#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 -0.08 -3.06 1.61 0.87 -2.15 -3.41 113.55 107.34 1wfu h SER 2 Ca 0.00 0.22 -0.52 0.00 -1.23 0.00 0.00 61.79 60.25 1wfu h SER 2 Cb 0.00 0.31 0.22 0.00 -0.44 0.00 0.00 62.40 62.49 1wfu h SER 2 CO 0.00 -0.21 -0.84 -1.20 -0.53 0.00 0.00 176.83 174.05 1wfu n SER 3 N -5.28 -2.66 0.00 6.23 7.64 -1.26 -4.97 113.62 113.33 1wfu n SER 3 Ca 0.23 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1wfu n SER 3 Cb 0.74 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1wfu n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 4 N 1.85 3.23 3.55 0.23 0.00 -1.26 -5.19 105.19 107.60 1wfu n GLY 4 Ca 0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.35 0.05 1.61 0.15 -1.26 -5.19 113.70 108.71 1wfu s SER 5 Ca 0.00 0.22 -0.28 0.00 0.70 0.00 0.00 55.95 56.59 1wfu s SER 5 Cb 0.00 0.32 0.10 0.00 -1.71 0.00 0.00 66.02 64.73 1wfu s SER 5 CO 0.00 -0.43 1.17 -0.55 1.20 0.00 0.00 173.24 174.63 1wfu s SER 6 N -1.70 -0.09 0.00 5.45 0.15 -1.26 -5.10 113.70 111.14 1wfu s SER 6 Ca 0.02 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1wfu s SER 6 Cb -0.01 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1wfu s SER 6 CO -0.03 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wfu n GLY 7 N -0.50 0.77 3.01 9.45 0.00 -1.26 -5.12 105.19 111.54 1wfu n GLY 7 Ca -0.07 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1wfu n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wfu s MET 8 N -1.51 2.01 0.00 1.61 1.00 -1.26 -5.13 119.30 116.03 1wfu s MET 8 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 55.69 55.05 1wfu s MET 8 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 34.83 32.97 1wfu s MET 8 CO 0.00 -0.13 0.46 -1.21 0.00 0.00 0.00 175.02 174.14 1wfu s GLU 9 N 1.20 4.05 0.76 2.03 8.01 -1.26 -5.09 118.70 128.40 1wfu s GLU 9 Ca -0.03 0.51 -0.13 0.00 0.01 0.00 0.00 54.97 55.33 1wfu s GLU 9 Cb -0.14 -3.25 0.19 0.00 -4.31 0.00 0.00 34.13 26.61 1wfu s GLU 9 CO -0.04 0.61 0.67 -0.35 0.01 0.00 0.00 175.26 176.16 1wfu n PRO 10 N 2.03 -2.34 -0.18 0.39 -0.04 -1.26 -5.04 135.00 128.58 1wfu n PRO 10 Ca -0.12 -1.07 -0.15 0.00 -0.04 0.00 0.00 63.50 62.11 1wfu n PRO 10 Cb 0.52 -1.01 0.14 0.00 -0.04 0.00 0.00 33.50 33.12 1wfu n PRO 10 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wfu n HIS 11 N -3.96 -3.00 -0.21 0.54 1.44 -1.26 -4.87 115.22 103.90 1wfu n HIS 11 Ca 0.09 -0.42 -0.06 0.00 -2.01 0.00 0.00 57.72 55.32 1wfu n HIS 11 Cb 0.36 -0.62 -0.05 0.00 0.12 0.00 0.00 29.99 29.80 1wfu n HIS 11 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1wfu n LYS 12 N -3.81 -0.23 -2.56 -1.40 0.00 -1.26 -4.34 118.16 104.56 1wfu n LYS 12 Ca 0.07 1.26 -0.40 0.00 0.00 0.00 0.00 58.31 59.24 1wfu n LYS 12 Cb 0.30 -1.86 -0.05 0.00 0.00 0.00 0.00 35.03 33.42 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 -4.28 3.73 0.03 3.15 1.01 -1.26 -5.03 120.40 117.74 1wfu s VAL 13 Ca -0.06 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.40 1wfu s VAL 13 Cb 0.06 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1wfu s VAL 13 CO 0.32 0.38 0.60 -0.69 0.00 0.00 0.00 175.10 175.71 1wfu s VAL 14 N -0.99 4.83 0.93 2.92 1.01 -1.26 -4.92 120.40 122.92 1wfu s VAL 14 Ca 0.44 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.57 1wfu s VAL 14 Cb -0.30 -3.93 0.15 0.00 0.00 0.00 0.00 36.38 32.30 1wfu s VAL 14 CO 0.37 0.46 1.09 -2.16 0.00 0.00 0.00 175.10 174.87 1wfu s PRO 15 N -0.51 1.00 1.08 2.72 0.04 -1.26 -5.03 135.00 133.04 1wfu s PRO 15 Ca 0.31 0.72 -0.14 0.00 0.04 0.00 0.00 61.00 61.93 1wfu s PRO 15 Cb -0.19 -1.79 0.23 0.00 0.04 0.00 0.00 34.50 32.79 1wfu s PRO 15 CO 0.18 -2.39 1.09 -0.48 0.04 0.00 0.00 177.00 175.44 1wfu s LEU 16 N -6.29 1.23 0.63 -3.56 2.34 -1.26 -5.01 118.68 106.75 1wfu s LEU 16 Ca 0.64 1.04 -0.15 0.00 0.06 0.00 0.00 54.13 55.72 1wfu s LEU 16 Cb -0.18 -3.06 -0.02 0.00 -0.56 0.00 0.00 46.19 42.37 1wfu s LEU 16 CO 0.57 -3.53 1.07 -0.44 -1.06 0.00 0.00 176.35 172.96 1wfu s SER 17 N -3.51 5.58 0.10 1.48 0.01 -1.26 -4.95 113.70 111.14 1wfu s SER 17 Ca 0.67 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 59.43 1wfu s SER 17 Cb -0.17 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1wfu s SER 17 CO 0.58 -1.31 1.13 -0.54 0.41 0.00 0.00 173.24 173.51 1wfu s LYS 18 N -4.29 4.51 0.27 12.44 1.02 -1.26 -4.83 119.74 127.60 1wfu s LYS 18 Ca 0.63 1.70 -0.29 0.00 0.02 0.00 0.00 55.97 58.02 1wfu s LYS 18 Cb -0.16 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.72 1wfu s LYS 18 CO 0.41 -0.10 1.26 -1.25 -0.92 0.00 0.00 175.35 174.75 1wfu s PRO 19 N 0.53 4.43 0.80 -1.68 0.04 -1.26 -5.02 135.00 132.84 1wfu s PRO 19 Ca 0.54 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1wfu s PRO 19 Cb -0.28 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.18 1wfu s PRO 19 CO 0.31 -0.12 1.09 -3.38 0.04 0.00 0.00 177.00 174.94 1wfu s HIS 20 N -0.67 2.71 0.33 0.56 -3.43 -1.26 -3.97 115.29 109.56 1wfu s HIS 20 Ca 0.51 1.31 -0.28 0.00 -0.80 0.00 0.00 55.06 55.80 1wfu s HIS 20 Cb -0.37 -3.07 -0.10 0.00 -1.43 0.00 0.00 32.58 27.62 1wfu s HIS 20 CO 0.45 -1.82 1.22 -1.25 -2.00 0.00 0.00 174.74 171.34 1wfu s PRO 21 N -5.03 4.40 0.32 -0.38 0.04 -1.26 -4.80 135.00 128.29 1wfu s PRO 21 Ca 0.61 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.39 1wfu s PRO 21 Cb -0.16 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 1wfu s PRO 21 CO 0.55 -0.08 1.22 -1.25 0.04 0.00 0.00 177.00 177.49 1wfu s PRO 22 N -1.76 4.42 0.47 0.56 0.04 -1.26 -5.00 135.00 132.47 1wfu s PRO 22 Ca 0.49 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 1wfu s PRO 22 Cb -0.36 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1wfu s PRO 22 CO 0.47 -0.07 0.76 0.08 0.04 0.00 0.00 177.00 178.29 1wfu s VAL 23 N -1.17 4.77 -0.30 -0.36 1.01 -0.92 -4.89 120.40 118.54 1wfu s VAL 23 Ca 0.48 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 1wfu s VAL 23 Cb -0.36 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.27 1wfu s VAL 23 CO 0.48 -0.75 -0.01 -0.69 0.00 0.00 0.00 175.10 174.12 1wfu s VAL 24 N -2.71 2.74 0.00 2.92 1.01 -1.26 -1.48 120.40 121.62 1wfu s VAL 24 Ca 0.47 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1wfu s VAL 24 Cb -0.10 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1wfu s VAL 24 CO 0.44 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1wfu n GLY 25 N 4.54 1.81 3.75 4.51 0.00 -1.18 -4.91 105.19 113.71 1wfu n GLY 25 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 4.83 -0.20 1.61 2.20 -1.26 -4.92 119.74 121.99 1wfu s LYS 26 Ca 0.00 1.49 0.01 0.00 -0.36 0.00 0.00 55.97 57.11 1wfu s LYS 26 Cb 0.00 -3.30 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1wfu s LYS 26 CO 0.00 0.46 -0.09 0.08 -0.36 0.00 0.00 175.35 175.44 1wfu s VAL 27 N -0.97 1.61 0.15 4.02 1.01 -1.26 -0.64 120.40 124.31 1wfu s VAL 27 Ca 0.42 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1wfu s VAL 27 Cb -0.26 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1wfu s VAL 27 CO 0.32 0.12 -0.21 0.42 0.00 0.00 0.00 175.10 175.75 1wfu s THR 28 N 1.40 1.90 -2.00 3.92 -4.23 -0.60 -4.66 115.64 111.37 1wfu s THR 28 Ca -0.02 -1.81 0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1wfu s THR 28 Cb -0.17 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 72.16 1wfu s THR 28 CO -0.08 -0.18 1.20 0.00 -0.54 0.00 0.00 174.62 175.03 1wfu n HIS 29 N 0.58 0.00 -0.02 3.99 1.44 -1.26 -2.30 115.22 117.64 1wfu n HIS 29 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1wfu n HIS 29 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 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 -0.72 0.00 -3.65 -1.40 -0.00 -1.26 -3.06 115.22 105.12 1wfu n HIS 30 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 1wfu n HIS 30 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.02 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wfu s SER 31 N -0.72 -0.09 -0.06 4.39 1.04 -0.98 -2.03 113.70 115.25 1wfu s SER 31 Ca 0.00 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1wfu s SER 31 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1wfu s SER 31 CO 0.00 -0.45 -0.06 -0.63 0.98 0.00 0.00 173.24 173.08 1wfu s ILE 32 N -2.64 0.73 0.23 -1.02 1.01 -0.54 -1.55 121.20 117.42 1wfu s ILE 32 Ca 0.13 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1wfu s ILE 32 Cb 0.03 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.67 1wfu s ILE 32 CO -0.02 0.28 0.92 -0.70 0.00 0.00 0.00 174.94 175.42 1wfu s GLU 33 N 1.10 4.82 -0.07 2.79 2.12 0.19 -0.34 118.70 129.31 1wfu s GLU 33 Ca -0.08 1.45 -0.03 0.00 0.36 0.00 0.00 54.97 56.68 1wfu s GLU 33 Cb -0.14 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 31.01 1wfu s GLU 33 CO -0.01 0.52 0.15 -0.51 -0.54 0.00 0.00 175.26 174.87 1wfu s LEU 34 N -1.14 0.62 -0.03 2.70 1.43 -0.59 -3.12 118.68 118.54 1wfu s LEU 34 Ca 0.41 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1wfu s LEU 34 Cb -0.26 0.36 0.02 0.00 0.03 0.00 0.00 46.19 46.35 1wfu s LEU 34 CO 0.31 -0.16 -0.02 -0.72 0.23 0.00 0.00 176.35 175.99 1wfu s TYR 35 N 1.31 0.51 -0.21 0.29 -0.85 -0.55 0.12 117.35 117.95 1wfu s TYR 35 Ca -0.08 -0.09 0.13 0.00 -0.52 0.00 0.00 57.07 56.51 1wfu s TYR 35 Cb -0.12 -0.51 0.44 0.00 0.38 0.00 0.00 41.96 42.16 1wfu s TYR 35 CO -0.06 -0.15 1.19 -2.67 -1.52 0.00 0.00 175.55 172.35 1wfu n TRP 36 N 4.02 1.02 0.38 -3.49 2.14 -0.23 -2.15 117.44 119.12 1wfu n TRP 36 Ca -0.26 -1.67 0.03 0.00 2.07 0.00 0.00 57.50 57.68 1wfu n TRP 36 Cb 0.51 -0.26 0.19 0.00 -0.81 0.00 0.00 31.31 30.93 1wfu n TRP 36 CO 0.00 0.00 0.00 -0.40 2.07 0.00 0.00 177.69 179.36 1wfu n ASP 37 N -0.73 0.00 0.24 -0.67 5.75 -1.26 -2.10 116.55 117.78 1wfu n ASP 37 Ca 0.24 -0.04 0.11 0.00 -0.01 0.00 0.00 54.79 55.10 1wfu n ASP 37 Cb 0.85 -0.13 0.59 0.00 -1.03 0.00 0.00 41.12 41.40 1wfu n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1wfu h LEU 38 N 0.00 0.00 0.00 -2.12 3.38 -1.96 -2.82 115.31 111.79 1wfu h LEU 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wfu h LEU 38 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wfu h LEU 38 CO 0.00 0.18 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 1wfu n GLU 39 N -3.47 0.00 -0.64 1.13 -0.58 -0.89 -4.00 120.64 112.18 1wfu n GLU 39 Ca -0.01 0.47 -0.04 0.00 -0.42 0.00 0.00 57.16 57.17 1wfu n GLU 39 Cb 0.34 -1.05 -0.04 0.00 -0.57 0.00 0.00 31.44 30.12 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wfu n GLN 40 N -1.91 1.28 0.10 3.49 -0.00 -1.25 -4.55 117.38 114.54 1wfu n GLN 40 Ca 0.00 -0.32 -0.15 0.00 -0.00 0.00 0.00 57.00 56.53 1wfu n GLN 40 Cb 0.00 -1.27 -0.08 0.00 -0.00 0.00 0.00 30.24 28.89 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 1.51 -0.63 -6.39 2.61 1.57 -1.63 -3.43 116.57 110.19 1wfu h LYS 41 Ca 0.06 0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 58.32 1wfu h LYS 41 Cb 1.12 0.14 0.20 0.00 0.08 0.00 0.00 32.23 33.77 1wfu h LYS 41 CO 0.09 -0.42 -0.93 -1.91 -0.57 0.00 0.00 179.45 175.71 1wfu n GLU 42 N -5.47 0.08 -2.21 3.15 2.13 -1.26 -4.89 120.64 112.18 1wfu n GLU 42 Ca -0.07 0.05 -0.37 0.00 0.66 0.00 0.00 57.16 57.43 1wfu n GLU 42 Cb 0.39 -1.47 -0.00 0.00 0.27 0.00 0.00 31.44 30.62 1wfu n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wfu s LYS 43 N -2.35 3.69 -0.58 5.31 -0.14 -1.26 -4.93 119.74 119.46 1wfu s LYS 43 Ca 0.56 1.82 -0.02 0.00 -1.36 0.00 0.00 55.97 56.97 1wfu s LYS 43 Cb -0.32 -2.39 0.25 0.00 -1.68 0.00 0.00 37.83 33.69 1wfu s LYS 43 CO 0.67 -0.62 2.28 0.54 -0.76 0.00 0.00 175.35 177.46 1wfu n ARG 44 N -0.56 2.45 -0.34 1.68 5.12 -1.26 -4.76 116.66 119.00 1wfu n ARG 44 Ca 0.08 -2.72 -0.11 0.00 -1.93 0.00 0.00 57.85 53.16 1wfu n ARG 44 Cb 0.48 -2.11 -0.09 0.00 -1.16 0.00 0.00 32.46 29.57 1wfu n ARG 44 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1wfu h GLN 45 N 2.53 -0.11 -5.98 5.56 4.20 -2.00 -3.41 115.11 115.90 1wfu h GLN 45 Ca 0.47 0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.95 1wfu h GLN 45 Cb 0.57 0.02 0.13 0.00 0.30 0.00 0.00 27.48 28.51 1wfu h GLN 45 CO 1.16 -0.07 -0.45 0.41 -0.67 0.00 0.00 178.83 179.21 1wfu n GLY 46 N -1.30 -2.36 3.77 3.46 0.00 -1.26 -4.92 105.19 102.58 1wfu n GLY 46 Ca 0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.24 2.70 0.27 1.61 0.04 -1.26 -4.91 135.00 130.21 1wfu s PRO 47 Ca 0.34 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1wfu s PRO 47 Cb -0.05 -1.94 0.55 0.00 0.04 0.00 0.00 34.50 33.10 1wfu s PRO 47 CO 0.34 -1.32 1.76 0.37 0.04 0.00 0.00 177.00 178.20 1wfu h GLN 48 N -0.20 0.62 -0.39 4.56 4.15 -1.91 0.20 115.11 122.13 1wfu h GLN 48 Ca -0.46 -0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.04 1wfu h GLN 48 Cb 1.24 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 1wfu h GLN 48 CO 0.54 0.41 0.62 0.93 -1.93 0.00 0.00 178.83 179.39 1wfu h GLU 49 N 0.64 0.00 -0.93 1.69 5.08 -2.01 0.83 114.58 119.88 1wfu h GLU 49 Ca 0.47 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.53 1wfu h GLU 49 Cb 0.67 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.74 1wfu h GLU 49 CO -0.36 0.00 0.39 0.94 -1.00 0.00 0.00 179.01 178.97 1wfu n GLN 50 N -3.30 2.41 -4.08 2.33 -0.06 0.70 -4.93 117.38 110.45 1wfu n GLN 50 Ca 0.07 -2.31 -0.23 0.00 -2.00 0.00 0.00 57.00 52.53 1wfu n GLN 50 Cb 0.77 -1.94 -0.04 0.00 -4.06 0.00 0.00 30.24 24.97 1wfu n GLN 50 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1wfu s TRP 51 N -2.47 3.18 0.36 3.69 0.52 0.29 -4.95 118.94 119.55 1wfu s TRP 51 Ca 0.43 -0.07 -0.02 0.00 0.02 0.00 0.00 56.10 56.46 1wfu s TRP 51 Cb 0.35 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1wfu s TRP 51 CO 0.09 0.51 0.60 -0.51 0.02 0.00 0.00 176.95 177.66 1wfu s LEU 52 N -3.67 3.95 -0.02 2.99 1.02 -1.26 -4.67 118.68 117.02 1wfu s LEU 52 Ca 0.33 0.63 -0.03 0.00 0.02 0.00 0.00 54.13 55.08 1wfu s LEU 52 Cb -0.09 -3.50 -0.04 0.00 0.02 0.00 0.00 46.19 42.58 1wfu s LEU 52 CO 0.25 -0.32 0.18 -0.60 0.02 0.00 0.00 176.35 175.88 1wfu s ARG 53 N -4.15 3.43 -0.12 1.70 3.52 -1.24 -4.71 118.95 117.37 1wfu s ARG 53 Ca 0.43 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1wfu s ARG 53 Cb -0.10 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1wfu s ARG 53 CO 0.36 0.69 -0.05 -0.06 -0.81 0.00 0.00 175.30 175.42 1wfu s PHE 54 N -1.29 1.35 -0.25 5.12 0.08 -0.01 -2.91 117.98 120.06 1wfu s PHE 54 Ca 0.26 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1wfu s PHE 54 Cb -0.13 -1.16 0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1wfu s PHE 54 CO 0.17 -0.50 -0.08 -1.12 -0.10 0.00 0.00 175.22 173.59 1wfu s SER 55 N 1.75 4.29 -0.18 1.36 0.01 -0.21 -1.76 113.70 118.97 1wfu s SER 55 Ca 0.04 -1.05 -0.15 0.00 1.31 0.00 0.00 55.95 56.09 1wfu s SER 55 Cb -0.13 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1wfu s SER 55 CO -0.08 -0.15 0.36 -0.63 0.41 0.00 0.00 173.24 173.15 1wfu s ILE 56 N 1.25 5.24 0.39 1.44 -1.09 0.11 -1.47 121.20 127.07 1wfu s ILE 56 Ca -0.03 0.65 0.08 0.00 -2.23 0.00 0.00 60.65 59.13 1wfu s ILE 56 Cb -0.18 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 36.95 1wfu s ILE 56 CO -0.05 0.31 0.05 -1.61 -1.23 0.00 0.00 174.94 172.41 1wfu s GLU 57 N 0.92 2.05 -0.03 2.79 2.02 -1.22 -0.42 118.70 124.79 1wfu s GLU 57 Ca 0.18 -1.93 0.02 0.00 0.02 0.00 0.00 54.97 53.26 1wfu s GLU 57 Cb -0.14 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.29 1wfu s GLU 57 CO 0.07 -0.00 -0.07 -1.83 0.02 0.00 0.00 175.26 173.44 1wfu s GLU 58 N -3.75 0.90 0.30 1.61 -1.05 0.22 -1.94 118.70 114.99 1wfu s GLU 58 Ca 0.36 -0.24 -0.08 0.00 -0.15 0.00 0.00 54.97 54.87 1wfu s GLU 58 Cb 0.05 -0.85 -0.06 0.00 -0.44 0.00 0.00 34.13 32.83 1wfu s GLU 58 CO 0.19 0.05 0.61 -2.00 0.95 0.00 0.00 175.26 175.06 1wfu s GLU 59 N 0.41 3.72 -0.13 -4.83 2.12 -1.11 0.42 118.70 119.29 1wfu s GLU 59 Ca -0.06 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.48 1wfu s GLU 59 Cb -0.10 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 1wfu s GLU 59 CO 0.01 0.18 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.23 1wfu s ASP 60 N -2.94 3.65 0.52 -1.70 1.01 0.11 -4.51 116.67 112.80 1wfu s ASP 60 Ca 0.47 -0.44 0.33 0.00 0.71 0.00 0.00 52.55 53.62 1wfu s ASP 60 Cb -0.11 -1.54 1.36 0.00 1.01 0.00 0.00 42.92 43.64 1wfu s ASP 60 CO 0.28 0.14 1.96 1.55 0.21 0.00 0.00 175.17 179.31 1wfu h PRO 61 N 6.90 0.00 0.00 8.23 0.13 -1.96 1.35 132.00 146.65 1wfu h PRO 61 Ca -0.26 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.55 1wfu h PRO 61 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1wfu h PRO 61 CO 0.54 0.00 -2.22 0.36 -0.23 0.00 0.00 178.00 176.45 1wfu n LYS 62 N -2.97 0.69 0.00 0.86 2.85 -1.26 -4.48 118.16 113.85 1wfu n LYS 62 Ca 0.01 0.10 0.11 0.00 -1.05 0.00 0.00 58.31 57.48 1wfu n LYS 62 Cb 0.28 -1.43 0.12 0.00 -0.65 0.00 0.00 35.03 33.35 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 -3.03 0.01 -2.03 -1.58 2.81 -1.21 -4.93 117.12 107.15 1wfu n MET 63 Ca -0.36 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.47 1wfu n MET 63 Cb 0.94 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.94 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 -1.52 -1.38 -4.47 2.03 8.25 0.46 -4.89 115.22 113.71 1wfu n HIS 64 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 1wfu n HIS 64 Cb 0.34 -1.81 -0.10 0.00 1.12 0.00 0.00 29.99 29.54 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 -1.84 3.72 0.12 0.41 0.15 -1.24 -4.81 113.70 110.21 1wfu s SER 65 Ca 0.00 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 55.63 1wfu s SER 65 Cb 0.00 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1wfu s SER 65 CO 0.00 -0.04 0.21 -0.31 1.20 0.00 0.00 173.24 174.30 1wfu s TYR 66 N -2.52 3.39 -0.07 3.44 1.51 -1.26 -0.72 117.35 121.12 1wfu s TYR 66 Ca 0.31 0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 1wfu s TYR 66 Cb -0.03 -1.66 0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1wfu s TYR 66 CO 0.16 0.54 0.15 0.20 -1.11 0.00 0.00 175.55 175.48 1wfu s GLY 67 N -2.91 0.03 -0.55 0.71 0.00 0.17 -4.85 107.32 99.92 1wfu s GLY 67 Ca 0.33 0.58 -0.26 0.00 0.00 0.00 0.00 44.72 45.37 1wfu s GLY 67 CO 0.27 1.42 2.16 0.14 0.00 0.00 0.00 173.10 177.08 1wfu s VAL 68 N 1.90 3.17 0.08 1.40 1.01 -1.26 0.72 120.40 127.41 1wfu s VAL 68 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1wfu s VAL 68 Cb -0.12 -3.44 -0.24 0.00 0.00 0.00 0.00 36.38 32.58 1wfu s VAL 68 CO -0.06 -0.43 1.14 0.16 0.00 0.00 0.00 175.10 175.92 1wfu h ILE 69 N 7.32 1.52 -3.60 2.22 3.07 -1.05 -3.47 117.51 123.53 1wfu h ILE 69 Ca -0.25 -3.19 -0.18 0.00 1.55 0.00 0.00 64.86 62.78 1wfu h ILE 69 Cb 1.22 2.83 -0.24 0.00 -0.27 0.00 0.00 36.82 40.35 1wfu h ILE 69 CO 1.19 0.90 -0.60 -0.47 -1.05 0.00 0.00 178.15 178.11 1wfu s TYR 70 N -2.67 -0.00 -0.22 0.16 5.04 -0.74 -5.02 117.35 113.90 1wfu s TYR 70 Ca -0.02 0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.58 1wfu s TYR 70 Cb 0.09 -0.03 0.12 0.00 0.35 0.00 0.00 41.96 42.49 1wfu s TYR 70 CO 0.84 -0.13 0.37 -0.08 -1.34 0.00 0.00 175.55 175.21 1wfu s THR 71 N -0.57 -0.58 0.00 4.34 -1.32 -1.26 0.06 115.64 116.31 1wfu s THR 71 Ca -0.06 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1wfu s THR 71 Cb -0.04 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 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 2.02 0.23 6.08 0.00 -0.72 -5.02 105.19 113.15 1wfu n GLY 72 Ca -0.05 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.39 1.61 4.02 -1.26 -0.83 117.16 118.30 1wfu n TYR 73 Ca 0.00 -0.93 -0.26 0.00 -0.01 0.00 0.00 57.90 56.70 1wfu n TYR 73 Cb 0.00 -0.15 0.15 0.00 -0.02 0.00 0.00 39.34 39.32 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 -2.50 3.21 -0.02 -0.72 0.00 -1.26 -4.94 121.76 115.54 1wfu s ALA 74 Ca 0.29 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1wfu s ALA 74 Cb 0.26 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 1wfu s ALA 74 CO 0.01 -1.92 -0.01 0.25 0.00 0.00 0.00 175.76 174.09 1wfu n THR 75 N -3.22 0.12 -3.64 0.00 -2.24 -1.26 -4.81 114.28 99.24 1wfu n THR 75 Ca 0.17 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.63 1wfu n THR 75 Cb 0.60 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.04 3.51 -0.30 -0.78 3.52 -1.26 -1.06 118.95 120.54 1wfu s ARG 76 Ca -0.02 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.18 1wfu s ARG 76 Cb 0.01 -2.80 0.19 0.00 -1.56 0.00 0.00 34.95 30.79 1wfu s ARG 76 CO 0.06 0.34 0.74 -1.58 -0.81 0.00 0.00 175.30 174.05 1wfu s HIS 77 N -1.98 -1.28 -0.56 5.12 2.46 0.32 -4.96 115.29 114.41 1wfu s HIS 77 Ca 0.39 1.32 -0.18 0.00 0.47 0.00 0.00 55.06 57.05 1wfu s HIS 77 Cb -0.10 0.43 0.10 0.00 -0.13 0.00 0.00 32.58 32.88 1wfu s HIS 77 CO 0.30 -0.70 0.62 0.08 -2.47 0.00 0.00 174.74 172.57 1wfu s VAL 78 N 2.89 4.95 -0.32 0.89 1.01 -1.26 -1.55 120.40 127.02 1wfu s VAL 78 Ca 0.14 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1wfu s VAL 78 Cb -0.13 -4.41 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1wfu s VAL 78 CO -0.18 -0.99 2.29 0.52 0.00 0.00 0.00 175.10 176.74 1wfu n VAL 79 N 5.46 0.20 -2.47 2.92 0.31 0.54 -4.76 118.33 120.53 1wfu n VAL 79 Ca -0.11 -0.53 -0.25 0.00 -0.01 0.00 0.00 64.34 63.45 1wfu n VAL 79 Cb 0.42 -2.52 0.04 0.00 -0.91 0.00 0.00 33.84 30.88 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 6.94 2.63 -0.84 5.55 2.02 -1.26 -1.47 118.70 132.27 1wfu s GLU 80 Ca 1.02 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 55.64 1wfu s GLU 80 Cb -0.35 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 1wfu s GLU 80 CO 0.34 -0.81 0.74 0.41 0.02 0.00 0.00 175.26 175.96 1wfu n GLY 81 N -2.56 -0.83 3.51 -1.39 0.00 -1.11 -4.94 105.19 97.87 1wfu n GLY 81 Ca 0.06 0.43 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.82 2.67 0.10 0.99 1.43 -0.86 -4.99 118.68 113.20 1wfu s LEU 82 Ca 0.34 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1wfu s LEU 82 Cb -0.04 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1wfu s LEU 82 CO 0.61 -0.12 0.14 -1.61 0.23 0.00 0.00 176.35 175.60 1wfu s GLU 83 N -3.58 3.06 0.30 1.70 2.02 -1.26 -4.39 118.70 116.56 1wfu s GLU 83 Ca 0.31 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.35 1wfu s GLU 83 Cb -0.00 -2.80 -0.10 0.00 0.10 0.00 0.00 34.13 31.33 1wfu s GLU 83 CO 0.16 0.55 1.23 -1.25 0.02 0.00 0.00 175.26 175.97 1wfu s PRO 84 N -2.65 4.46 -1.39 0.39 0.04 -1.17 -3.27 135.00 131.41 1wfu s PRO 84 Ca 0.31 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 1wfu s PRO 84 Cb -0.12 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1wfu s PRO 84 CO 0.24 -0.05 1.06 0.54 0.04 0.00 0.00 177.00 178.84 1wfu n ARG 85 N 1.09 -6.81 -4.65 4.56 5.12 -0.49 -4.96 116.66 110.52 1wfu n ARG 85 Ca 0.00 0.74 -0.25 0.00 -1.93 0.00 0.00 57.85 56.41 1wfu n ARG 85 Cb 0.43 -5.70 -0.14 0.00 -1.16 0.00 0.00 32.46 25.89 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 -3.35 1.58 0.13 0.55 2.01 -1.20 -4.91 115.64 110.45 1wfu s THR 86 Ca 0.50 -1.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 1wfu s THR 86 Cb -0.23 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.84 1wfu s THR 86 CO 0.77 0.22 0.44 -0.22 -0.69 0.00 0.00 174.62 175.13 1wfu s LEU 87 N -1.06 4.29 -0.03 4.42 2.96 -1.26 -1.13 118.68 126.86 1wfu s LEU 87 Ca 0.07 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 54.74 1wfu s LEU 87 Cb -0.08 -3.25 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1wfu s LEU 87 CO 0.01 0.08 0.09 -0.31 -1.32 0.00 0.00 176.35 174.90 1wfu s TYR 88 N -1.56 -0.09 -0.15 5.38 1.51 0.19 -4.92 117.35 117.70 1wfu s TYR 88 Ca 0.39 0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 56.63 1wfu s TYR 88 Cb -0.13 0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.71 1wfu s TYR 88 CO 0.21 -0.05 0.02 0.15 -1.11 0.00 0.00 175.55 174.76 1wfu s LYS 89 N 0.08 3.67 -0.02 -0.62 1.02 -1.26 -0.17 119.74 122.44 1wfu s LYS 89 Ca -0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1wfu s LYS 89 Cb -0.01 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1wfu s LYS 89 CO -0.00 0.35 0.02 -0.06 -0.92 0.00 0.00 175.35 174.75 1wfu s PHE 90 N 0.10 0.03 0.47 3.18 0.08 -1.12 -2.76 117.98 117.97 1wfu s PHE 90 Ca 0.02 0.10 0.06 0.00 0.12 0.00 0.00 56.93 57.24 1wfu s PHE 90 Cb -0.13 -0.20 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 1wfu s PHE 90 CO 0.02 -0.07 0.28 -0.98 -0.10 0.00 0.00 175.22 174.37 1wfu s ARG 91 N 0.86 2.29 -0.22 0.44 1.70 -0.82 -1.88 118.95 121.32 1wfu s ARG 91 Ca -0.07 -1.89 -0.02 0.00 -0.47 0.00 0.00 55.73 53.27 1wfu s ARG 91 Cb -0.10 -2.06 0.07 0.00 -0.57 0.00 0.00 34.95 32.28 1wfu s ARG 91 CO -0.02 -0.33 0.04 -1.17 -1.08 0.00 0.00 175.30 172.74 1wfu s LEU 92 N -4.08 1.51 -0.11 -1.89 2.96 -1.26 -3.45 118.68 112.36 1wfu s LEU 92 Ca 0.37 -1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.21 1wfu s LEU 92 Cb 0.00 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 1wfu s LEU 92 CO 0.21 -0.32 0.12 -0.75 -1.32 0.00 0.00 176.35 174.29 1wfu s LYS 93 N 1.77 3.35 0.06 1.98 2.20 -0.54 -0.98 119.74 127.59 1wfu s LYS 93 Ca 0.00 -0.19 0.06 0.00 -0.36 0.00 0.00 55.97 55.47 1wfu s LYS 93 Cb -0.17 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1wfu s LYS 93 CO -0.11 0.76 -0.15 0.14 -0.36 0.00 0.00 175.35 175.62 1wfu s VAL 94 N -1.02 1.21 -0.25 4.02 -7.23 -1.01 -1.04 120.40 115.09 1wfu s VAL 94 Ca 0.15 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1wfu s VAL 94 Cb -0.12 -1.13 0.08 0.00 0.56 0.00 0.00 36.38 35.77 1wfu s VAL 94 CO 0.04 -0.11 0.08 -0.89 -0.31 0.00 0.00 175.10 173.91 1wfu s THR 95 N -1.10 0.44 0.68 5.32 2.01 -1.15 -0.18 115.64 121.65 1wfu s THR 95 Ca 0.01 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 1wfu s THR 95 Cb -0.09 -1.16 -0.09 0.00 0.01 0.00 0.00 72.50 71.17 1wfu s THR 95 CO 0.02 -0.46 0.14 -1.20 -0.69 0.00 0.00 174.62 172.42 1wfu n SER 96 N 5.06 -2.64 0.00 3.53 7.64 0.64 -3.68 113.62 124.17 1wfu n SER 96 Ca -0.06 0.57 0.05 0.00 1.01 0.00 0.00 58.87 60.44 1wfu n SER 96 Cb 0.45 -1.03 0.31 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.49 0.49 -0.06 1.43 -0.04 -1.26 -2.21 135.00 133.83 1wfu n PRO 97 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1wfu n PRO 97 Cb 0.50 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.84 1.29 0.00 3.54 7.64 -1.26 -5.01 113.62 118.98 1wfu n SER 98 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1wfu n SER 98 Cb 0.04 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 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 1.96 1.23 3.75 0.23 0.00 -0.94 -5.14 105.19 106.28 1wfu n GLY 99 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 2.33 0.18 1.61 0.41 -1.26 -4.73 118.70 117.24 1wfu s GLU 100 Ca 0.00 1.41 -0.21 0.00 -0.41 0.00 0.00 54.97 55.77 1wfu s GLU 100 Cb 0.00 -1.89 0.05 0.00 -1.78 0.00 0.00 34.13 30.51 1wfu s GLU 100 CO 0.00 -1.62 0.57 1.52 -0.49 0.00 0.00 175.26 175.24 1wfu s TYR 101 N -2.46 -0.36 0.20 1.61 1.13 -1.26 0.24 117.35 116.44 1wfu s TYR 101 Ca 0.67 0.07 0.01 0.00 -1.41 0.00 0.00 57.07 56.40 1wfu s TYR 101 Cb -0.21 0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 41.15 1wfu s TYR 101 CO 0.48 -0.89 0.25 0.39 -2.51 0.00 0.00 175.55 173.26 1wfu n GLU 102 N -0.36 0.36 -3.89 -3.49 -0.58 0.75 -4.84 120.64 108.59 1wfu n GLU 102 Ca -0.14 -1.72 -0.12 0.00 -0.42 0.00 0.00 57.16 54.77 1wfu n GLU 102 Cb 0.63 1.57 -0.14 0.00 -0.57 0.00 0.00 31.44 32.93 1wfu n GLU 102 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1wfu s TYR 103 N -3.48 0.03 0.34 -0.32 1.51 -1.26 -2.40 117.35 111.77 1wfu s TYR 103 Ca 0.19 -0.03 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1wfu s TYR 103 Cb -0.00 -0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.79 1wfu s TYR 103 CO 0.13 -0.01 0.58 -1.54 -1.11 0.00 0.00 175.55 173.60 1wfu s SER 104 N -0.07 6.35 -0.16 2.29 1.04 -0.15 -4.40 113.70 118.60 1wfu s SER 104 Ca -0.01 0.60 -0.29 0.00 0.48 0.00 0.00 55.95 56.74 1wfu s SER 104 Cb -0.01 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 1wfu s SER 104 CO -0.00 -0.29 1.57 -2.16 0.98 0.00 0.00 173.24 173.34 1wfu s PRO 105 N -4.06 3.98 0.37 4.02 0.04 -1.26 -4.37 135.00 133.73 1wfu s PRO 105 Ca 0.42 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 1wfu s PRO 105 Cb -0.10 -3.98 -0.14 0.00 0.04 0.00 0.00 34.50 30.32 1wfu s PRO 105 CO 0.35 -1.06 0.07 1.55 0.04 0.00 0.00 177.00 177.94 1wfu n VAL 106 N 5.96 0.56 -3.73 -0.36 3.14 -1.26 -4.66 118.33 117.97 1wfu n VAL 106 Ca 0.17 -0.46 -0.29 0.00 -2.96 0.00 0.00 64.34 60.80 1wfu n VAL 106 Cb 0.44 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.07 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 -1.55 0.77 0.22 1.55 -7.23 -0.79 -4.95 120.40 108.42 1wfu s VAL 107 Ca 0.54 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1wfu s VAL 107 Cb -0.58 -1.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 1wfu s VAL 107 CO 0.58 -0.54 0.99 -0.94 -0.31 0.00 0.00 175.10 174.87 1wfu s SER 108 N 1.69 7.51 -0.06 4.85 1.04 -1.26 -2.78 113.70 124.70 1wfu s SER 108 Ca 0.06 1.99 -0.07 0.00 0.48 0.00 0.00 55.95 58.42 1wfu s SER 108 Cb -0.17 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.36 1wfu s SER 108 CO -0.21 0.02 0.18 0.68 0.98 0.00 0.00 173.24 174.89 1wfu s VAL 109 N -0.85 0.01 -0.18 5.02 -7.23 0.76 -4.92 120.40 113.02 1wfu s VAL 109 Ca 0.44 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1wfu s VAL 109 Cb -0.27 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 1wfu s VAL 109 CO 0.34 -0.04 -0.00 0.00 -0.31 0.00 0.00 175.10 175.08 1wfu s ALA 110 N -0.07 3.11 1.15 1.32 0.00 -1.26 0.56 121.76 126.58 1wfu s ALA 110 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1wfu s ALA 110 Cb -0.02 -1.71 0.17 0.00 0.00 0.00 0.00 23.12 21.56 1wfu s ALA 110 CO 0.00 0.10 0.58 0.25 0.00 0.00 0.00 175.76 176.69 1wfu n THR 111 N 3.74 0.00 -2.87 0.00 -2.24 -0.28 -4.90 114.28 107.72 1wfu n THR 111 Ca -0.17 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1wfu n THR 111 Cb 0.52 -1.04 0.05 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.88 0.00 -3.38 4.28 -2.24 -1.25 -4.06 114.28 103.76 1wfu n THR 112 Ca 0.08 -1.17 -0.32 0.00 -2.27 0.00 0.00 64.05 60.37 1wfu n THR 112 Cb 0.32 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 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 -3.81 3.82 0.07 -0.78 1.70 -1.26 -1.40 118.95 117.29 1wfu s ARG 113 Ca 0.40 0.31 -0.12 0.00 -0.47 0.00 0.00 55.73 55.85 1wfu s ARG 113 Cb -0.03 -2.62 -0.06 0.00 -0.57 0.00 0.00 34.95 31.67 1wfu s ARG 113 CO 0.26 0.29 0.43 -1.83 -1.08 0.00 0.00 175.30 173.37 1wfu s GLU 114 N -2.87 3.85 -0.43 3.89 -1.05 -1.26 -4.66 118.70 116.17 1wfu s GLU 114 Ca 0.48 0.31 -0.42 0.00 -0.15 0.00 0.00 54.97 55.19 1wfu s GLU 114 Cb -0.11 -3.06 -0.17 0.00 -0.44 0.00 0.00 34.13 30.35 1wfu s GLU 114 CO 0.21 0.59 1.99 0.45 0.95 0.00 0.00 175.26 179.45 1wfu n SER 115 N 1.18 1.41 0.00 0.83 2.88 -1.26 -4.78 113.62 113.88 1wfu n SER 115 Ca -0.09 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1wfu n SER 115 Cb 0.52 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1wfu n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 116 N 6.10 0.25 3.67 0.46 0.00 -1.26 -5.16 105.19 109.25 1wfu n GLY 116 Ca 0.43 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 0.36 0.32 1.61 0.04 -1.26 -5.09 135.00 128.97 1wfu s PRO 117 Ca 0.00 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.59 1wfu s PRO 117 Cb 0.00 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1wfu s PRO 117 CO 0.00 -2.78 0.20 -1.54 0.04 0.00 0.00 177.00 172.92 1wfu s SER 118 N -3.45 1.62 -0.14 6.66 1.04 -1.26 -5.09 113.70 113.08 1wfu s SER 118 Ca 0.65 -1.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 1wfu s SER 118 Cb -0.19 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1wfu s SER 118 CO 0.58 -0.96 -0.04 -0.55 0.98 0.00 0.00 173.24 173.25 1wfu s SER 119 N -3.38 4.83 0.00 7.02 0.15 -1.26 -5.34 113.70 115.72 1wfu s SER 119 Ca 0.36 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1wfu s SER 119 Cb 0.04 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1wfu s SER 119 CO 0.20 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.48