16 0.00 0.02 0.00 0.00 55.97 58.02 1wfu s LYS 18 Cb -0.22 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1wfu s LYS 18 CO 0.58 0.28 1.11 -1.25 -0.92 0.00 0.00 175.35 175.16 1wfu s PRO 19 N -0.50 2.91 0.40 -1.68 0.04 -1.26 -5.02 135.00 129.89 1wfu s PRO 19 Ca 0.45 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 1wfu s PRO 19 Cb -0.26 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1wfu s PRO 19 CO 0.32 -1.17 0.71 -1.01 0.04 0.00 0.00 177.00 175.89 1wfu s HIS 20 N -2.22 3.51 0.32 0.56 3.76 -1.26 -4.31 115.29 115.65 1wfu s HIS 20 Ca 0.68 0.82 -0.29 0.00 -0.15 0.00 0.00 55.06 56.13 1wfu s HIS 20 Cb -0.21 -2.28 -0.10 0.00 1.11 0.00 0.00 32.58 31.10 1wfu s HIS 20 CO 0.38 -0.09 1.22 -1.25 -0.85 0.00 0.00 174.74 174.16 1wfu s PRO 21 N -4.13 4.42 0.37 8.40 0.04 -1.26 -4.87 135.00 137.97 1wfu s PRO 21 Ca 0.47 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.29 1wfu s PRO 21 Cb -0.10 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 1wfu s PRO 21 CO 0.36 -0.07 1.20 -1.25 0.04 0.00 0.00 177.00 177.29 1wfu s PRO 22 N -1.73 4.19 0.37 0.56 0.04 -1.26 -4.97 135.00 132.21 1wfu s PRO 22 Ca 0.48 1.95 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 1wfu s PRO 22 Cb -0.36 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 1wfu s PRO 22 CO 0.47 -0.23 0.73 0.08 0.04 0.00 0.00 177.00 178.09 1wfu s VAL 23 N -1.30 4.80 -0.40 -0.36 1.01 -0.98 -4.87 120.40 118.30 1wfu s VAL 23 Ca 0.53 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 63.05 1wfu s VAL 23 Cb -0.34 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1wfu s VAL 23 CO 0.43 -0.43 0.20 -0.69 0.00 0.00 0.00 175.10 174.62 1wfu s VAL 24 N -2.26 3.79 0.00 2.92 1.01 -1.26 -1.59 120.40 123.01 1wfu s VAL 24 Ca 0.51 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1wfu s VAL 24 Cb -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1wfu s VAL 24 CO 0.29 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1wfu n GLY 25 N 4.79 1.69 3.74 4.51 0.00 -1.22 -4.89 105.19 113.80 1wfu n GLY 25 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 4.44 -0.26 1.61 2.20 -1.26 -4.98 119.74 121.50 1wfu s LYS 26 Ca 0.00 0.96 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 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 0.26 -0.09 0.08 -0.36 0.00 0.00 175.35 175.24 1wfu s VAL 27 N 0.08 2.00 0.08 4.02 1.01 -1.26 -0.87 120.40 125.46 1wfu s VAL 27 Ca 0.37 -1.56 0.06 0.00 0.00 0.00 0.00 61.98 60.85 1wfu s VAL 27 Cb -0.19 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1wfu s VAL 27 CO 0.21 -0.08 -0.08 0.42 0.00 0.00 0.00 175.10 175.58 1wfu s THR 28 N 1.17 3.54 -2.00 3.92 -4.23 -0.61 -4.55 115.64 112.88 1wfu s THR 28 Ca -0.07 -1.12 0.16 0.00 -1.18 0.00 0.00 61.69 59.47 1wfu s THR 28 Cb -0.20 -2.64 0.44 0.00 1.34 0.00 0.00 72.50 71.45 1wfu s THR 28 CO -0.06 0.17 1.37 0.00 -0.54 0.00 0.00 174.62 175.56 1wfu n HIS 29 N 0.84 0.00 -0.08 3.99 1.44 -1.25 -2.22 115.22 117.94 1wfu n HIS 29 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1wfu n HIS 29 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 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 -0.89 0.00 -3.82 -1.40 -0.00 -1.26 -2.78 115.22 105.06 1wfu n HIS 30 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.78 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 0.45 -0.00 0.00 0.00 176.34 176.79 1wfu s SER 31 N -0.50 -0.12 -0.05 4.39 0.15 -0.94 -2.28 113.70 114.34 1wfu s SER 31 Ca 0.00 -0.74 -0.02 0.00 0.70 0.00 0.00 55.95 55.89 1wfu s SER 31 Cb 0.00 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 65.02 1wfu s SER 31 CO 0.00 -1.30 0.09 -0.63 1.20 0.00 0.00 173.24 172.60 1wfu s ILE 32 N -3.02 -0.15 0.20 6.45 1.01 -1.11 -1.57 121.20 123.01 1wfu s ILE 32 Ca 0.14 0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.92 1wfu s ILE 32 Cb -0.04 -0.19 -0.08 0.00 0.01 0.00 0.00 42.46 42.16 1wfu s ILE 32 CO 0.07 0.16 0.80 -0.70 0.00 0.00 0.00 174.94 175.27 1wfu s GLU 33 N 2.06 4.56 -0.00 2.79 2.12 -0.05 -1.38 118.70 128.80 1wfu s GLU 33 Ca 0.03 1.17 -0.01 0.00 0.36 0.00 0.00 54.97 56.52 1wfu s GLU 33 Cb -0.12 -3.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 1wfu s GLU 33 CO -0.04 0.52 0.02 -0.51 -0.54 0.00 0.00 175.26 174.71 1wfu s LEU 34 N -1.34 1.95 -0.18 2.70 1.43 0.27 -3.42 118.68 120.10 1wfu s LEU 34 Ca 0.38 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1wfu s LEU 34 Cb -0.22 0.12 0.09 0.00 0.03 0.00 0.00 46.19 46.20 1wfu s LEU 34 CO 0.26 -0.08 0.34 -0.72 0.23 0.00 0.00 176.35 176.37 1wfu s TYR 35 N -0.35 -0.61 -0.43 0.29 -0.85 -0.62 0.10 117.35 114.87 1wfu s TYR 35 Ca -0.04 1.11 0.04 0.00 -0.52 0.00 0.00 57.07 57.66 1wfu s TYR 35 Cb -0.03 0.08 0.45 0.00 0.38 0.00 0.00 41.96 42.84 1wfu s TYR 35 CO -0.00 -0.47 1.45 -2.67 -1.52 0.00 0.00 175.55 172.34 1wfu n TRP 36 N 5.37 2.96 0.68 -3.49 2.14 0.84 -2.32 117.44 123.63 1wfu n TRP 36 Ca -0.07 -2.54 -0.03 0.00 2.07 0.00 0.00 57.50 56.94 1wfu n TRP 36 Cb 0.50 -0.65 0.03 0.00 -0.81 0.00 0.00 31.31 30.38 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 -0.73 2.79 -0.63 -0.67 2.03 -1.26 -3.46 116.55 114.62 1wfu n ASP 37 Ca 0.49 -2.22 0.06 0.00 0.52 0.00 0.00 54.79 53.64 1wfu n ASP 37 Cb 0.82 -0.55 0.14 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.22 2.78 -0.04 -2.67 7.99 -1.26 -4.46 117.00 119.56 1wfu n LEU 38 Ca 0.08 -1.80 -0.09 0.00 -0.01 0.00 0.00 56.01 54.19 1wfu n LEU 38 Cb 0.61 -0.20 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 1wfu n LEU 38 CO 0.08 0.67 -0.66 -0.62 -1.51 0.00 0.00 177.39 175.35 1wfu n GLU 39 N 0.58 0.22 -0.32 3.23 4.71 -1.23 -4.64 120.64 123.19 1wfu n GLU 39 Ca 0.11 0.09 -0.05 0.00 -0.01 0.00 0.00 57.16 57.30 1wfu n GLU 39 Cb 0.41 -0.87 0.03 0.00 -1.01 0.00 0.00 31.44 30.00 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wfu n GLN 40 N -3.61 1.27 0.14 3.49 0.00 -1.26 -4.45 117.38 112.95 1wfu n GLN 40 Ca -0.16 -0.61 -0.14 0.00 0.00 0.00 0.00 57.00 56.09 1wfu n GLN 40 Cb 0.50 -1.24 -0.06 0.00 0.00 0.00 0.00 30.24 29.43 1wfu n GLN 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1wfu h LYS 41 N 0.39 -0.56 -4.00 2.61 1.57 -1.82 -3.44 116.57 111.32 1wfu h LYS 41 Ca 0.13 0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 58.46 1wfu h LYS 41 Cb 1.30 0.13 0.06 0.00 0.08 0.00 0.00 32.23 33.79 1wfu h LYS 41 CO 0.24 -0.38 -0.18 -1.91 -0.57 0.00 0.00 179.45 176.65 1wfu n GLU 42 N -5.43 0.00 -1.00 3.15 4.07 -1.26 -4.76 120.64 115.42 1wfu n GLU 42 Ca -0.07 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.66 1wfu n GLU 42 Cb 0.33 -0.81 0.04 0.00 -0.06 0.00 0.00 31.44 30.94 1wfu n GLU 42 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wfu n LYS 43 N 0.81 0.00 -0.74 5.31 5.02 -1.26 -4.71 118.16 122.59 1wfu n LYS 43 Ca 0.13 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.35 1wfu n LYS 43 Cb 0.12 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 1wfu n LYS 43 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1wfu n ARG 44 N 2.49 1.45 -1.27 1.97 1.85 -1.26 -4.94 116.66 116.96 1wfu n ARG 44 Ca -0.02 -0.59 -0.53 0.00 -1.00 0.00 0.00 57.85 55.71 1wfu n ARG 44 Cb 0.58 -1.42 -0.09 0.00 -1.05 0.00 0.00 32.46 30.48 1wfu n ARG 44 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1wfu n GLN 45 N 1.64 0.00 0.00 2.89 1.13 -1.26 -4.47 117.38 117.30 1wfu n GLN 45 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1wfu n GLN 45 Cb 0.63 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.75 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 4.47 -0.18 3.72 1.08 0.00 -1.26 -4.91 105.19 108.11 1wfu n GLY 46 Ca 0.34 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.02 1.23 0.54 1.61 0.04 -1.26 -4.87 135.00 131.27 1wfu s PRO 47 Ca 0.00 0.81 0.24 0.00 0.04 0.00 0.00 61.00 62.09 1wfu s PRO 47 Cb 0.00 -1.81 1.42 0.00 0.04 0.00 0.00 34.50 34.16 1wfu s PRO 47 CO 0.00 -2.26 2.05 0.37 0.04 0.00 0.00 177.00 177.21 1wfu h GLN 48 N -1.56 0.00 0.00 4.56 -0.00 -1.94 0.18 115.11 116.34 1wfu h GLN 48 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.15 1wfu h GLN 48 Cb 1.29 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.76 1wfu h GLN 48 CO 0.55 0.00 -0.04 0.93 0.00 0.00 0.00 178.83 180.27 1wfu h GLU 49 N 0.00 0.00 -0.93 1.69 5.08 -1.99 -1.95 114.58 116.48 1wfu h GLU 49 Ca 0.16 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 1wfu h GLU 49 Cb 0.66 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.80 1wfu h GLU 49 CO -0.00 0.04 0.25 1.04 -1.00 0.00 0.00 179.01 179.33 1wfu n GLN 50 N -3.27 2.13 -3.81 2.33 1.13 0.62 -4.91 117.38 111.59 1wfu n GLN 50 Ca -0.02 -1.65 -0.20 0.00 -1.94 0.00 0.00 57.00 53.19 1wfu n GLN 50 Cb 0.19 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.80 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1wfu s TRP 51 N -1.84 3.28 0.37 1.08 0.52 -0.73 -4.94 118.94 116.68 1wfu s TRP 51 Ca 0.30 -0.11 -0.04 0.00 0.02 0.00 0.00 56.10 56.28 1wfu s TRP 51 Cb 0.25 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 1wfu s TRP 51 CO 0.07 0.29 0.63 -0.51 0.02 0.00 0.00 176.95 177.44 1wfu s LEU 52 N -4.03 3.91 -0.08 2.99 1.02 -1.26 -4.66 118.68 116.57 1wfu s LEU 52 Ca 0.38 0.72 -0.08 0.00 0.02 0.00 0.00 54.13 55.16 1wfu s LEU 52 Cb -0.09 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 1wfu s LEU 52 CO 0.29 -0.34 0.21 -0.60 0.02 0.00 0.00 176.35 175.93 1wfu s ARG 53 N -4.13 3.55 -0.21 1.70 3.52 -1.22 -4.75 118.95 117.41 1wfu s ARG 53 Ca 0.44 -0.02 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1wfu s ARG 53 Cb -0.10 -3.18 0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1wfu s ARG 53 CO 0.36 0.75 -0.11 -0.06 -0.81 0.00 0.00 175.30 175.42 1wfu s PHE 54 N -1.07 2.60 -0.15 5.12 0.08 0.52 -2.80 117.98 122.26 1wfu s PHE 54 Ca 0.18 -1.72 0.00 0.00 0.12 0.00 0.00 56.93 55.52 1wfu s PHE 54 Cb -0.13 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1wfu s PHE 54 CO 0.08 -0.77 -0.15 -1.12 -0.10 0.00 0.00 175.22 173.15 1wfu s SER 55 N 1.34 3.64 -0.10 1.36 0.01 -0.53 -2.04 113.70 117.37 1wfu s SER 55 Ca -0.02 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 1wfu s SER 55 Cb -0.16 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1wfu s SER 55 CO -0.08 0.08 0.03 -0.63 0.41 0.00 0.00 173.24 173.06 1wfu s ILE 56 N 0.82 4.59 0.32 1.44 -1.09 -0.05 -0.68 121.20 126.55 1wfu s ILE 56 Ca -0.05 -0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1wfu s ILE 56 Cb -0.15 -2.95 -0.06 0.00 -1.58 0.00 0.00 42.46 37.71 1wfu s ILE 56 CO -0.00 0.60 0.07 -1.61 -1.23 0.00 0.00 174.94 172.76 1wfu s GLU 57 N -0.85 1.63 -0.07 2.79 2.02 -0.86 -0.46 118.70 122.91 1wfu s GLU 57 Ca 0.13 -1.90 -0.06 0.00 0.02 0.00 0.00 54.97 53.16 1wfu s GLU 57 Cb -0.12 -0.78 0.02 0.00 0.10 0.00 0.00 34.13 33.36 1wfu s GLU 57 CO 0.03 -0.21 0.18 -1.83 0.02 0.00 0.00 175.26 173.44 1wfu s GLU 58 N -3.91 0.20 0.30 1.61 -1.05 -0.39 -2.01 118.70 113.45 1wfu s GLU 58 Ca 0.36 0.26 -0.16 0.00 -0.15 0.00 0.00 54.97 55.28 1wfu s GLU 58 Cb 0.08 0.08 -0.09 0.00 -0.44 0.00 0.00 34.13 33.77 1wfu s GLU 58 CO 0.15 -0.03 0.73 -2.00 0.95 0.00 0.00 175.26 175.06 1wfu s GLU 59 N 0.17 4.04 -0.18 -4.83 2.12 -1.21 -0.42 118.70 118.39 1wfu s GLU 59 Ca -0.01 0.69 -0.06 0.00 0.36 0.00 0.00 54.97 55.96 1wfu s GLU 59 Cb -0.02 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 1wfu s GLU 59 CO -0.00 0.21 0.03 -0.51 -0.54 0.00 0.00 175.26 174.45 1wfu s ASP 60 N -2.15 5.27 0.47 -1.70 1.01 0.23 -4.78 116.67 115.02 1wfu s ASP 60 Ca 0.52 -0.04 0.31 0.00 0.71 0.00 0.00 52.55 54.05 1wfu s ASP 60 Cb -0.11 -1.90 1.29 0.00 1.01 0.00 0.00 42.92 43.21 1wfu s ASP 60 CO 0.18 0.14 1.92 1.55 0.21 0.00 0.00 175.17 179.17 1wfu h PRO 61 N 6.95 0.00 0.00 8.23 0.13 -1.96 0.98 132.00 146.32 1wfu h PRO 61 Ca -0.35 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.47 1wfu h PRO 61 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1wfu h PRO 61 CO 0.66 0.00 -2.17 0.36 -0.23 0.00 0.00 178.00 176.61 1wfu n LYS 62 N -2.84 0.81 -0.04 0.86 0.00 -1.26 -4.45 118.16 111.24 1wfu n LYS 62 Ca 0.01 0.08 0.12 0.00 -0.00 0.00 0.00 58.31 58.52 1wfu n LYS 62 Cb 0.27 -1.42 0.22 0.00 -0.00 0.00 0.00 35.03 34.10 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1wfu n MET 63 N -2.93 2.21 -2.63 -1.58 2.81 -1.20 -4.93 117.12 108.86 1wfu n MET 63 Ca -0.34 -1.77 -0.09 0.00 -1.81 0.00 0.00 57.70 53.69 1wfu n MET 63 Cb 0.95 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.97 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 1.10 -1.47 -4.34 2.03 1.44 0.34 -4.84 115.22 109.48 1wfu n HIS 64 Ca 0.16 0.15 -0.18 0.00 -2.01 0.00 0.00 57.72 55.84 1wfu n HIS 64 Cb 0.54 -1.01 -0.10 0.00 0.12 0.00 0.00 29.99 29.54 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 -1.96 2.25 0.24 4.39 0.15 -1.22 -4.82 113.70 112.72 1wfu s SER 65 Ca 0.18 -1.11 0.03 0.00 0.70 0.00 0.00 55.95 55.74 1wfu s SER 65 Cb -0.10 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1wfu s SER 65 CO 0.22 -0.34 0.38 -0.31 1.20 0.00 0.00 173.24 174.39 1wfu s TYR 66 N -3.18 3.47 -0.21 3.44 1.51 -1.26 0.77 117.35 121.89 1wfu s TYR 66 Ca 0.25 0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1wfu s TYR 66 Cb 0.03 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.30 1wfu s TYR 66 CO 0.07 0.39 0.46 0.20 -1.11 0.00 0.00 175.55 175.56 1wfu s GLY 67 N -3.79 -0.41 -0.50 0.71 0.00 0.44 -4.89 107.32 98.89 1wfu s GLY 67 Ca 0.36 1.65 -0.27 0.00 0.00 0.00 0.00 44.72 46.45 1wfu s GLY 67 CO 0.30 2.38 2.42 -0.62 0.00 0.00 0.00 173.10 177.57 1wfu n VAL 68 N 5.18 -0.02 0.08 1.40 0.31 -1.26 -1.27 118.33 122.75 1wfu n VAL 68 Ca -0.12 -0.67 -0.05 0.00 -0.01 0.00 0.00 64.34 63.49 1wfu n VAL 68 Cb 0.51 -2.52 -0.06 0.00 -0.91 0.00 0.00 33.84 30.86 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 7.65 1.59 -3.75 2.52 3.07 -1.07 -3.46 117.51 124.06 1wfu h ILE 69 Ca -0.24 -3.11 -0.16 0.00 1.55 0.00 0.00 64.86 62.89 1wfu h ILE 69 Cb 1.27 2.70 -0.22 0.00 -0.27 0.00 0.00 36.82 40.31 1wfu h ILE 69 CO 1.15 0.87 -0.61 -0.47 -1.05 0.00 0.00 178.15 178.05 1wfu s TYR 70 N -2.87 0.14 -0.22 0.16 5.04 -0.87 -5.02 117.35 113.70 1wfu s TYR 70 Ca 0.01 -0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 54.31 1wfu s TYR 70 Cb 0.10 -0.11 0.12 0.00 0.35 0.00 0.00 41.96 42.42 1wfu s TYR 70 CO 0.80 -0.21 0.38 -0.08 -1.34 0.00 0.00 175.55 175.10 1wfu s THR 71 N -1.27 -0.60 0.00 4.34 -1.32 -1.26 -0.87 115.64 114.66 1wfu s THR 71 Ca -0.14 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1wfu s THR 71 Cb -0.08 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1wfu s THR 71 CO 0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1wfu n GLY 72 N 5.37 1.06 0.14 6.08 0.00 -0.87 -5.01 105.19 111.96 1wfu n GLY 72 Ca -0.05 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.03 1.61 4.02 -1.26 -0.36 117.16 120.14 1wfu n TYR 73 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 1wfu n TYR 73 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.45 1wfu n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfu n ALA 74 N -0.75 -0.33 0.53 -0.72 0.00 -1.26 -4.79 120.51 113.19 1wfu n ALA 74 Ca 0.04 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.19 1wfu n ALA 74 Cb 0.22 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 1wfu n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wfu n THR 75 N -3.42 0.00 -4.26 0.00 -2.24 -1.26 -4.80 114.28 98.30 1wfu n THR 75 Ca 0.13 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 1wfu n THR 75 Cb 0.51 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.95 2.43 -0.26 -0.78 3.52 -1.26 -0.11 118.95 119.53 1wfu s ARG 76 Ca 0.02 -1.33 -0.26 0.00 -0.13 0.00 0.00 55.73 54.03 1wfu s ARG 76 Cb 0.13 -2.25 0.12 0.00 -1.56 0.00 0.00 34.95 31.39 1wfu s ARG 76 CO 0.76 0.37 0.99 -1.58 -0.81 0.00 0.00 175.30 175.03 1wfu s HIS 77 N -2.27 -0.50 -0.22 5.12 2.46 0.12 -4.96 115.29 115.04 1wfu s HIS 77 Ca 0.32 1.19 -0.01 0.00 0.47 0.00 0.00 55.06 57.03 1wfu s HIS 77 Cb -0.07 0.36 0.06 0.00 -0.13 0.00 0.00 32.58 32.80 1wfu s HIS 77 CO 0.21 -0.26 -0.01 0.08 -2.47 0.00 0.00 174.74 172.28 1wfu s VAL 78 N 0.08 1.06 -0.41 0.89 1.01 -1.26 0.97 120.40 122.75 1wfu s VAL 78 Ca 0.02 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1wfu s VAL 78 Cb -0.04 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1wfu s VAL 78 CO -0.04 -0.16 2.04 -0.69 0.00 0.00 0.00 175.10 176.24 1wfu s VAL 79 N 1.61 3.25 0.46 2.92 1.01 -0.48 -4.84 120.40 124.34 1wfu s VAL 79 Ca -0.03 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1wfu s VAL 79 Cb -0.18 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1wfu s VAL 79 CO -0.07 -0.35 0.88 -1.61 0.00 0.00 0.00 175.10 173.95 1wfu s GLU 80 N 6.70 3.86 -0.20 2.72 2.02 -1.26 -2.73 118.70 129.81 1wfu s GLU 80 Ca 0.85 0.72 -0.07 0.00 0.02 0.00 0.00 54.97 56.49 1wfu s GLU 80 Cb -0.21 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.77 1wfu s GLU 80 CO 0.29 -0.16 0.28 0.41 0.02 0.00 0.00 175.26 176.10 1wfu n GLY 81 N -1.46 -0.99 3.32 -1.39 0.00 -1.22 -5.02 105.19 98.42 1wfu n GLY 81 Ca 0.05 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.75 1.61 0.17 0.99 1.43 -0.97 -4.99 118.68 115.17 1wfu s LEU 82 Ca 0.12 -1.46 0.10 0.00 -1.03 0.00 0.00 54.13 51.86 1wfu s LEU 82 Cb -0.03 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 1wfu s LEU 82 CO 0.36 -0.81 -0.16 -1.61 0.23 0.00 0.00 176.35 174.37 1wfu s GLU 83 N -3.96 1.82 0.24 1.70 0.41 -1.26 -4.55 118.70 113.10 1wfu s GLU 83 Ca 0.37 -1.34 -0.30 0.00 -0.41 0.00 0.00 54.97 53.29 1wfu s GLU 83 Cb 0.07 -2.04 -0.09 0.00 -1.78 0.00 0.00 34.13 30.28 1wfu s GLU 83 CO 0.15 0.43 1.27 -1.25 -0.49 0.00 0.00 175.26 175.37 1wfu s PRO 84 N -2.66 4.42 -1.26 0.39 0.04 -1.12 -3.15 135.00 131.66 1wfu s PRO 84 Ca 0.22 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 1wfu s PRO 84 Cb -0.09 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1wfu s PRO 84 CO 0.12 -0.16 0.96 0.54 0.04 0.00 0.00 177.00 178.50 1wfu n ARG 85 N 1.97 -6.61 -5.08 4.56 5.12 -1.14 -4.94 116.66 110.54 1wfu n ARG 85 Ca 0.04 0.76 -0.29 0.00 -1.93 0.00 0.00 57.85 56.43 1wfu n ARG 85 Cb 0.43 -5.54 -0.16 0.00 -1.16 0.00 0.00 32.46 26.03 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 -3.25 1.77 0.22 0.55 2.01 -1.19 -4.92 115.64 110.82 1wfu s THR 86 Ca 0.48 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 1wfu s THR 86 Cb -0.21 -1.49 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 1wfu s THR 86 CO 0.59 0.50 0.58 -0.22 -0.69 0.00 0.00 174.62 175.38 1wfu s LEU 87 N -0.21 4.22 -0.04 4.42 2.96 -1.26 -1.70 118.68 127.07 1wfu s LEU 87 Ca -0.00 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1wfu s LEU 87 Cb -0.12 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1wfu s LEU 87 CO 0.02 -0.03 0.09 -0.31 -1.32 0.00 0.00 176.35 174.80 1wfu s TYR 88 N -1.71 -0.08 -0.13 5.38 1.51 0.64 -4.93 117.35 118.03 1wfu s TYR 88 Ca 0.45 0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 56.75 1wfu s TYR 88 Cb -0.13 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 1wfu s TYR 88 CO 0.20 -0.10 0.04 0.15 -1.11 0.00 0.00 175.55 174.73 1wfu s LYS 89 N 0.72 3.46 -0.00 -0.62 1.02 -1.26 -0.80 119.74 122.26 1wfu s LYS 89 Ca -0.06 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1wfu s LYS 89 Cb -0.08 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1wfu s LYS 89 CO -0.03 0.53 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.85 1wfu s PHE 90 N -0.38 0.28 -0.11 3.18 0.08 -1.08 -3.31 117.98 116.64 1wfu s PHE 90 Ca 0.09 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.11 1wfu s PHE 90 Cb -0.12 -0.20 -0.01 0.00 -0.57 0.00 0.00 43.02 42.13 1wfu s PHE 90 CO 0.02 -0.01 -0.19 -0.98 -0.10 0.00 0.00 175.22 173.96 1wfu s ARG 91 N 0.01 3.14 -0.22 0.44 1.70 -0.85 -1.77 118.95 121.40 1wfu s ARG 91 Ca 0.00 -0.78 -0.15 0.00 -0.47 0.00 0.00 55.73 54.32 1wfu s ARG 91 Cb -0.02 -2.44 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1wfu s ARG 91 CO -0.00 0.23 0.38 -1.17 -1.08 0.00 0.00 175.30 173.67 1wfu s LEU 92 N 0.25 4.12 0.03 -1.89 2.96 -1.26 -2.03 118.68 120.86 1wfu s LEU 92 Ca -0.13 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1wfu s LEU 92 Cb -0.16 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 1wfu s LEU 92 CO 0.07 -0.10 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.13 1wfu s LYS 93 N 1.49 2.33 0.03 1.98 2.20 0.15 0.79 119.74 128.71 1wfu s LYS 93 Ca 0.18 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1wfu s LYS 93 Cb -0.15 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 1wfu s LYS 93 CO 0.08 0.57 -0.05 0.14 -0.36 0.00 0.00 175.35 175.73 1wfu s VAL 94 N -0.98 0.33 -0.11 4.02 -7.23 -1.06 -1.46 120.40 113.91 1wfu s VAL 94 Ca 0.16 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1wfu s VAL 94 Cb -0.11 -0.41 0.04 0.00 0.56 0.00 0.00 36.38 36.46 1wfu s VAL 94 CO 0.07 -0.34 0.03 -0.89 -0.31 0.00 0.00 175.10 173.65 1wfu s THR 95 N -1.17 0.30 0.89 5.32 2.01 -1.12 -0.72 115.64 121.15 1wfu s THR 95 Ca -0.10 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 1wfu s THR 95 Cb -0.08 -0.62 0.07 0.00 0.01 0.00 0.00 72.50 71.87 1wfu s THR 95 CO -0.00 0.07 0.75 -1.20 -0.69 0.00 0.00 174.62 173.55 1wfu n SER 96 N 5.16 -0.82 0.00 3.53 7.64 0.29 -3.37 113.62 126.04 1wfu n SER 96 Ca -0.07 0.42 0.06 0.00 1.01 0.00 0.00 58.87 60.29 1wfu n SER 96 Cb 0.49 -1.33 0.33 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 -2.56 0.48 -0.08 1.43 -0.04 -1.26 -2.42 135.00 130.56 1wfu n PRO 97 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1wfu n PRO 97 Cb 0.52 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.86 1.77 0.00 3.54 7.64 -1.26 -5.03 113.62 119.42 1wfu n SER 98 Ca 0.08 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wfu n SER 98 Cb 0.04 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 2.26 2.37 3.58 0.23 0.00 -1.02 -5.14 105.19 107.48 1wfu n GLY 99 Ca -0.26 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 0.34 -3.60 1.61 1.02 -1.26 -4.65 120.64 114.10 1wfu n GLU 100 Ca 0.00 0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1wfu n GLU 100 Cb 0.00 -2.14 -0.07 0.00 -0.02 0.00 0.00 31.44 29.21 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 -1.94 -0.61 0.22 -0.32 -0.85 -1.26 0.10 117.35 112.69 1wfu s TYR 101 Ca 0.70 1.23 0.02 0.00 -0.52 0.00 0.00 57.07 58.51 1wfu s TYR 101 Cb -0.33 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.31 1wfu s TYR 101 CO 0.53 -0.48 0.08 0.39 -1.52 0.00 0.00 175.55 174.55 1wfu n GLU 102 N 1.62 0.76 -4.05 -3.49 -0.58 0.10 -4.87 120.64 110.13 1wfu n GLU 102 Ca -0.17 -1.83 -0.13 0.00 -0.42 0.00 0.00 57.16 54.61 1wfu n GLU 102 Cb 0.56 0.99 -0.12 0.00 -0.57 0.00 0.00 31.44 32.30 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 -2.35 0.46 0.33 -0.32 1.51 -1.26 -2.57 117.35 113.14 1wfu s TYR 103 Ca 0.11 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1wfu s TYR 103 Cb 0.01 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.53 1wfu s TYR 103 CO 0.08 -0.07 0.57 -1.54 -1.11 0.00 0.00 175.55 173.47 1wfu s SER 104 N -0.97 6.35 -0.05 2.29 1.04 0.24 -4.19 113.70 118.42 1wfu s SER 104 Ca -0.07 0.60 -0.30 0.00 0.48 0.00 0.00 55.95 56.66 1wfu s SER 104 Cb -0.07 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 1wfu s SER 104 CO -0.00 -0.27 1.49 -2.16 0.98 0.00 0.00 173.24 173.27 1wfu s PRO 105 N -4.02 4.23 0.12 4.02 0.04 -1.26 -4.37 135.00 133.76 1wfu s PRO 105 Ca 0.42 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.20 1wfu s PRO 105 Cb -0.10 -3.77 -0.15 0.00 0.04 0.00 0.00 34.50 30.52 1wfu s PRO 105 CO 0.34 -0.71 0.60 0.28 0.04 0.00 0.00 177.00 177.55 1wfu n VAL 106 N 5.11 1.19 -3.92 -0.36 0.31 -1.26 -4.75 118.33 114.65 1wfu n VAL 106 Ca 0.15 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 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 -0.59 1.67 -0.10 2.52 -7.23 -0.73 -4.94 120.40 111.00 1wfu s VAL 107 Ca 0.63 -1.75 -0.23 0.00 -1.81 0.00 0.00 61.98 58.81 1wfu s VAL 107 Cb -0.90 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1wfu s VAL 107 CO 0.49 -0.47 0.70 -0.94 -0.31 0.00 0.00 175.10 174.57 1wfu s SER 108 N 1.24 6.93 -0.01 4.85 1.04 -1.26 -2.63 113.70 123.87 1wfu s SER 108 Ca 0.06 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.63 1wfu s SER 108 Cb -0.18 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1wfu s SER 108 CO -0.12 -0.17 -0.04 0.68 0.98 0.00 0.00 173.24 174.56 1wfu s VAL 109 N 1.14 0.36 -0.19 5.02 -7.23 0.02 -4.91 120.40 114.61 1wfu s VAL 109 Ca 0.36 -0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 60.30 1wfu s VAL 109 Cb -0.17 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1wfu s VAL 109 CO 0.16 0.12 0.05 0.00 -0.31 0.00 0.00 175.10 175.12 1wfu s ALA 110 N 0.11 3.32 1.34 1.32 0.00 -1.26 -0.26 121.76 126.33 1wfu s ALA 110 Ca -0.01 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1wfu s ALA 110 Cb -0.04 -1.91 0.32 0.00 0.00 0.00 0.00 23.12 21.49 1wfu s ALA 110 CO -0.00 0.06 0.96 0.25 0.00 0.00 0.00 175.76 177.03 1wfu n THR 111 N 3.79 0.00 -2.71 0.00 -2.24 -0.69 -4.91 114.28 107.53 1wfu n THR 111 Ca -0.16 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 1wfu n THR 111 Cb 0.52 -1.11 0.03 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.55 2.89 0.46 4.28 -4.23 -1.25 -4.02 115.64 111.21 1wfu s THR 112 Ca 0.67 -0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 1wfu s THR 112 Cb -0.09 -3.08 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 1wfu s THR 112 CO 0.53 -0.05 0.98 0.00 -0.54 0.00 0.00 174.62 175.54 1wfu s ARG 113 N -4.72 4.05 -0.02 3.99 1.04 -1.26 -2.89 118.95 119.15 1wfu s ARG 113 Ca 0.56 1.16 -0.31 0.00 -1.04 0.00 0.00 55.73 56.09 1wfu s ARG 113 Cb -0.10 -2.15 -0.10 0.00 -2.04 0.00 0.00 34.95 30.56 1wfu s ARG 113 CO 0.38 -0.19 1.96 0.39 -0.04 0.00 0.00 175.30 177.80 1wfu n GLU 114 N -0.90 2.59 -0.09 3.89 1.02 -1.26 -4.70 120.64 121.19 1wfu n GLU 114 Ca 0.08 0.94 -0.10 0.00 -0.02 0.00 0.00 57.16 58.06 1wfu n GLU 114 Cb 0.54 -2.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.03 1wfu n GLU 114 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfu n SER 115 N 7.43 1.91 0.00 1.62 7.64 -1.26 -5.13 113.62 125.83 1wfu n SER 115 Ca 0.21 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1wfu n SER 115 Cb 0.37 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1wfu n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 116 N 1.51 -0.77 3.64 0.23 0.00 -1.26 -5.17 105.19 103.36 1wfu n GLY 116 Ca -0.16 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.31 -0.24 1.61 0.04 -1.26 -5.03 135.00 127.81 1wfu s PRO 117 Ca 0.00 0.27 -0.14 0.00 0.04 0.00 0.00 61.00 61.17 1wfu s PRO 117 Cb 0.00 -1.67 -0.16 0.00 0.04 0.00 0.00 34.50 32.71 1wfu s PRO 117 CO 0.00 -3.17 -0.11 0.45 0.04 0.00 0.00 177.00 174.21 1wfu n SER 118 N -4.44 1.95 -4.69 6.66 2.88 -1.26 -4.91 113.62 109.81 1wfu n SER 118 Ca 0.08 0.29 -0.42 0.00 -1.33 0.00 0.00 58.87 57.49 1wfu n SER 118 Cb 0.58 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 1wfu n SER 118 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfu s SER 119 N -7.14 6.99 0.00 -3.46 0.01 -1.26 -5.34 113.70 103.50 1wfu s SER 119 Ca -0.34 1.92 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1wfu s SER 119 Cb 0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1wfu s SER 119 CO 0.56 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.20