#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfu h SER 2 N 0.00 -0.16 -0.90 1.61 0.87 -2.14 -3.47 113.55 109.36 1wfu h SER 2 Ca 0.00 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 1wfu h SER 2 Cb 0.00 0.04 -0.21 0.00 -0.44 0.00 0.00 62.40 61.79 1wfu h SER 2 CO 0.00 -0.01 -0.06 -0.55 -0.53 0.00 0.00 176.83 175.68 1wfu s SER 3 N -3.41 -0.97 -0.32 6.23 0.15 -1.26 -5.13 113.70 108.99 1wfu s SER 3 Ca -0.03 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1wfu s SER 3 Cb 0.00 1.87 0.19 0.00 -1.71 0.00 0.00 66.02 66.38 1wfu s SER 3 CO 0.08 -0.18 0.77 -0.83 1.20 0.00 0.00 173.24 174.28 1wfu s GLY 4 N 2.84 -1.22 -0.30 9.45 0.00 -1.26 -5.14 107.32 111.70 1wfu s GLY 4 Ca 0.08 1.18 -0.17 0.00 0.00 0.00 0.00 44.72 45.81 1wfu s GLY 4 CO -0.17 3.87 1.15 -0.45 0.00 0.00 0.00 173.10 177.49 1wfu s SER 5 N 2.55 -0.30 0.10 1.64 0.15 -1.26 -5.18 113.70 111.40 1wfu s SER 5 Ca 0.16 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.26 1wfu s SER 5 Cb -0.05 1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 65.56 1wfu s SER 5 CO -0.20 -0.06 -0.14 -0.55 1.20 0.00 0.00 173.24 173.49 1wfu s SER 6 N 2.29 1.90 0.00 5.45 0.15 -1.26 -5.10 113.70 117.13 1wfu s SER 6 Ca -0.01 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1wfu s SER 6 Cb -0.04 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1wfu s SER 6 CO -0.16 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1wfu n GLY 7 N 0.86 -0.02 2.50 9.45 0.00 -1.26 -5.07 105.19 111.66 1wfu n GLY 7 Ca -0.18 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 1wfu n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfu n MET 8 N 0.00 2.47 -3.59 1.61 2.00 -1.26 -5.08 117.12 113.27 1wfu n MET 8 Ca 0.00 -3.80 -0.29 0.00 0.00 0.00 0.00 57.70 53.61 1wfu n MET 8 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 33.22 31.33 1wfu n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wfu s GLU 9 N -3.63 3.58 1.24 0.03 2.02 -1.26 -5.10 118.70 115.58 1wfu s GLU 9 Ca 0.37 -0.17 -0.21 0.00 0.02 0.00 0.00 54.97 54.98 1wfu s GLU 9 Cb 0.38 -2.78 0.30 0.00 0.10 0.00 0.00 34.13 32.13 1wfu s GLU 9 CO -0.02 0.36 1.11 -1.25 0.02 0.00 0.00 175.26 175.49 1wfu s PRO 10 N -3.22 -1.54 -0.03 0.39 0.04 -1.26 -5.05 135.00 124.33 1wfu s PRO 10 Ca 0.41 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.25 1wfu s PRO 10 Cb -0.11 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 1wfu s PRO 10 CO 0.28 -3.90 -0.04 0.72 0.04 0.00 0.00 177.00 174.10 1wfu n HIS 11 N -4.87 0.13 0.00 0.56 8.25 -1.26 -4.88 115.22 113.16 1wfu n HIS 11 Ca 0.15 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1wfu n HIS 11 Cb 0.60 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1wfu n HIS 11 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1wfu n LYS 12 N -2.72 1.88 -2.99 -0.41 0.00 -1.26 -5.03 118.16 107.62 1wfu n LYS 12 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.90 1wfu n LYS 12 Cb 0.06 -0.96 -0.05 0.00 -0.00 0.00 0.00 35.03 34.07 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 -1.88 4.60 -0.15 0.58 1.01 -1.26 -5.06 120.40 118.25 1wfu s VAL 13 Ca 0.00 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.61 1wfu s VAL 13 Cb 0.00 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wfu s VAL 13 CO 0.00 0.43 -0.02 -0.69 0.00 0.00 0.00 175.10 174.82 1wfu s VAL 14 N -0.48 0.76 0.93 2.92 1.01 -1.26 -4.58 120.40 119.69 1wfu s VAL 14 Ca 0.37 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1wfu s VAL 14 Cb -0.21 -1.01 0.15 0.00 0.00 0.00 0.00 36.38 35.31 1wfu s VAL 14 CO 0.24 0.09 1.09 -2.16 0.00 0.00 0.00 175.10 174.36 1wfu s PRO 15 N 1.79 1.02 1.18 2.72 0.04 -1.26 -5.04 135.00 135.45 1wfu s PRO 15 Ca 0.02 0.74 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 1wfu s PRO 15 Cb -0.15 -1.79 0.28 0.00 0.04 0.00 0.00 34.50 32.88 1wfu s PRO 15 CO -0.07 -2.38 1.10 -0.48 0.04 0.00 0.00 177.00 175.21 1wfu s LEU 16 N -6.29 0.76 0.35 -3.56 -0.00 -1.26 -4.95 118.68 103.73 1wfu s LEU 16 Ca 0.64 0.72 -0.28 0.00 -0.00 0.00 0.00 54.13 55.20 1wfu s LEU 16 Cb -0.18 -2.50 -0.11 0.00 -0.00 0.00 0.00 46.19 43.40 1wfu s LEU 16 CO 0.57 -4.03 1.46 -0.94 -0.00 0.00 0.00 176.35 173.40 1wfu s SER 17 N -3.80 6.45 0.27 1.48 1.04 -1.26 -4.89 113.70 113.00 1wfu s SER 17 Ca 0.70 2.95 -0.30 0.00 0.48 0.00 0.00 55.95 59.78 1wfu s SER 17 Cb -0.11 -2.66 -0.11 0.00 0.10 0.00 0.00 66.02 63.24 1wfu s SER 17 CO 0.56 -0.80 1.52 -0.54 0.98 0.00 0.00 173.24 174.97 1wfu s LYS 18 N -1.80 4.19 0.51 4.02 3.01 -1.26 -4.88 119.74 123.53 1wfu s LYS 18 Ca 0.53 2.45 -0.21 0.00 -1.01 0.00 0.00 55.97 57.73 1wfu s LYS 18 Cb -0.45 -3.06 -0.06 0.00 -1.01 0.00 0.00 37.83 33.24 1wfu s LYS 18 CO 0.59 -0.53 1.14 -1.25 0.51 0.00 0.00 175.35 175.80 1wfu s PRO 19 N -0.44 3.50 0.45 -1.68 0.04 -1.26 -5.02 135.00 130.59 1wfu s PRO 19 Ca 0.61 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 1wfu s PRO 19 Cb -0.45 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1wfu s PRO 19 CO 0.46 -0.74 0.76 -1.01 0.04 0.00 0.00 177.00 176.51 1wfu s HIS 20 N -1.69 3.54 0.30 0.56 3.76 -1.26 -4.21 115.29 116.28 1wfu s HIS 20 Ca 0.70 0.83 -0.29 0.00 -0.15 0.00 0.00 55.06 56.14 1wfu s HIS 20 Cb -0.26 -2.30 -0.10 0.00 1.11 0.00 0.00 32.58 31.04 1wfu s HIS 20 CO 0.30 -0.21 1.24 -1.25 -0.85 0.00 0.00 174.74 173.96 1wfu s PRO 21 N -4.52 4.46 0.34 8.40 0.04 -1.26 -4.84 135.00 137.61 1wfu s PRO 21 Ca 0.48 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 1wfu s PRO 21 Cb -0.10 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 1wfu s PRO 21 CO 0.42 -0.06 1.21 -1.25 0.04 0.00 0.00 177.00 177.36 1wfu s PRO 22 N -1.47 4.33 0.43 0.56 0.04 -1.26 -4.95 135.00 132.67 1wfu s PRO 22 Ca 0.48 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 1wfu s PRO 22 Cb -0.37 -2.97 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1wfu s PRO 22 CO 0.47 -0.14 0.79 0.08 0.04 0.00 0.00 177.00 178.25 1wfu s VAL 23 N -1.23 4.79 -0.36 -0.36 1.01 -0.98 -4.85 120.40 118.42 1wfu s VAL 23 Ca 0.50 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.00 1wfu s VAL 23 Cb -0.35 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1wfu s VAL 23 CO 0.46 -0.60 0.16 -0.69 0.00 0.00 0.00 175.10 174.42 1wfu s VAL 24 N -2.47 3.95 0.00 2.92 1.01 -1.26 -1.20 120.40 123.35 1wfu s VAL 24 Ca 0.51 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1wfu s VAL 24 Cb -0.10 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wfu s VAL 24 CO 0.34 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1wfu n GLY 25 N 4.85 1.77 3.69 4.51 0.00 -1.13 -4.86 105.19 114.02 1wfu n GLY 25 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 4.40 -0.62 1.61 2.20 -1.26 -4.96 119.74 121.10 1wfu s LYS 26 Ca 0.00 1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 56.79 1wfu s LYS 26 Cb 0.00 -3.53 0.16 0.00 -1.51 0.00 0.00 37.83 32.95 1wfu s LYS 26 CO 0.00 -0.24 0.44 0.08 -0.36 0.00 0.00 175.35 175.27 1wfu s VAL 27 N 1.78 3.70 0.01 4.02 1.01 -1.26 -1.65 120.40 128.01 1wfu s VAL 27 Ca 0.44 -2.95 -0.00 0.00 0.00 0.00 0.00 61.98 59.47 1wfu s VAL 27 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1wfu s VAL 27 CO 0.17 -0.87 0.11 0.42 0.00 0.00 0.00 175.10 174.93 1wfu s THR 28 N -0.05 4.88 -2.00 3.92 -4.23 -0.93 -4.60 115.64 112.63 1wfu s THR 28 Ca 0.17 -0.41 0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1wfu s THR 28 Cb -0.20 -3.27 0.38 0.00 1.34 0.00 0.00 72.50 70.75 1wfu s THR 28 CO -0.03 0.30 1.25 0.00 -0.54 0.00 0.00 174.62 175.59 1wfu n HIS 29 N 0.97 0.00 -0.00 3.99 1.44 -1.26 -2.47 115.22 117.89 1wfu n HIS 29 Ca -0.11 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1wfu n HIS 29 Cb 0.52 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 1wfu n HIS 29 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1wfu n HIS 30 N -0.86 0.00 -4.09 -1.40 8.25 -1.26 -1.87 115.22 113.98 1wfu n HIS 30 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 1wfu n HIS 30 Cb 0.05 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 1wfu n HIS 30 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wfu s SER 31 N -2.71 0.57 -0.18 0.41 0.15 -1.03 0.12 113.70 111.03 1wfu s SER 31 Ca -0.00 -1.34 -0.04 0.00 0.70 0.00 0.00 55.95 55.26 1wfu s SER 31 Cb 0.00 0.59 0.08 0.00 -1.71 0.00 0.00 66.02 64.99 1wfu s SER 31 CO 0.04 -1.17 0.18 -0.63 1.20 0.00 0.00 173.24 172.86 1wfu s ILE 32 N -3.50 -0.25 0.33 6.45 1.01 -1.10 -2.20 121.20 121.93 1wfu s ILE 32 Ca 0.30 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.68 1wfu s ILE 32 Cb 0.01 -0.61 -0.10 0.00 0.01 0.00 0.00 42.46 41.77 1wfu s ILE 32 CO 0.16 -0.19 0.83 -0.70 0.00 0.00 0.00 174.94 175.04 1wfu s GLU 33 N 2.27 4.22 0.03 2.79 2.12 -0.66 -0.85 118.70 128.63 1wfu s GLU 33 Ca 0.05 0.95 -0.06 0.00 0.36 0.00 0.00 54.97 56.27 1wfu s GLU 33 Cb -0.15 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 1wfu s GLU 33 CO -0.11 0.18 0.12 -0.51 -0.54 0.00 0.00 175.26 174.40 1wfu s LEU 34 N -2.67 1.68 -0.21 2.70 1.43 0.19 -2.82 118.68 118.99 1wfu s LEU 34 Ca 0.53 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1wfu s LEU 34 Cb -0.13 0.68 0.10 0.00 0.03 0.00 0.00 46.19 46.88 1wfu s LEU 34 CO 0.18 -0.50 0.42 -0.72 0.23 0.00 0.00 176.35 175.96 1wfu s TYR 35 N -2.42 -0.84 -0.37 0.29 1.13 -0.34 -0.27 117.35 114.53 1wfu s TYR 35 Ca -0.06 1.40 0.05 0.00 -1.41 0.00 0.00 57.07 57.05 1wfu s TYR 35 Cb -0.02 0.26 0.46 0.00 -1.10 0.00 0.00 41.96 41.56 1wfu s TYR 35 CO -0.04 -0.55 1.35 -2.67 -2.51 0.00 0.00 175.55 171.14 1wfu n TRP 36 N 5.39 2.86 1.57 -3.49 2.14 -1.00 -2.31 117.44 122.60 1wfu n TRP 36 Ca -0.07 -2.39 0.00 0.00 2.07 0.00 0.00 57.50 57.11 1wfu n TRP 36 Cb 0.50 -0.55 0.00 0.00 -0.81 0.00 0.00 31.31 30.44 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 -0.75 0.40 -0.78 -0.67 2.03 -1.26 -3.57 116.55 111.95 1wfu n ASP 37 Ca 0.48 -1.97 0.04 0.00 0.52 0.00 0.00 54.79 53.86 1wfu n ASP 37 Cb 0.90 -0.20 0.15 0.00 -0.72 0.00 0.00 41.12 41.26 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 -0.30 2.19 0.03 -2.67 7.99 -1.26 -3.96 117.00 119.01 1wfu n LEU 38 Ca 0.00 -1.10 0.00 0.00 -0.01 0.00 0.00 56.01 54.90 1wfu n LEU 38 Cb 0.10 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1wfu n LEU 38 CO 0.00 0.41 0.00 -0.62 -1.51 0.00 0.00 177.39 175.67 1wfu n GLU 39 N 0.35 0.00 -0.56 3.23 1.02 -1.23 -4.78 120.64 118.66 1wfu n GLU 39 Ca 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1wfu n GLU 39 Cb 0.42 -0.21 -0.03 0.00 -0.02 0.00 0.00 31.44 31.61 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfu n GLN 40 N -2.94 1.12 -0.16 3.49 -0.00 -1.26 -4.37 117.38 113.25 1wfu n GLN 40 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 1wfu n GLN 40 Cb 0.00 -1.17 0.06 0.00 -0.00 0.00 0.00 30.24 29.13 1wfu n GLN 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1wfu n LYS 41 N 1.67 1.55 -3.93 2.61 0.00 -1.25 -4.85 118.16 113.96 1wfu n LYS 41 Ca 0.07 -0.52 -0.31 0.00 -0.00 0.00 0.00 58.31 57.54 1wfu n LYS 41 Cb 0.55 -1.53 -0.04 0.00 -0.00 0.00 0.00 35.03 34.00 1wfu n LYS 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1wfu s GLU 42 N -1.13 3.39 1.02 -1.58 -1.05 -1.26 -5.10 118.70 112.99 1wfu s GLU 42 Ca 0.09 -0.45 -0.14 0.00 -0.15 0.00 0.00 54.97 54.32 1wfu s GLU 42 Cb 0.07 -3.02 0.21 0.00 -0.44 0.00 0.00 34.13 30.96 1wfu s GLU 42 CO 0.02 0.61 0.48 0.36 0.95 0.00 0.00 175.26 177.69 1wfu n LYS 43 N 0.38 -1.95 -2.41 -4.83 2.85 -1.26 -4.95 118.16 105.99 1wfu n LYS 43 Ca -0.06 -0.81 -0.23 0.00 -1.05 0.00 0.00 58.31 56.17 1wfu n LYS 43 Cb 0.51 -1.45 0.01 0.00 -0.65 0.00 0.00 35.03 33.46 1wfu n LYS 43 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1wfu n ARG 44 N -2.11 3.11 -0.30 -1.58 0.00 -1.26 -4.90 116.66 109.62 1wfu n ARG 44 Ca 0.08 -4.22 0.06 0.00 -0.00 0.00 0.00 57.85 53.76 1wfu n ARG 44 Cb 0.33 -2.10 0.13 0.00 -0.00 0.00 0.00 32.46 30.82 1wfu n ARG 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1wfu n GLN 45 N -0.49 -0.07 -2.19 2.89 6.02 -1.26 -4.44 117.38 117.83 1wfu n GLN 45 Ca 0.35 1.29 -0.24 0.00 -0.01 0.00 0.00 57.00 58.39 1wfu n GLN 45 Cb 0.76 -1.94 0.15 0.00 1.02 0.00 0.00 30.24 30.23 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfu n GLY 46 N -1.51 -0.24 3.63 1.08 0.00 -1.26 -5.09 105.19 101.80 1wfu n GLY 46 Ca 0.14 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -5.30 -0.41 0.28 1.61 0.04 -1.26 -4.85 135.00 125.11 1wfu s PRO 47 Ca 0.67 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1wfu s PRO 47 Cb -0.03 -1.67 0.54 0.00 0.04 0.00 0.00 34.50 33.38 1wfu s PRO 47 CO 0.45 -3.23 1.84 0.37 0.04 0.00 0.00 177.00 176.48 1wfu h GLN 48 N -2.24 0.99 -0.14 4.56 4.15 -1.98 0.64 115.11 121.08 1wfu h GLN 48 Ca -0.50 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 58.90 1wfu h GLN 48 Cb 1.32 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1wfu h GLN 48 CO 0.47 0.66 0.48 0.93 -1.93 0.00 0.00 178.83 179.43 1wfu h GLU 49 N 1.02 0.00 -0.89 1.69 5.08 -2.02 0.58 114.58 120.04 1wfu h GLU 49 Ca 0.49 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.66 1wfu h GLU 49 Cb 0.44 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 1wfu h GLU 49 CO -0.25 0.00 0.24 1.04 -1.00 0.00 0.00 179.01 179.04 1wfu n GLN 50 N -3.05 2.46 -3.64 2.33 1.13 0.22 -4.91 117.38 111.92 1wfu n GLN 50 Ca 0.02 -1.91 -0.22 0.00 -1.94 0.00 0.00 57.00 52.95 1wfu n GLN 50 Cb 0.56 -1.84 -0.01 0.00 0.11 0.00 0.00 30.24 29.06 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 -2.07 3.38 -0.04 1.08 0.52 0.20 -4.97 118.94 117.04 1wfu s TRP 51 Ca 0.35 0.06 -0.10 0.00 0.02 0.00 0.00 56.10 56.43 1wfu s TRP 51 Cb 0.28 -1.79 -0.05 0.00 -1.15 0.00 0.00 33.47 30.76 1wfu s TRP 51 CO 0.08 0.21 0.28 -0.51 0.02 0.00 0.00 176.95 177.02 1wfu s LEU 52 N -4.15 4.42 0.29 2.99 1.43 -1.26 -4.56 118.68 117.84 1wfu s LEU 52 Ca 0.39 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 1wfu s LEU 52 Cb -0.09 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 1wfu s LEU 52 CO 0.32 0.34 0.71 -0.60 0.23 0.00 0.00 176.35 177.35 1wfu s ARG 53 N -1.21 4.02 -0.16 1.70 3.52 -1.23 -4.73 118.95 120.86 1wfu s ARG 53 Ca 0.21 0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 56.43 1wfu s ARG 53 Cb -0.14 -2.54 0.05 0.00 -1.56 0.00 0.00 34.95 30.76 1wfu s ARG 53 CO 0.10 0.22 0.05 -0.06 -0.81 0.00 0.00 175.30 174.81 1wfu s PHE 54 N -1.88 0.61 -0.21 5.12 0.08 -0.68 -3.28 117.98 117.74 1wfu s PHE 54 Ca 0.51 -0.49 -0.03 0.00 0.12 0.00 0.00 56.93 57.04 1wfu s PHE 54 Cb -0.11 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1wfu s PHE 54 CO 0.18 -0.51 -0.07 -1.12 -0.10 0.00 0.00 175.22 173.61 1wfu s SER 55 N 2.00 4.16 -0.17 1.36 0.01 -0.80 -2.95 113.70 117.31 1wfu s SER 55 Ca 0.01 -0.41 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 1wfu s SER 55 Cb -0.16 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1wfu s SER 55 CO -0.08 0.00 0.09 -0.63 0.41 0.00 0.00 173.24 173.03 1wfu s ILE 56 N 1.33 5.03 0.21 1.44 -1.09 -0.44 -1.61 121.20 126.07 1wfu s ILE 56 Ca 0.04 0.05 0.10 0.00 -2.23 0.00 0.00 60.65 58.60 1wfu s ILE 56 Cb -0.14 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 1wfu s ILE 56 CO -0.03 0.50 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.38 1wfu s GLU 57 N -0.01 1.44 -0.04 2.79 2.02 -1.03 -0.74 118.70 123.12 1wfu s GLU 57 Ca 0.07 -1.58 0.03 0.00 0.02 0.00 0.00 54.97 53.52 1wfu s GLU 57 Cb -0.12 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.65 1wfu s GLU 57 CO 0.00 0.28 -0.13 -1.83 0.02 0.00 0.00 175.26 173.60 1wfu s GLU 58 N -3.22 1.45 0.27 1.61 -1.05 -0.62 -1.74 118.70 115.41 1wfu s GLU 58 Ca 0.22 -0.46 -0.00 0.00 -0.15 0.00 0.00 54.97 54.58 1wfu s GLU 58 Cb -0.04 -1.28 -0.04 0.00 -0.44 0.00 0.00 34.13 32.33 1wfu s GLU 58 CO 0.09 0.16 0.47 -2.00 0.95 0.00 0.00 175.26 174.94 1wfu s GLU 59 N 0.19 3.52 -0.12 -4.83 2.12 -1.17 -1.38 118.70 117.03 1wfu s GLU 59 Ca -0.05 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1wfu s GLU 59 Cb -0.11 -2.75 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 1wfu s GLU 59 CO 0.02 0.28 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.37 1wfu s ASP 60 N -3.55 3.98 0.44 -1.70 1.01 0.10 -4.48 116.67 112.48 1wfu s ASP 60 Ca 0.39 -0.33 0.30 0.00 0.71 0.00 0.00 52.55 53.63 1wfu s ASP 60 Cb -0.10 -1.55 1.24 0.00 1.01 0.00 0.00 42.92 43.52 1wfu s ASP 60 CO 0.32 0.18 1.89 1.55 0.21 0.00 0.00 175.17 179.31 1wfu h PRO 61 N 6.61 0.00 0.00 8.23 0.13 -1.94 1.05 132.00 146.08 1wfu h PRO 61 Ca -0.27 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.59 1wfu h PRO 61 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1wfu h PRO 61 CO 0.55 0.00 -2.02 0.36 -0.23 0.00 0.00 178.00 176.66 1wfu n LYS 62 N -2.75 1.02 0.00 0.86 0.00 -1.26 -4.49 118.16 111.54 1wfu n LYS 62 Ca 0.01 0.05 0.12 0.00 -0.00 0.00 0.00 58.31 58.49 1wfu n LYS 62 Cb 0.27 -1.37 0.15 0.00 -0.00 0.00 0.00 35.03 34.08 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 -2.80 0.87 -2.86 -1.58 2.81 -1.20 -4.94 117.12 107.42 1wfu n MET 63 Ca -0.28 -0.65 -0.08 0.00 -1.81 0.00 0.00 57.70 54.89 1wfu n MET 63 Cb 0.90 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.91 1wfu n MET 63 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wfu n HIS 64 N -0.50 -1.84 -4.34 2.03 8.25 0.36 -4.87 115.22 114.31 1wfu n HIS 64 Ca 0.10 0.12 -0.20 0.00 -0.26 0.00 0.00 57.72 57.48 1wfu n HIS 64 Cb 0.40 -1.15 -0.11 0.00 1.12 0.00 0.00 29.99 30.25 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 -2.22 2.64 0.44 0.41 0.15 -1.24 -4.83 113.70 109.05 1wfu s SER 65 Ca 0.15 -0.93 0.08 0.00 0.70 0.00 0.00 55.95 55.95 1wfu s SER 65 Cb -0.09 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1wfu s SER 65 CO 0.18 -0.09 0.53 -0.31 1.20 0.00 0.00 173.24 174.76 1wfu s TYR 66 N -2.44 2.62 -0.29 3.44 1.51 -1.26 -0.72 117.35 120.21 1wfu s TYR 66 Ca 0.19 -0.47 -0.14 0.00 -1.01 0.00 0.00 57.07 55.64 1wfu s TYR 66 Cb -0.04 -2.30 0.13 0.00 -0.11 0.00 0.00 41.96 39.65 1wfu s TYR 66 CO 0.07 -0.41 0.83 0.20 -1.11 0.00 0.00 175.55 175.13 1wfu s GLY 67 N -4.32 -0.38 -0.44 0.71 0.00 -0.48 -4.90 107.32 97.51 1wfu s GLY 67 Ca 0.53 2.76 -0.27 0.00 0.00 0.00 0.00 44.72 47.74 1wfu s GLY 67 CO 0.32 2.86 2.39 -0.62 0.00 0.00 0.00 173.10 178.04 1wfu n VAL 68 N 4.64 -0.00 0.05 1.40 0.31 -1.26 -1.58 118.33 121.88 1wfu n VAL 68 Ca -0.15 -0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 63.35 1wfu n VAL 68 Cb 0.54 -2.73 -0.13 0.00 -0.91 0.00 0.00 33.84 30.61 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 7.60 1.40 -3.68 2.52 3.07 -1.27 -3.47 117.51 123.69 1wfu h ILE 69 Ca -0.27 -3.11 -0.19 0.00 1.55 0.00 0.00 64.86 62.84 1wfu h ILE 69 Cb 1.27 2.76 -0.24 0.00 -0.27 0.00 0.00 36.82 40.33 1wfu h ILE 69 CO 1.12 0.84 -0.64 -0.47 -1.05 0.00 0.00 178.15 177.95 1wfu s TYR 70 N -2.66 0.04 -0.23 0.16 5.04 -0.99 -5.02 117.35 113.69 1wfu s TYR 70 Ca -0.03 -0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.49 1wfu s TYR 70 Cb 0.09 -0.05 0.12 0.00 0.35 0.00 0.00 41.96 42.47 1wfu s TYR 70 CO 0.83 -0.12 0.37 -0.08 -1.34 0.00 0.00 175.55 175.21 1wfu s THR 71 N -0.62 -0.58 0.00 4.34 -1.32 -1.26 -1.33 115.64 114.87 1wfu s THR 71 Ca -0.07 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1wfu s THR 71 Cb -0.04 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1wfu s THR 71 CO 0.00 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1wfu n GLY 72 N 5.36 1.76 0.21 6.08 0.00 -1.15 -5.02 105.19 112.43 1wfu n GLY 72 Ca -0.05 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.57 1.61 4.02 -1.26 -1.69 117.16 117.27 1wfu n TYR 73 Ca 0.00 -1.09 -0.24 0.00 -0.01 0.00 0.00 57.90 56.56 1wfu n TYR 73 Cb 0.00 -0.17 0.12 0.00 -0.02 0.00 0.00 39.34 39.27 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 -2.89 3.63 0.00 -0.72 0.00 -1.26 -4.91 121.76 115.60 1wfu s ALA 74 Ca 0.33 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1wfu s ALA 74 Cb 0.30 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1wfu s ALA 74 CO 0.01 -1.63 0.00 0.25 0.00 0.00 0.00 175.76 174.39 1wfu n THR 75 N -2.95 0.00 -3.13 0.00 -2.24 -1.26 -4.69 114.28 100.00 1wfu n THR 75 Ca 0.16 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 1wfu n THR 75 Cb 0.61 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.87 4.28 -0.28 -0.78 3.52 -1.26 -2.37 118.95 120.18 1wfu s ARG 76 Ca 0.00 0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 1wfu s ARG 76 Cb 0.00 -3.01 0.10 0.00 -1.56 0.00 0.00 34.95 30.48 1wfu s ARG 76 CO 0.00 0.47 0.66 -1.58 -0.81 0.00 0.00 175.30 174.04 1wfu s HIS 77 N -1.39 -1.17 -0.33 5.12 2.46 0.63 -4.98 115.29 115.64 1wfu s HIS 77 Ca 0.39 2.19 0.03 0.00 0.47 0.00 0.00 55.06 58.14 1wfu s HIS 77 Cb -0.18 0.69 0.10 0.00 -0.13 0.00 0.00 32.58 33.06 1wfu s HIS 77 CO 0.21 -0.58 0.04 0.54 -2.47 0.00 0.00 174.74 172.48 1wfu s VAL 78 N 2.19 2.12 -0.61 0.89 0.11 -1.26 0.56 120.40 124.41 1wfu s VAL 78 Ca -0.08 -2.18 -0.32 0.00 -2.93 0.00 0.00 61.98 56.47 1wfu s VAL 78 Cb -0.08 -2.54 -0.14 0.00 -1.53 0.00 0.00 36.38 32.08 1wfu s VAL 78 CO -0.19 -0.55 2.42 0.52 -3.33 0.00 0.00 175.10 173.97 1wfu n VAL 79 N 4.33 0.04 -2.61 2.04 0.31 -0.03 -4.75 118.33 117.67 1wfu n VAL 79 Ca 0.02 -0.31 -0.33 0.00 -0.01 0.00 0.00 64.34 63.71 1wfu n VAL 79 Cb 0.42 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.80 1wfu n VAL 79 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wfu s GLU 80 N 7.69 4.05 -0.24 5.55 2.02 -1.26 -2.73 118.70 133.78 1wfu s GLU 80 Ca 1.16 1.09 -0.06 0.00 0.02 0.00 0.00 54.97 57.17 1wfu s GLU 80 Cb -0.85 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1wfu s GLU 80 CO 0.44 -0.19 0.24 0.41 0.02 0.00 0.00 175.26 176.18 1wfu n GLY 81 N -0.96 -2.09 3.15 -1.39 0.00 -1.25 -5.02 105.19 97.62 1wfu n GLY 81 Ca 0.07 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.64 2.48 0.10 0.99 1.43 0.32 -4.98 118.68 117.37 1wfu s LEU 82 Ca 0.10 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1wfu s LEU 82 Cb -0.03 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.10 1wfu s LEU 82 CO 0.49 -0.45 0.28 -1.61 0.23 0.00 0.00 176.35 175.29 1wfu s GLU 83 N -3.57 3.50 0.38 1.70 0.41 -1.26 -4.32 118.70 115.53 1wfu s GLU 83 Ca 0.08 -0.34 -0.26 0.00 -0.41 0.00 0.00 54.97 54.04 1wfu s GLU 83 Cb 0.04 -2.96 -0.09 0.00 -1.78 0.00 0.00 34.13 29.34 1wfu s GLU 83 CO -0.05 0.55 1.20 -1.25 -0.49 0.00 0.00 175.26 175.22 1wfu s PRO 84 N -2.67 4.16 -1.37 0.39 0.04 -0.78 -3.40 135.00 131.37 1wfu s PRO 84 Ca 0.37 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.28 1wfu s PRO 84 Cb -0.12 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.63 1wfu s PRO 84 CO 0.27 -0.26 0.97 0.54 0.04 0.00 0.00 177.00 178.56 1wfu n ARG 85 N 0.33 -6.21 -4.66 4.56 5.12 -0.76 -4.98 116.66 110.07 1wfu n ARG 85 Ca 0.03 0.71 -0.24 0.00 -1.93 0.00 0.00 57.85 56.42 1wfu n ARG 85 Cb 0.45 -5.58 -0.16 0.00 -1.16 0.00 0.00 32.46 26.01 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 -3.41 1.17 0.29 0.55 2.01 -1.22 -4.91 115.64 110.12 1wfu s THR 86 Ca 0.35 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 1wfu s THR 86 Cb -0.17 -1.02 -0.10 0.00 0.01 0.00 0.00 72.50 71.23 1wfu s THR 86 CO 0.78 0.35 0.93 -0.22 -0.69 0.00 0.00 174.62 175.77 1wfu s LEU 87 N 0.10 4.43 -0.13 4.42 1.98 -1.26 -1.78 118.68 126.44 1wfu s LEU 87 Ca -0.03 1.85 -0.04 0.00 -2.89 0.00 0.00 54.13 53.02 1wfu s LEU 87 Cb -0.10 -3.88 0.05 0.00 0.66 0.00 0.00 46.19 42.92 1wfu s LEU 87 CO 0.01 0.00 0.11 -0.31 -1.89 0.00 0.00 176.35 174.28 1wfu s TYR 88 N -1.48 0.05 0.05 5.38 2.02 -0.08 -4.93 117.35 118.36 1wfu s TYR 88 Ca 0.47 0.01 -0.22 0.00 -0.37 0.00 0.00 57.07 56.97 1wfu s TYR 88 Cb -0.21 -0.54 -0.06 0.00 -0.40 0.00 0.00 41.96 40.75 1wfu s TYR 88 CO 0.26 -0.41 0.65 0.15 -1.57 0.00 0.00 175.55 174.63 1wfu s LYS 89 N 2.19 4.36 -0.02 -0.62 1.02 -1.26 -1.52 119.74 123.89 1wfu s LYS 89 Ca 0.04 0.86 0.01 0.00 0.02 0.00 0.00 55.97 56.90 1wfu s LYS 89 Cb -0.14 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1wfu s LYS 89 CO -0.07 0.44 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.71 1wfu s PHE 90 N -0.49 0.38 0.02 3.18 0.08 -1.00 -3.06 117.98 117.09 1wfu s PHE 90 Ca 0.33 -0.05 0.08 0.00 0.12 0.00 0.00 56.93 57.40 1wfu s PHE 90 Cb -0.20 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 1wfu s PHE 90 CO 0.20 -0.08 -0.23 -0.98 -0.10 0.00 0.00 175.22 174.03 1wfu s ARG 91 N 0.52 2.02 -0.23 0.44 1.70 -0.71 -0.20 118.95 122.50 1wfu s ARG 91 Ca -0.05 -0.99 -0.06 0.00 -0.47 0.00 0.00 55.73 54.16 1wfu s ARG 91 Cb -0.09 -2.09 -0.02 0.00 -0.57 0.00 0.00 34.95 32.18 1wfu s ARG 91 CO -0.01 0.54 0.02 -1.17 -1.08 0.00 0.00 175.30 173.61 1wfu s LEU 92 N -1.10 3.25 0.03 -1.89 2.96 -1.26 -2.46 118.68 118.20 1wfu s LEU 92 Ca 0.12 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1wfu s LEU 92 Cb -0.10 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1wfu s LEU 92 CO 0.02 -0.01 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.18 1wfu s LYS 93 N 1.44 2.34 0.01 1.98 2.20 -0.64 0.71 119.74 127.79 1wfu s LYS 93 Ca 0.05 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1wfu s LYS 93 Cb -0.15 -2.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.79 1wfu s LYS 93 CO 0.01 0.57 -0.08 0.14 -0.36 0.00 0.00 175.35 175.63 1wfu s VAL 94 N -0.99 0.63 -0.17 4.02 -7.23 -1.05 -1.91 120.40 113.71 1wfu s VAL 94 Ca 0.17 -0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1wfu s VAL 94 Cb -0.11 -0.58 0.05 0.00 0.56 0.00 0.00 36.38 36.30 1wfu s VAL 94 CO 0.07 0.02 0.02 -0.89 -0.31 0.00 0.00 175.10 174.01 1wfu s THR 95 N -0.53 0.59 0.80 5.32 2.01 -1.21 -0.53 115.64 122.10 1wfu s THR 95 Ca -0.00 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1wfu s THR 95 Cb -0.05 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.51 1wfu s THR 95 CO 0.00 -0.07 0.84 -1.54 -0.69 0.00 0.00 174.62 173.16 1wfu n SER 96 N 5.04 -0.23 0.00 3.53 3.41 0.43 -3.56 113.62 122.23 1wfu n SER 96 Ca -0.09 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.12 1wfu n SER 96 Cb 0.48 -1.36 0.29 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.12 0.49 -0.07 4.33 -0.04 -1.26 -2.33 135.00 134.00 1wfu n PRO 97 Ca 0.11 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1wfu n PRO 97 Cb 0.51 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.55 1wfu n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu n SER 98 N -0.81 1.70 0.00 3.54 2.88 -1.26 -5.02 113.62 114.65 1wfu n SER 98 Ca 0.07 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wfu n SER 98 Cb 0.03 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 99 N 2.20 2.16 3.72 0.46 0.00 -0.98 -5.14 105.19 107.62 1wfu n GLY 99 Ca -0.23 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1wfu n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfu s GLU 100 N 0.00 2.27 0.10 1.61 0.41 -1.26 -4.68 118.70 117.15 1wfu s GLU 100 Ca 0.00 1.96 -0.24 0.00 -0.41 0.00 0.00 54.97 56.28 1wfu s GLU 100 Cb 0.00 -1.82 0.06 0.00 -1.78 0.00 0.00 34.13 30.59 1wfu s GLU 100 CO 0.00 -1.79 0.58 1.52 -0.49 0.00 0.00 175.26 175.08 1wfu s TYR 101 N -1.64 -0.51 0.17 1.61 1.13 -1.26 0.16 117.35 117.01 1wfu s TYR 101 Ca 0.79 0.44 0.04 0.00 -1.41 0.00 0.00 57.07 56.93 1wfu s TYR 101 Cb -0.35 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.97 1wfu s TYR 101 CO 0.43 -0.76 0.15 0.39 -2.51 0.00 0.00 175.55 173.25 1wfu n GLU 102 N -0.03 0.22 -3.94 -3.49 -0.58 0.31 -4.73 120.64 108.41 1wfu n GLU 102 Ca -0.17 -1.68 -0.13 0.00 -0.42 0.00 0.00 57.16 54.76 1wfu n GLU 102 Cb 0.63 1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 32.76 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 -2.80 0.12 0.40 -0.32 1.51 -1.26 -2.53 117.35 112.47 1wfu s TYR 103 Ca 0.20 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.20 1wfu s TYR 103 Cb 0.01 -0.08 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 1wfu s TYR 103 CO 0.14 -0.01 0.63 -1.54 -1.11 0.00 0.00 175.55 173.66 1wfu s SER 104 N -0.11 6.18 -0.15 2.29 1.04 0.22 -4.38 113.70 118.79 1wfu s SER 104 Ca -0.00 0.52 -0.29 0.00 0.48 0.00 0.00 55.95 56.66 1wfu s SER 104 Cb -0.01 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 1wfu s SER 104 CO -0.00 -0.46 1.56 -2.16 0.98 0.00 0.00 173.24 173.16 1wfu s PRO 105 N -4.47 4.03 0.13 4.02 0.04 -1.26 -4.32 135.00 133.17 1wfu s PRO 105 Ca 0.44 1.86 -0.34 0.00 0.04 0.00 0.00 61.00 63.00 1wfu s PRO 105 Cb -0.10 -3.96 -0.17 0.00 0.04 0.00 0.00 34.50 30.31 1wfu s PRO 105 CO 0.39 -1.00 1.00 1.55 0.04 0.00 0.00 177.00 178.98 1wfu n VAL 106 N 5.84 0.87 -3.89 -0.36 3.14 -1.26 -4.70 118.33 117.96 1wfu n VAL 106 Ca 0.17 -0.22 -0.34 0.00 -2.96 0.00 0.00 64.34 60.99 1wfu n VAL 106 Cb 0.44 -0.43 -0.13 0.00 -1.06 0.00 0.00 33.84 32.66 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 -0.30 2.85 -0.12 1.55 -7.23 0.72 -4.88 120.40 112.98 1wfu s VAL 107 Ca 0.76 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.66 1wfu s VAL 107 Cb -0.99 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 1wfu s VAL 107 CO 0.54 -0.52 0.89 -0.94 -0.31 0.00 0.00 175.10 174.77 1wfu s SER 108 N 1.39 7.09 -0.05 4.85 1.04 -1.26 -2.38 113.70 124.37 1wfu s SER 108 Ca 0.06 1.34 0.01 0.00 0.48 0.00 0.00 55.95 57.83 1wfu s SER 108 Cb -0.21 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.44 1wfu s SER 108 CO -0.05 -0.38 -0.03 0.68 0.98 0.00 0.00 173.24 174.44 1wfu s VAL 109 N 1.88 0.48 -0.26 5.02 -7.23 -0.58 -4.90 120.40 114.82 1wfu s VAL 109 Ca 0.43 -0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.41 1wfu s VAL 109 Cb -0.18 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 1wfu s VAL 109 CO 0.16 0.23 0.24 0.00 -0.31 0.00 0.00 175.10 175.42 1wfu s ALA 110 N 1.13 3.57 1.21 1.32 0.00 -1.26 -0.90 121.76 126.83 1wfu s ALA 110 Ca -0.08 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1wfu s ALA 110 Cb -0.14 -2.49 0.26 0.00 0.00 0.00 0.00 23.12 20.75 1wfu s ALA 110 CO -0.01 -0.43 0.69 0.25 0.00 0.00 0.00 175.76 176.27 1wfu n THR 111 N 4.74 0.00 -2.21 0.00 -2.24 -0.73 -4.84 114.28 108.99 1wfu n THR 111 Ca -0.13 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 1wfu n THR 111 Cb 0.52 -0.87 0.11 0.00 -2.10 0.00 0.00 70.33 67.99 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 -4.99 0.00 -3.59 4.28 -2.24 -1.26 -3.56 114.28 102.92 1wfu n THR 112 Ca 0.03 -1.02 -0.37 0.00 -2.27 0.00 0.00 64.05 60.42 1wfu n THR 112 Cb 0.56 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 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 -4.70 3.92 -0.45 -0.78 1.70 -1.26 -1.83 118.95 115.56 1wfu s ARG 113 Ca 0.52 0.19 -0.37 0.00 -0.47 0.00 0.00 55.73 55.61 1wfu s ARG 113 Cb -0.02 -3.28 -0.14 0.00 -0.57 0.00 0.00 34.95 30.93 1wfu s ARG 113 CO 0.35 0.56 2.23 0.39 -1.08 0.00 0.00 175.30 177.75 1wfu n GLU 114 N 2.45 0.71 0.09 3.89 4.71 -1.26 -4.80 120.64 126.43 1wfu n GLU 114 Ca -0.14 0.18 -0.07 0.00 -0.01 0.00 0.00 57.16 57.11 1wfu n GLU 114 Cb 0.53 -2.19 0.03 0.00 -1.01 0.00 0.00 31.44 28.80 1wfu n GLU 114 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1wfu h SER 115 N 11.89 0.20 -4.38 1.62 0.87 -2.00 -3.47 113.55 118.29 1wfu h SER 115 Ca -0.21 -0.15 -0.40 0.00 -1.23 0.00 0.00 61.79 59.80 1wfu h SER 115 Cb 1.34 -0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 63.14 1wfu h SER 115 CO 1.08 0.91 -0.39 0.61 -0.53 0.00 0.00 176.83 178.51 1wfu n GLY 116 N 0.71 3.12 3.77 5.77 0.00 -1.26 -5.15 105.19 112.15 1wfu n GLY 116 Ca -0.03 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.14 3.75 1.02 1.61 0.04 -1.26 -5.02 135.00 132.01 1wfu s PRO 117 Ca 0.32 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1wfu s PRO 117 Cb 0.02 -2.40 0.20 0.00 0.04 0.00 0.00 34.50 32.36 1wfu s PRO 117 CO 0.22 -0.55 1.08 -1.12 0.04 0.00 0.00 177.00 176.67 1wfu s SER 118 N -1.37 2.32 -0.64 6.66 0.01 -1.26 -4.94 113.70 114.48 1wfu s SER 118 Ca 0.64 1.43 -0.01 0.00 1.31 0.00 0.00 55.95 59.32 1wfu s SER 118 Cb -0.28 -2.12 0.44 0.00 0.21 0.00 0.00 66.02 64.27 1wfu s SER 118 CO 0.34 -3.35 1.94 -1.20 0.41 0.00 0.00 173.24 171.38 1wfu n SER 119 N -4.35 7.37 0.00 2.44 7.64 -1.26 -5.28 113.62 120.18 1wfu n SER 119 Ca 0.05 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1wfu n SER 119 Cb 0.55 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64