#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 5.83 -0.29 1.61 0.01 -1.26 -5.01 113.70 114.60 1wfu s SER 2 Ca 0.00 -2.18 -0.15 0.00 1.31 0.00 0.00 55.95 54.93 1wfu s SER 2 Cb 0.00 -2.03 0.13 0.00 0.21 0.00 0.00 66.02 64.33 1wfu s SER 2 CO 0.00 -0.64 0.86 -0.55 0.41 0.00 0.00 173.24 173.33 1wfu s SER 3 N 2.34 -0.73 0.00 2.44 0.15 -1.26 -5.13 113.70 111.51 1wfu s SER 3 Ca 0.09 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1wfu s SER 3 Cb -0.23 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1wfu s SER 3 CO -0.02 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1wfu n GLY 4 N 4.43 2.09 2.69 9.45 0.00 -1.26 -5.12 105.19 117.47 1wfu n GLY 4 Ca -0.16 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 1.61 0.20 1.61 0.15 -1.26 -5.04 113.70 110.97 1wfu s SER 5 Ca 0.00 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.34 1wfu s SER 5 Cb 0.00 -0.27 0.20 0.00 -1.71 0.00 0.00 66.02 64.24 1wfu s SER 5 CO 0.00 -0.26 1.33 -1.20 1.20 0.00 0.00 173.24 174.31 1wfu n SER 6 N 5.24 -0.57 0.00 5.45 7.64 -1.26 -4.89 113.62 125.23 1wfu n SER 6 Ca -0.05 1.50 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1wfu n SER 6 Cb 0.50 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1wfu n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 7 N -1.40 1.57 3.78 0.23 0.00 -1.26 -5.10 105.19 103.01 1wfu n GLY 7 Ca 0.09 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1wfu n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wfu s MET 8 N 0.00 3.14 -0.06 1.61 0.00 -1.26 -5.06 119.30 117.67 1wfu s MET 8 Ca 0.00 1.43 -0.03 0.00 0.00 0.00 0.00 55.69 57.09 1wfu s MET 8 Cb 0.00 -1.99 0.03 0.00 0.00 0.00 0.00 34.83 32.87 1wfu s MET 8 CO 0.00 -0.99 0.13 -1.21 0.00 0.00 0.00 175.02 172.95 1wfu s GLU 9 N -3.77 0.10 1.15 3.16 2.02 -1.26 -5.16 118.70 114.94 1wfu s GLU 9 Ca 0.68 0.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.79 1wfu s GLU 9 Cb -0.20 -0.10 0.26 0.00 0.10 0.00 0.00 34.13 34.19 1wfu s GLU 9 CO 0.35 -0.12 1.11 -1.25 0.02 0.00 0.00 175.26 175.36 1wfu s PRO 10 N 0.81 -0.81 -0.51 0.39 0.04 -1.26 -5.02 135.00 128.63 1wfu s PRO 10 Ca -0.06 0.08 -0.03 0.00 0.04 0.00 0.00 61.00 61.03 1wfu s PRO 10 Cb -0.08 -1.63 0.13 0.00 0.04 0.00 0.00 34.50 32.96 1wfu s PRO 10 CO -0.04 -3.47 0.32 -1.01 0.04 0.00 0.00 177.00 172.85 1wfu s HIS 11 N -3.00 3.50 -1.18 0.56 3.76 -1.26 -4.68 115.29 112.99 1wfu s HIS 11 Ca 0.69 -2.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.07 1wfu s HIS 11 Cb -0.12 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.34 1wfu s HIS 11 CO 0.56 -0.91 0.00 1.63 -0.85 0.00 0.00 174.74 175.17 1wfu n LYS 12 N 4.09 -1.92 -3.91 1.40 5.02 -1.26 -4.92 118.16 116.66 1wfu n LYS 12 Ca 0.02 0.67 -0.11 0.00 -2.02 0.00 0.00 58.31 56.87 1wfu n LYS 12 Cb 0.40 -5.16 -0.13 0.00 -0.02 0.00 0.00 35.03 30.11 1wfu n LYS 12 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wfu s VAL 13 N -2.48 0.04 -0.26 -0.18 1.01 -1.26 -5.14 120.40 112.12 1wfu s VAL 13 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1wfu s VAL 13 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1wfu s VAL 13 CO 0.00 -0.16 0.11 0.54 0.00 0.00 0.00 175.10 175.59 1wfu s VAL 14 N -0.48 4.64 0.93 2.92 0.11 -1.26 -4.61 120.40 122.65 1wfu s VAL 14 Ca -0.05 -0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 58.80 1wfu s VAL 14 Cb -0.03 -3.20 0.15 0.00 -1.53 0.00 0.00 36.38 31.76 1wfu s VAL 14 CO -0.00 0.29 1.09 -2.16 -3.33 0.00 0.00 175.10 170.99 1wfu s PRO 15 N 1.66 0.99 0.69 1.54 0.04 -1.26 -5.03 135.00 133.63 1wfu s PRO 15 Ca 0.06 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 1wfu s PRO 15 Cb -0.16 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wfu s PRO 15 CO 0.06 -2.40 1.06 -0.48 0.04 0.00 0.00 177.00 175.28 1wfu s LEU 16 N -6.30 3.03 0.80 -3.56 2.34 -1.26 -5.05 118.68 108.69 1wfu s LEU 16 Ca 0.64 1.44 -0.11 0.00 0.06 0.00 0.00 54.13 56.16 1wfu s LEU 16 Cb -0.18 -4.31 0.07 0.00 -0.56 0.00 0.00 46.19 41.21 1wfu s LEU 16 CO 0.57 -1.36 1.09 -0.44 -1.06 0.00 0.00 176.35 175.15 1wfu s SER 17 N -4.00 4.41 0.22 1.48 0.01 -1.26 -4.91 113.70 109.65 1wfu s SER 17 Ca 0.58 1.36 -0.30 0.00 1.31 0.00 0.00 55.95 58.90 1wfu s SER 17 Cb -0.13 -2.09 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1wfu s SER 17 CO 0.54 -2.03 1.03 -0.54 0.41 0.00 0.00 173.24 172.65 1wfu s LYS 18 N -5.11 4.71 0.63 12.44 1.02 -1.26 -4.76 119.74 127.40 1wfu s LYS 18 Ca 0.61 1.64 -0.16 0.00 0.02 0.00 0.00 55.97 58.08 1wfu s LYS 18 Cb -0.15 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1wfu s LYS 18 CO 0.55 0.28 1.12 -1.25 -0.92 0.00 0.00 175.35 175.12 1wfu s PRO 19 N -0.91 2.96 0.40 -1.68 0.04 -1.26 -5.00 135.00 129.55 1wfu s PRO 19 Ca 0.45 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1wfu s PRO 19 Cb -0.28 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1wfu s PRO 19 CO 0.35 -1.14 0.68 -1.01 0.04 0.00 0.00 177.00 175.93 1wfu s HIS 20 N -2.17 3.51 0.27 0.56 3.76 -1.26 -4.10 115.29 115.87 1wfu s HIS 20 Ca 0.69 0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 56.03 1wfu s HIS 20 Cb -0.22 -2.20 -0.10 0.00 1.11 0.00 0.00 32.58 31.18 1wfu s HIS 20 CO 0.37 -0.06 1.25 -1.25 -0.85 0.00 0.00 174.74 174.20 1wfu s PRO 21 N -4.22 4.44 0.55 8.40 0.04 -1.26 -4.84 135.00 138.11 1wfu s PRO 21 Ca 0.46 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.36 1wfu s PRO 21 Cb -0.10 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1wfu s PRO 21 CO 0.37 -0.10 1.13 -1.25 0.04 0.00 0.00 177.00 177.19 1wfu s PRO 22 N -1.16 3.32 0.28 0.56 0.04 -1.26 -4.98 135.00 131.80 1wfu s PRO 22 Ca 0.50 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1wfu s PRO 22 Cb -0.37 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1wfu s PRO 22 CO 0.45 -0.87 0.49 0.08 0.04 0.00 0.00 177.00 177.19 1wfu s VAL 23 N -1.81 5.11 -0.39 -0.36 1.01 -1.00 -4.88 120.40 118.08 1wfu s VAL 23 Ca 0.72 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 1wfu s VAL 23 Cb -0.24 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1wfu s VAL 23 CO 0.28 -0.34 0.20 -0.69 0.00 0.00 0.00 175.10 174.54 1wfu s VAL 24 N -2.08 4.12 0.00 2.92 1.01 -1.26 -1.38 120.40 123.73 1wfu s VAL 24 Ca 0.41 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1wfu s VAL 24 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wfu s VAL 24 CO 0.31 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1wfu n GLY 25 N 4.89 1.39 3.69 4.51 0.00 -1.14 -4.86 105.19 113.67 1wfu n GLY 25 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.12 4.35 -0.39 1.61 2.20 -1.26 -4.98 119.74 121.15 1wfu s LYS 26 Ca 0.00 0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 56.52 1wfu s LYS 26 Cb 0.00 -3.52 0.10 0.00 -1.51 0.00 0.00 37.83 32.89 1wfu s LYS 26 CO 0.00 -0.17 0.18 0.08 -0.36 0.00 0.00 175.35 175.08 1wfu s VAL 27 N 1.59 3.34 0.13 4.02 1.01 -1.26 -1.59 120.40 127.64 1wfu s VAL 27 Ca 0.38 -1.89 0.07 0.00 0.00 0.00 0.00 61.98 60.54 1wfu s VAL 27 Cb -0.17 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1wfu s VAL 27 CO 0.15 -0.59 -0.08 0.42 0.00 0.00 0.00 175.10 175.01 1wfu s THR 28 N 1.19 3.41 -2.00 3.92 -4.23 -0.79 -4.67 115.64 112.47 1wfu s THR 28 Ca 0.06 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1wfu s THR 28 Cb -0.22 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1wfu s THR 28 CO -0.03 0.02 0.95 0.00 -0.54 0.00 0.00 174.62 175.02 1wfu n HIS 29 N 0.40 0.00 -0.72 3.99 1.44 -1.26 -2.68 115.22 116.39 1wfu n HIS 29 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 1wfu n HIS 29 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1wfu n HIS 29 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1wfu n HIS 30 N -0.52 0.00 -3.59 -1.40 -0.00 -1.26 -2.21 115.22 106.23 1wfu n HIS 30 Ca 0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1wfu n HIS 30 Cb 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.98 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 -0.00 -0.19 -0.16 4.39 0.15 -1.09 -0.83 113.70 115.97 1wfu s SER 31 Ca 0.00 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1wfu s SER 31 Cb 0.00 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1wfu s SER 31 CO 0.00 -0.44 0.02 -0.63 1.20 0.00 0.00 173.24 173.39 1wfu s ILE 32 N -2.73 0.52 0.26 6.45 1.01 -0.48 -1.88 121.20 124.34 1wfu s ILE 32 Ca 0.09 -0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 1wfu s ILE 32 Cb 0.00 -0.91 -0.09 0.00 0.01 0.00 0.00 42.46 41.47 1wfu s ILE 32 CO -0.05 -0.06 0.85 -0.70 0.00 0.00 0.00 174.94 174.98 1wfu s GLU 33 N 1.88 4.49 0.03 2.79 2.12 -0.62 -0.46 118.70 128.93 1wfu s GLU 33 Ca 0.01 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 56.48 1wfu s GLU 33 Cb -0.16 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1wfu s GLU 33 CO -0.07 0.38 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.51 1wfu s LEU 34 N -1.83 2.23 -0.21 2.70 1.43 0.53 -2.86 118.68 120.66 1wfu s LEU 34 Ca 0.45 -0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1wfu s LEU 34 Cb -0.19 0.23 0.09 0.00 0.03 0.00 0.00 46.19 46.35 1wfu s LEU 34 CO 0.24 -0.43 0.44 -0.72 0.23 0.00 0.00 176.35 176.10 1wfu s TYR 35 N -2.44 -0.84 -0.25 0.29 -0.85 -0.48 -0.15 117.35 112.62 1wfu s TYR 35 Ca -0.07 1.60 0.10 0.00 -0.52 0.00 0.00 57.07 58.18 1wfu s TYR 35 Cb -0.03 0.35 0.45 0.00 0.38 0.00 0.00 41.96 43.11 1wfu s TYR 35 CO -0.04 -0.50 1.20 -2.67 -1.52 0.00 0.00 175.55 172.02 1wfu n TRP 36 N 5.37 1.53 1.54 -3.49 2.14 -0.62 -2.38 117.44 121.54 1wfu n TRP 36 Ca -0.09 -1.89 0.00 0.00 2.07 0.00 0.00 57.50 57.59 1wfu n TRP 36 Cb 0.49 -0.30 0.00 0.00 -0.81 0.00 0.00 31.31 30.70 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 -0.84 0.38 0.00 -0.67 2.03 -1.26 -3.28 116.55 112.91 1wfu n ASP 37 Ca 0.32 -1.92 -0.13 0.00 0.52 0.00 0.00 54.79 53.58 1wfu n ASP 37 Cb 0.86 -0.19 -0.14 0.00 -0.72 0.00 0.00 41.12 40.93 1wfu n ASP 37 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wfu h LEU 38 N 0.02 0.15 0.26 -2.67 3.38 -1.96 -3.32 115.31 111.17 1wfu h LEU 38 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wfu h LEU 38 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wfu h LEU 38 CO 0.00 1.27 -0.13 -0.33 0.09 0.00 0.00 178.44 179.34 1wfu h GLU 39 N 0.03 -0.34 -1.43 1.13 3.07 -1.95 -3.15 114.58 111.93 1wfu h GLU 39 Ca -0.30 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.50 1wfu h GLU 39 Cb 2.01 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 29.95 1wfu h GLU 39 CO 0.10 0.02 0.12 0.00 -1.40 0.00 0.00 179.01 177.84 1wfu n GLN 40 N -5.05 1.22 -1.43 2.33 -0.00 -1.26 -4.81 117.38 108.38 1wfu n GLN 40 Ca -0.09 -0.47 -0.25 0.00 -0.00 0.00 0.00 57.00 56.19 1wfu n GLN 40 Cb 0.26 -1.19 -0.10 0.00 -0.00 0.00 0.00 30.24 29.21 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 0.70 0.46 -3.73 2.61 4.76 -1.19 -4.79 118.16 116.97 1wfu n LYS 41 Ca 0.09 -1.72 -0.11 0.00 -2.87 0.00 0.00 58.31 53.70 1wfu n LYS 41 Cb 0.60 -3.55 -0.07 0.00 -1.84 0.00 0.00 35.03 30.17 1wfu n LYS 41 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wfu s GLU 42 N 7.61 0.87 0.25 1.97 2.02 -1.26 -5.11 118.70 125.05 1wfu s GLU 42 Ca 0.75 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.88 1wfu s GLU 42 Cb 0.01 0.38 -0.10 0.00 0.10 0.00 0.00 34.13 34.52 1wfu s GLU 42 CO 0.21 -0.29 1.32 -1.59 0.02 0.00 0.00 175.26 174.92 1wfu s LYS 43 N -2.86 4.37 -0.64 1.61 -2.85 -1.26 -4.93 119.74 113.19 1wfu s LYS 43 Ca -0.03 2.13 -0.02 0.00 -1.00 0.00 0.00 55.97 57.06 1wfu s LYS 43 Cb 0.00 -3.14 0.37 0.00 -2.06 0.00 0.00 37.83 33.01 1wfu s LYS 43 CO -0.05 -0.23 2.07 0.54 0.10 0.00 0.00 175.35 177.78 1wfu n ARG 44 N 1.92 2.55 -0.03 1.78 5.12 -1.26 -4.57 116.66 122.17 1wfu n ARG 44 Ca 0.04 -3.01 -0.13 0.00 -1.93 0.00 0.00 57.85 52.82 1wfu n ARG 44 Cb 0.42 -2.17 -0.11 0.00 -1.16 0.00 0.00 32.46 29.44 1wfu n ARG 44 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1wfu h GLN 45 N 2.15 -0.03 -6.18 5.56 4.15 -2.01 -3.46 115.11 115.29 1wfu h GLN 45 Ca 0.54 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.72 1wfu h GLN 45 Cb 0.68 0.01 0.14 0.00 0.21 0.00 0.00 27.48 28.52 1wfu h GLN 45 CO 1.40 0.64 -0.28 0.41 -1.93 0.00 0.00 178.83 179.07 1wfu n GLY 46 N 0.84 -2.66 3.77 2.39 0.00 -1.26 -4.92 105.19 103.35 1wfu n GLY 46 Ca -0.09 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1wfu n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 47 N -3.69 3.37 0.39 1.61 0.04 -1.26 -4.92 135.00 130.55 1wfu s PRO 47 Ca 0.41 1.62 0.15 0.00 0.04 0.00 0.00 61.00 63.22 1wfu s PRO 47 Cb -0.07 -2.02 1.01 0.00 0.04 0.00 0.00 34.50 33.45 1wfu s PRO 47 CO 0.38 -0.83 1.82 0.37 0.04 0.00 0.00 177.00 178.77 1wfu h GLN 48 N 1.23 0.47 -0.67 4.56 4.15 -1.93 0.22 115.11 123.14 1wfu h GLN 48 Ca -0.50 -0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.09 1wfu h GLN 48 Cb 1.26 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 1wfu h GLN 48 CO 0.57 0.31 0.62 0.93 -1.93 0.00 0.00 178.83 179.33 1wfu h GLU 49 N 0.49 0.00 -0.92 1.69 4.39 -2.03 0.73 114.58 118.93 1wfu h GLU 49 Ca 0.52 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.89 1wfu h GLU 49 Cb 1.17 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.63 1wfu h GLU 49 CO -0.24 0.00 0.41 1.04 -1.16 0.00 0.00 179.01 179.06 1wfu n GLN 50 N -3.84 2.55 -4.06 2.33 3.00 0.76 -4.89 117.38 113.23 1wfu n GLN 50 Ca 0.13 -2.50 -0.26 0.00 -0.01 0.00 0.00 57.00 54.37 1wfu n GLN 50 Cb 0.86 -2.01 -0.05 0.00 0.00 0.00 0.00 30.24 29.05 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1wfu s TRP 51 N -2.65 3.21 0.10 1.08 0.52 0.25 -4.97 118.94 116.49 1wfu s TRP 51 Ca 0.46 -0.00 -0.02 0.00 0.02 0.00 0.00 56.10 56.57 1wfu s TRP 51 Cb 0.38 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 31.13 1wfu s TRP 51 CO 0.10 0.52 0.28 -0.51 0.02 0.00 0.00 176.95 177.35 1wfu s LEU 52 N -3.23 4.32 0.12 2.99 1.43 -1.26 -4.56 118.68 118.49 1wfu s LEU 52 Ca 0.32 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1wfu s LEU 52 Cb -0.10 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1wfu s LEU 52 CO 0.25 0.11 0.28 -0.60 0.23 0.00 0.00 176.35 176.62 1wfu s ARG 53 N -2.63 3.46 -0.06 1.70 3.52 -1.23 -4.68 118.95 119.03 1wfu s ARG 53 Ca 0.37 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 1wfu s ARG 53 Cb -0.13 -2.97 0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1wfu s ARG 53 CO 0.27 0.53 0.02 -0.06 -0.81 0.00 0.00 175.30 175.25 1wfu s PHE 54 N -1.67 0.47 -0.20 5.12 0.08 0.22 -3.17 117.98 118.83 1wfu s PHE 54 Ca 0.36 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.39 1wfu s PHE 54 Cb -0.12 -0.69 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1wfu s PHE 54 CO 0.28 -0.28 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.83 1wfu s SER 55 N 1.99 3.45 -0.10 1.36 0.01 -0.88 -1.92 113.70 117.60 1wfu s SER 55 Ca 0.04 -0.84 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 1wfu s SER 55 Cb -0.12 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1wfu s SER 55 CO -0.04 -0.06 0.19 -0.63 0.41 0.00 0.00 173.24 173.11 1wfu s ILE 56 N 1.26 5.42 0.03 1.44 -1.09 0.53 -1.21 121.20 127.58 1wfu s ILE 56 Ca 0.01 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 1wfu s ILE 56 Cb -0.15 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1wfu s ILE 56 CO -0.11 0.60 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.48 1wfu s GLU 57 N -0.94 0.73 -0.03 2.79 2.02 -1.03 -1.13 118.70 121.11 1wfu s GLU 57 Ca 0.16 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.54 1wfu s GLU 57 Cb -0.13 -0.67 -0.01 0.00 0.10 0.00 0.00 34.13 33.42 1wfu s GLU 57 CO 0.05 0.16 -0.23 -1.83 0.02 0.00 0.00 175.26 173.44 1wfu s GLU 58 N -1.13 1.98 0.31 1.61 4.04 -0.58 -1.19 118.70 123.75 1wfu s GLU 58 Ca -0.02 -0.81 -0.12 0.00 0.04 0.00 0.00 54.97 54.06 1wfu s GLU 58 Cb -0.08 -1.84 -0.08 0.00 0.02 0.00 0.00 34.13 32.16 1wfu s GLU 58 CO 0.01 0.44 0.68 -2.00 -1.84 0.00 0.00 175.26 172.55 1wfu s GLU 59 N -0.40 3.89 -0.08 -4.83 2.12 -1.20 -0.85 118.70 117.35 1wfu s GLU 59 Ca 0.05 0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.91 1wfu s GLU 59 Cb -0.10 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 1wfu s GLU 59 CO 0.00 0.17 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.19 1wfu s ASP 60 N -2.49 3.54 0.44 -1.70 1.01 0.24 -4.71 116.67 113.00 1wfu s ASP 60 Ca 0.51 -0.40 0.23 0.00 0.71 0.00 0.00 52.55 53.60 1wfu s ASP 60 Cb -0.10 -1.11 0.97 0.00 1.01 0.00 0.00 42.92 43.69 1wfu s ASP 60 CO 0.21 0.24 1.86 1.55 0.21 0.00 0.00 175.17 179.24 1wfu h PRO 61 N 6.14 0.00 0.02 8.23 0.13 -1.96 1.79 132.00 146.35 1wfu h PRO 61 Ca -0.32 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.49 1wfu h PRO 61 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1wfu h PRO 61 CO 0.50 0.25 -1.87 0.36 -0.23 0.00 0.00 178.00 177.01 1wfu n LYS 62 N -3.54 0.66 0.00 0.86 2.85 -1.26 -4.15 118.16 113.58 1wfu n LYS 62 Ca -0.01 0.25 0.10 0.00 -1.05 0.00 0.00 58.31 57.60 1wfu n LYS 62 Cb 0.40 -1.73 0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfu n MET 63 N -3.08 1.70 -3.36 -1.58 2.81 -1.17 -4.96 117.12 107.48 1wfu n MET 63 Ca -0.22 -1.50 -0.25 0.00 -1.81 0.00 0.00 57.70 53.92 1wfu n MET 63 Cb 1.06 -1.38 -0.05 0.00 -0.71 0.00 0.00 33.22 32.15 1wfu n MET 63 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 1wfu n HIS 64 N 0.84 -0.99 -4.09 2.03 1.44 0.61 -4.84 115.22 110.23 1wfu n HIS 64 Ca 0.11 0.40 -0.07 0.00 -2.01 0.00 0.00 57.72 56.14 1wfu n HIS 64 Cb 0.47 -1.23 -0.10 0.00 0.12 0.00 0.00 29.99 29.25 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 -2.40 0.44 0.27 4.39 0.15 -1.21 -4.87 113.70 110.49 1wfu s SER 65 Ca 0.48 -1.01 0.01 0.00 0.70 0.00 0.00 55.95 56.13 1wfu s SER 65 Cb -0.28 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1wfu s SER 65 CO 0.59 -0.63 0.45 -0.31 1.20 0.00 0.00 173.24 174.55 1wfu s TYR 66 N -3.94 3.48 -0.10 3.44 1.51 -1.26 -0.59 117.35 119.89 1wfu s TYR 66 Ca 0.10 0.27 -0.05 0.00 -1.01 0.00 0.00 57.07 56.38 1wfu s TYR 66 Cb 0.08 -1.81 0.05 0.00 -0.11 0.00 0.00 41.96 40.16 1wfu s TYR 66 CO -0.08 0.28 0.24 0.20 -1.11 0.00 0.00 175.55 175.08 1wfu s GLY 67 N -3.70 -0.13 -0.91 0.71 0.00 -0.03 -4.87 107.32 98.39 1wfu s GLY 67 Ca 0.38 0.97 -0.26 0.00 0.00 0.00 0.00 44.72 45.81 1wfu s GLY 67 CO 0.32 1.33 2.30 0.14 0.00 0.00 0.00 173.10 177.19 1wfu s VAL 68 N 1.40 3.00 0.28 1.40 1.01 -1.26 -1.53 120.40 124.70 1wfu s VAL 68 Ca -0.08 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1wfu s VAL 68 Cb -0.11 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.94 1wfu s VAL 68 CO -0.08 -0.01 1.71 0.16 0.00 0.00 0.00 175.10 176.88 1wfu h ILE 69 N 7.31 1.28 -3.57 2.22 3.07 -1.47 -3.45 117.51 122.90 1wfu h ILE 69 Ca 0.00 -1.35 -0.19 0.00 1.55 0.00 0.00 64.86 64.87 1wfu h ILE 69 Cb 1.00 1.46 -0.25 0.00 -0.27 0.00 0.00 36.82 38.76 1wfu h ILE 69 CO 1.00 0.42 -0.60 -0.47 -1.05 0.00 0.00 178.15 177.46 1wfu s TYR 70 N -4.38 -0.02 -0.19 0.16 5.04 -1.06 -5.02 117.35 111.88 1wfu s TYR 70 Ca -0.06 0.06 -0.08 0.00 -2.44 0.00 0.00 57.07 54.55 1wfu s TYR 70 Cb 0.14 -0.01 0.08 0.00 0.35 0.00 0.00 41.96 42.51 1wfu s TYR 70 CO 0.79 -0.12 0.42 -0.08 -1.34 0.00 0.00 175.55 175.21 1wfu s THR 71 N -0.47 -0.37 -0.55 4.34 -1.32 -1.26 -0.35 115.64 115.66 1wfu s THR 71 Ca -0.05 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1wfu s THR 71 Cb -0.04 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.31 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 4.90 -0.82 0.30 6.08 0.00 -0.81 -5.00 105.19 109.84 1wfu n GLY 72 Ca -0.15 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 0.99 0.00 -2.70 1.61 4.02 -1.26 -0.61 117.16 119.20 1wfu n TYR 73 Ca 0.00 -1.15 -0.21 0.00 -0.01 0.00 0.00 57.90 56.53 1wfu n TYR 73 Cb 0.00 -0.18 0.06 0.00 -0.02 0.00 0.00 39.34 39.19 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 4.00 0.00 -0.72 0.00 -1.26 -4.90 121.76 115.98 1wfu s ALA 74 Ca 0.33 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1wfu s ALA 74 Cb 0.31 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1wfu s ALA 74 CO -0.01 -0.93 0.00 0.25 0.00 0.00 0.00 175.76 175.07 1wfu n THR 75 N -2.43 0.00 -3.52 0.00 -2.24 -1.26 -4.67 114.28 100.15 1wfu n THR 75 Ca 0.11 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.51 1wfu n THR 75 Cb 0.60 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.99 4.00 -0.19 -0.78 3.52 -1.26 -1.59 118.95 120.67 1wfu s ARG 76 Ca 0.00 0.29 -0.13 0.00 -0.13 0.00 0.00 55.73 55.75 1wfu s ARG 76 Cb 0.00 -3.29 0.06 0.00 -1.56 0.00 0.00 34.95 30.15 1wfu s ARG 76 CO 0.00 0.52 0.49 -1.58 -0.81 0.00 0.00 175.30 173.92 1wfu s HIS 77 N -0.49 -0.65 -0.28 5.12 2.46 0.79 -4.98 115.29 117.26 1wfu s HIS 77 Ca 0.21 1.43 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1wfu s HIS 77 Cb -0.15 0.29 0.09 0.00 -0.13 0.00 0.00 32.58 32.67 1wfu s HIS 77 CO 0.10 -0.34 0.05 0.54 -2.47 0.00 0.00 174.74 172.62 1wfu s VAL 78 N 0.97 1.26 -0.25 0.89 0.11 -1.26 0.20 120.40 122.32 1wfu s VAL 78 Ca -0.06 -1.44 -0.31 0.00 -2.93 0.00 0.00 61.98 57.24 1wfu s VAL 78 Cb -0.06 -1.82 -0.07 0.00 -1.53 0.00 0.00 36.38 32.89 1wfu s VAL 78 CO -0.08 -0.47 2.20 0.52 -3.33 0.00 0.00 175.10 173.93 1wfu n VAL 79 N 4.71 0.31 -2.42 2.04 0.31 0.39 -4.75 118.33 118.93 1wfu n VAL 79 Ca -0.04 -0.38 -0.25 0.00 -0.01 0.00 0.00 64.34 63.66 1wfu n VAL 79 Cb 0.43 -2.23 0.04 0.00 -0.91 0.00 0.00 33.84 31.17 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 6.19 2.63 -0.59 5.55 2.02 -1.26 -1.39 118.70 131.85 1wfu s GLU 80 Ca 1.03 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 55.70 1wfu s GLU 80 Cb -0.52 -2.30 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1wfu s GLU 80 CO 0.41 -0.84 0.64 0.41 0.02 0.00 0.00 175.26 175.89 1wfu n GLY 81 N -2.61 -1.25 3.32 -1.39 0.00 -1.12 -4.94 105.19 97.19 1wfu n GLY 81 Ca 0.06 0.79 -0.17 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.36 2.20 0.19 0.99 1.43 -0.01 -4.95 118.68 115.17 1wfu s LEU 82 Ca 0.10 -1.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.05 1wfu s LEU 82 Cb -0.03 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1wfu s LEU 82 CO 0.74 -0.51 0.18 -1.61 0.23 0.00 0.00 176.35 175.39 1wfu s GLU 83 N -3.86 3.01 0.31 1.70 2.02 -1.26 -4.18 118.70 116.44 1wfu s GLU 83 Ca 0.28 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 1wfu s GLU 83 Cb 0.06 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.50 1wfu s GLU 83 CO 0.08 0.47 1.23 -1.25 0.02 0.00 0.00 175.26 175.81 1wfu s PRO 84 N -3.35 4.46 -1.33 0.39 0.04 -0.94 -3.44 135.00 130.83 1wfu s PRO 84 Ca 0.32 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 1wfu s PRO 84 Cb -0.10 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1wfu s PRO 84 CO 0.25 -0.05 0.76 0.54 0.04 0.00 0.00 177.00 178.54 1wfu n ARG 85 N 1.05 -5.16 -4.66 4.56 5.12 -0.96 -4.93 116.66 111.67 1wfu n ARG 85 Ca -0.00 0.64 -0.26 0.00 -1.93 0.00 0.00 57.85 56.30 1wfu n ARG 85 Cb 0.43 -5.27 -0.17 0.00 -1.16 0.00 0.00 32.46 26.29 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 -3.60 1.28 0.26 0.55 2.01 -1.22 -4.87 115.64 110.04 1wfu s THR 86 Ca 0.09 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1wfu s THR 86 Cb -0.04 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.22 1wfu s THR 86 CO 0.81 0.39 0.99 -0.22 -0.69 0.00 0.00 174.62 175.90 1wfu s LEU 87 N 0.65 4.60 -0.13 4.42 1.98 -1.26 -1.82 118.68 127.11 1wfu s LEU 87 Ca -0.15 2.05 -0.04 0.00 -2.89 0.00 0.00 54.13 53.10 1wfu s LEU 87 Cb -0.16 -3.64 0.05 0.00 0.66 0.00 0.00 46.19 43.10 1wfu s LEU 87 CO 0.04 0.04 0.08 -0.31 -1.89 0.00 0.00 176.35 174.31 1wfu s TYR 88 N -1.20 0.19 0.10 5.38 2.02 0.13 -4.92 117.35 119.05 1wfu s TYR 88 Ca 0.43 -0.16 -0.21 0.00 -0.37 0.00 0.00 57.07 56.75 1wfu s TYR 88 Cb -0.27 -0.64 -0.07 0.00 -0.40 0.00 0.00 41.96 40.57 1wfu s TYR 88 CO 0.34 -0.42 0.64 0.15 -1.57 0.00 0.00 175.55 174.69 1wfu s LYS 89 N 2.14 4.32 -0.01 -0.62 1.02 -1.26 -1.93 119.74 123.39 1wfu s LYS 89 Ca 0.03 0.87 -0.00 0.00 0.02 0.00 0.00 55.97 56.89 1wfu s LYS 89 Cb -0.15 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1wfu s LYS 89 CO -0.07 0.61 0.02 -0.06 -0.92 0.00 0.00 175.35 174.93 1wfu s PHE 90 N -1.09 -0.00 -0.14 3.18 0.08 -1.03 -3.22 117.98 115.76 1wfu s PHE 90 Ca 0.31 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 1wfu s PHE 90 Cb -0.21 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.14 1wfu s PHE 90 CO 0.21 -0.04 -0.11 -0.98 -0.10 0.00 0.00 175.22 174.20 1wfu s ARG 91 N 0.42 3.44 -0.29 0.44 1.70 -0.33 -1.46 118.95 122.86 1wfu s ARG 91 Ca -0.03 -0.65 -0.19 0.00 -0.47 0.00 0.00 55.73 54.38 1wfu s ARG 91 Cb -0.05 -2.69 -0.02 0.00 -0.57 0.00 0.00 34.95 31.63 1wfu s ARG 91 CO -0.01 0.21 0.57 -1.17 -1.08 0.00 0.00 175.30 173.82 1wfu s LEU 92 N 0.37 4.14 0.07 -1.89 2.96 -1.26 -2.47 118.68 120.60 1wfu s LEU 92 Ca -0.09 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1wfu s LEU 92 Cb -0.16 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1wfu s LEU 92 CO 0.05 -0.40 0.07 -0.75 -1.32 0.00 0.00 176.35 173.99 1wfu s LYS 93 N 2.46 2.86 -0.03 1.98 2.36 -0.35 0.27 119.74 129.28 1wfu s LYS 93 Ca 0.23 -0.69 -0.06 0.00 -2.55 0.00 0.00 55.97 52.90 1wfu s LYS 93 Cb -0.15 -2.72 0.01 0.00 -1.05 0.00 0.00 37.83 33.92 1wfu s LYS 93 CO 0.11 0.57 0.15 0.14 1.55 0.00 0.00 175.35 177.87 1wfu s VAL 94 N -1.35 0.04 -0.12 4.02 -7.23 -0.94 -2.08 120.40 112.74 1wfu s VAL 94 Ca 0.28 -0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 60.08 1wfu s VAL 94 Cb -0.12 -0.33 0.04 0.00 0.56 0.00 0.00 36.38 36.53 1wfu s VAL 94 CO 0.20 -0.19 0.02 -0.89 -0.31 0.00 0.00 175.10 173.94 1wfu s THR 95 N -0.65 0.38 0.85 5.32 2.01 -1.19 -0.48 115.64 121.89 1wfu s THR 95 Ca -0.07 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 1wfu s THR 95 Cb -0.04 -0.70 0.08 0.00 0.01 0.00 0.00 72.50 71.84 1wfu s THR 95 CO 0.01 0.05 0.95 -1.20 -0.69 0.00 0.00 174.62 173.74 1wfu n SER 96 N 5.13 -0.02 0.00 3.53 7.64 0.34 -3.52 113.62 126.71 1wfu n SER 96 Ca -0.08 0.50 0.06 0.00 1.01 0.00 0.00 58.87 60.36 1wfu n SER 96 Cb 0.49 -1.41 0.34 0.00 -1.01 0.00 0.00 64.21 62.63 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 -2.90 0.49 -0.08 1.43 -0.04 -1.26 -2.34 135.00 130.30 1wfu n PRO 97 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1wfu n PRO 97 Cb 0.51 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 1wfu n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfu n SER 98 N -0.87 1.36 0.00 3.54 2.88 -1.26 -5.02 113.62 114.25 1wfu n SER 98 Ca 0.09 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wfu n SER 98 Cb 0.04 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 2.11 2.33 3.68 0.46 0.00 -0.99 -5.14 105.19 107.64 1wfu n GLY 99 Ca -0.26 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 0.18 -3.56 1.61 -0.58 -1.26 -4.67 120.64 112.36 1wfu n GLU 100 Ca 0.00 0.14 -0.15 0.00 -0.42 0.00 0.00 57.16 56.73 1wfu n GLU 100 Cb 0.00 -2.40 -0.06 0.00 -0.57 0.00 0.00 31.44 28.41 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 -2.12 -0.49 0.21 -0.32 1.13 -1.26 0.13 117.35 114.63 1wfu s TYR 101 Ca 0.73 0.66 0.04 0.00 -1.41 0.00 0.00 57.07 57.09 1wfu s TYR 101 Cb -0.29 0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 40.91 1wfu s TYR 101 CO 0.51 -0.62 0.15 0.39 -2.51 0.00 0.00 175.55 173.47 1wfu n GLU 102 N 0.60 0.35 -3.91 -3.49 -0.58 0.37 -4.94 120.64 109.04 1wfu n GLU 102 Ca -0.19 -2.01 -0.11 0.00 -0.42 0.00 0.00 57.16 54.44 1wfu n GLU 102 Cb 0.59 1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 32.85 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 -2.73 0.09 0.42 -0.32 1.51 -1.26 -2.21 117.35 112.85 1wfu s TYR 103 Ca 0.21 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1wfu s TYR 103 Cb 0.01 -0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.77 1wfu s TYR 103 CO 0.15 -0.12 0.64 -1.54 -1.11 0.00 0.00 175.55 173.57 1wfu s SER 104 N -0.75 6.01 -0.10 2.29 1.04 0.14 -4.18 113.70 118.15 1wfu s SER 104 Ca -0.08 0.40 -0.29 0.00 0.48 0.00 0.00 55.95 56.45 1wfu s SER 104 Cb -0.05 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 1wfu s SER 104 CO -0.00 -0.57 1.53 -2.16 0.98 0.00 0.00 173.24 173.02 1wfu s PRO 105 N -4.50 4.17 0.12 4.02 0.04 -1.26 -4.36 135.00 133.24 1wfu s PRO 105 Ca 0.46 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 1wfu s PRO 105 Cb -0.10 -3.92 -0.17 0.00 0.04 0.00 0.00 34.50 30.35 1wfu s PRO 105 CO 0.38 -0.83 0.65 0.28 0.04 0.00 0.00 177.00 177.52 1wfu n VAL 106 N 5.50 1.23 -3.97 -0.36 0.31 -1.26 -4.73 118.33 115.05 1wfu n VAL 106 Ca 0.16 -0.31 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 1wfu n VAL 106 Cb 0.44 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 -0.61 1.95 -0.17 2.52 -7.23 -0.53 -4.91 120.40 111.41 1wfu s VAL 107 Ca 0.68 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1wfu s VAL 107 Cb -0.97 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 1wfu s VAL 107 CO 0.52 -0.47 0.75 -0.94 -0.31 0.00 0.00 175.10 174.65 1wfu s SER 108 N 1.10 6.87 -0.05 4.85 1.04 -1.26 -2.47 113.70 123.78 1wfu s SER 108 Ca 0.06 1.06 0.02 0.00 0.48 0.00 0.00 55.95 57.57 1wfu s SER 108 Cb -0.19 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.54 1wfu s SER 108 CO -0.10 -0.32 -0.09 0.68 0.98 0.00 0.00 173.24 174.39 1wfu s VAL 109 N 1.89 0.87 -0.26 5.02 -7.23 -0.81 -4.88 120.40 115.00 1wfu s VAL 109 Ca 0.35 -0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.06 1wfu s VAL 109 Cb -0.16 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1wfu s VAL 109 CO 0.12 0.30 0.27 0.00 -0.31 0.00 0.00 175.10 175.48 1wfu s ALA 110 N 0.75 3.56 1.31 1.32 0.00 -1.26 -0.69 121.76 126.75 1wfu s ALA 110 Ca -0.13 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 1wfu s ALA 110 Cb -0.15 -2.54 0.32 0.00 0.00 0.00 0.00 23.12 20.74 1wfu s ALA 110 CO 0.02 -0.48 0.71 0.25 0.00 0.00 0.00 175.76 176.26 1wfu n THR 111 N 4.84 0.00 -2.84 0.00 -2.24 -0.76 -4.82 114.28 108.46 1wfu n THR 111 Ca -0.12 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 1wfu n THR 111 Cb 0.51 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.10 3.16 0.33 4.28 -4.23 -1.25 -3.74 115.64 112.08 1wfu s THR 112 Ca 0.56 -0.70 -0.27 0.00 -1.18 0.00 0.00 61.69 60.11 1wfu s THR 112 Cb -0.10 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1wfu s THR 112 CO 0.48 -0.10 1.02 0.00 -0.54 0.00 0.00 174.62 175.49 1wfu s ARG 113 N -4.60 4.48 0.25 3.99 1.70 -1.26 -2.26 118.95 121.24 1wfu s ARG 113 Ca 0.54 1.54 -0.27 0.00 -0.47 0.00 0.00 55.73 57.07 1wfu s ARG 113 Cb -0.10 -2.87 -0.16 0.00 -0.57 0.00 0.00 34.95 31.25 1wfu s ARG 113 CO 0.37 0.14 0.47 0.39 -1.08 0.00 0.00 175.30 175.59 1wfu n GLU 114 N 0.61 0.10 -0.25 3.89 4.71 -1.26 -4.79 120.64 123.65 1wfu n GLU 114 Ca 0.02 0.03 0.03 0.00 -0.01 0.00 0.00 57.16 57.23 1wfu n GLU 114 Cb 0.48 -1.07 0.16 0.00 -1.01 0.00 0.00 31.44 30.01 1wfu n GLU 114 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1wfu h SER 115 N 0.93 0.41 -4.65 1.62 4.64 -1.97 -3.43 113.55 111.10 1wfu h SER 115 Ca -0.31 0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 1wfu h SER 115 Cb 1.43 0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.32 1wfu h SER 115 CO 0.55 0.21 -0.41 -0.83 -0.87 0.00 0.00 176.83 175.48 1wfu s GLY 116 N -3.30 -0.08 -0.02 -0.77 0.00 -1.26 -5.13 107.32 96.76 1wfu s GLY 116 Ca -0.12 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 1wfu s GLY 116 CO 0.76 0.10 1.46 2.56 0.00 0.00 0.00 173.10 177.98 1wfu s PRO 117 N -0.93 4.25 0.54 2.90 0.04 -1.26 -5.02 135.00 135.51 1wfu s PRO 117 Ca -0.10 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1wfu s PRO 117 Cb -0.05 -3.67 0.06 0.00 0.04 0.00 0.00 34.50 30.88 1wfu s PRO 117 CO 0.02 -0.66 0.75 -1.12 0.04 0.00 0.00 177.00 176.03 1wfu s SER 118 N 2.22 5.20 0.69 6.66 0.01 -1.26 -5.11 113.70 122.11 1wfu s SER 118 Ca 0.66 -0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.20 1wfu s SER 118 Cb -0.32 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1wfu s SER 118 CO 0.26 -1.21 1.07 -0.55 0.41 0.00 0.00 173.24 173.23 1wfu s SER 119 N -4.56 5.55 0.00 2.44 0.15 -1.26 -5.29 113.70 110.73 1wfu s SER 119 Ca 0.60 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1wfu s SER 119 Cb -0.07 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1wfu s SER 119 CO 0.38 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 174.14