#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n LYS 3 N 0.00 4.09 0.00 0.54 5.02 -1.26 -4.96 118.16 121.59 2wrn n LYS 3 Ca 0.00 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.45 2wrn n LYS 3 Cb 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 35.03 32.27 2wrn n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wrn n LYS 4 N 2.81 0.00 -5.01 1.97 3.00 -1.26 -2.56 118.16 117.11 2wrn n LYS 4 Ca 0.69 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.73 2wrn n LYS 4 Cb 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.12 2wrn n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wrn s VAL 5 N 0.00 1.62 0.00 3.15 1.01 -1.26 -1.58 120.40 123.34 2wrn s VAL 5 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2wrn s VAL 5 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2wrn s VAL 5 CO 0.00 0.46 0.00 0.18 0.00 0.00 0.00 175.10 175.74 2wrn n LEU 6 N 2.63 0.00 -3.16 3.92 4.77 -0.21 -4.94 117.00 120.02 2wrn n LEU 6 Ca -0.15 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 2wrn n LEU 6 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2wrn n LEU 6 CO 0.24 0.00 0.85 0.42 -1.33 0.00 0.00 177.39 177.57 2wrn s THR 7 N 1.93 -0.04 0.00 -5.08 -4.23 -1.26 -3.15 115.64 103.81 2wrn s THR 7 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2wrn s THR 7 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2wrn s THR 7 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2wrn n GLY 8 N 5.02 3.02 3.84 3.99 0.00 -0.74 -4.51 105.19 115.81 2wrn n GLY 8 Ca -0.08 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 2wrn n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wrn s VAL 9 N -2.52 5.48 -0.19 1.61 -7.23 0.61 -1.30 120.40 116.86 2wrn s VAL 9 Ca 0.00 0.22 -0.28 0.00 -1.81 0.00 0.00 61.98 60.10 2wrn s VAL 9 Cb 0.00 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2wrn s VAL 9 CO 0.00 0.58 0.99 -0.69 -0.31 0.00 0.00 175.10 175.67 2wrn s VAL 10 N -0.70 4.74 0.00 1.32 1.01 0.17 -0.16 120.40 126.79 2wrn s VAL 10 Ca 0.13 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.06 2wrn s VAL 10 Cb -0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2wrn s VAL 10 CO 0.03 -0.10 0.68 1.33 0.00 0.00 0.00 175.10 177.03 2wrn n VAL 11 N 5.06 0.43 -3.64 2.92 0.24 -0.95 -2.74 118.33 119.65 2wrn n VAL 11 Ca 0.10 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.34 61.73 2wrn n VAL 11 Cb 0.47 0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 2wrn n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wrn s SER 12 N -0.43 -1.08 -0.05 -1.34 0.15 -1.25 -4.97 113.70 104.72 2wrn s SER 12 Ca 0.00 1.55 0.07 0.00 0.70 0.00 0.00 55.95 58.27 2wrn s SER 12 Cb 0.00 2.04 0.11 0.00 -1.71 0.00 0.00 66.02 66.45 2wrn s SER 12 CO 0.00 -0.22 1.04 -0.90 1.20 0.00 0.00 173.24 174.36 2wrn n ASP 13 N 5.12 0.90 -0.25 5.45 5.75 -1.26 -0.83 116.55 131.43 2wrn n ASP 13 Ca -0.14 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 2wrn n ASP 13 Cb 0.52 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2wrn n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wrn n LYS 14 N -0.54 0.41 -4.53 0.11 5.02 -1.26 -4.60 118.16 112.77 2wrn n LYS 14 Ca 0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 2wrn n LYS 14 Cb 0.66 -1.10 -0.10 0.00 -0.02 0.00 0.00 35.03 34.47 2wrn n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wrn s MET 15 N -1.51 1.81 -0.28 1.97 -1.94 -1.26 -5.13 119.30 112.96 2wrn s MET 15 Ca 0.00 -2.03 -0.17 0.00 -1.71 0.00 0.00 55.69 51.79 2wrn s MET 15 Cb 0.00 -1.18 -0.03 0.00 2.01 0.00 0.00 34.83 35.64 2wrn s MET 15 CO 0.00 -0.16 0.46 -0.65 -0.01 0.00 0.00 175.02 174.66 2wrn s GLN 16 N -3.81 3.96 -0.43 2.03 -0.21 -1.26 -4.30 119.66 115.63 2wrn s GLN 16 Ca 0.34 0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.84 2wrn s GLN 16 Cb 0.09 -3.68 0.00 0.00 1.00 0.00 0.00 33.01 30.41 2wrn s GLN 16 CO 0.16 -0.38 0.00 1.63 -2.12 0.00 0.00 175.29 174.58 2wrn n LYS 17 N 5.50 -1.87 -4.32 2.91 5.02 -1.26 -4.93 118.16 119.22 2wrn n LYS 17 Ca -0.06 0.59 -0.24 0.00 -2.02 0.00 0.00 58.31 56.58 2wrn n LYS 17 Cb 0.50 -4.91 -0.12 0.00 -0.02 0.00 0.00 35.03 30.48 2wrn n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wrn s THR 18 N -1.27 1.84 -0.23 -0.18 2.01 -1.26 0.12 115.64 116.67 2wrn s THR 18 Ca 0.00 -1.66 -0.09 0.00 0.31 0.00 0.00 61.69 60.25 2wrn s THR 18 Cb 0.00 -1.70 0.10 0.00 0.01 0.00 0.00 72.50 70.91 2wrn s THR 18 CO 0.00 -0.08 0.50 0.68 -0.69 0.00 0.00 174.62 175.03 2wrn s VAL 19 N -1.31 -0.61 0.43 3.82 -7.23 -0.86 -4.45 120.40 110.19 2wrn s VAL 19 Ca 0.10 0.10 -0.24 0.00 -1.81 0.00 0.00 61.98 60.12 2wrn s VAL 19 Cb -0.09 -0.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 2wrn s VAL 19 CO 0.05 0.04 1.17 -0.89 -0.31 0.00 0.00 175.10 175.16 2wrn s THR 20 N 2.45 3.13 -0.03 5.32 2.01 -0.01 -1.92 115.64 126.60 2wrn s THR 20 Ca -0.05 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.86 2wrn s THR 20 Cb -0.11 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.94 2wrn s THR 20 CO -0.15 0.04 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.11 2wrn s VAL 21 N -1.48 0.33 -0.27 3.82 1.01 0.13 -2.25 120.40 121.69 2wrn s VAL 21 Ca 0.60 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 2wrn s VAL 21 Cb -0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2wrn s VAL 21 CO 0.37 0.17 0.51 -0.22 0.00 0.00 0.00 175.10 175.93 2wrn s LEU 22 N 0.89 4.09 -0.26 3.92 2.96 0.78 -0.04 118.68 131.01 2wrn s LEU 22 Ca -0.10 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2wrn s LEU 22 Cb -0.13 -2.65 0.06 0.00 0.50 0.00 0.00 46.19 43.96 2wrn s LEU 22 CO -0.01 -0.31 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.92 2wrn s VAL 23 N 2.33 2.31 0.81 1.68 1.01 0.19 -0.28 120.40 128.45 2wrn s VAL 23 Ca 0.21 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 2wrn s VAL 23 Cb -0.16 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.02 2wrn s VAL 23 CO 0.10 -0.03 1.12 -1.61 0.00 0.00 0.00 175.10 174.68 2wrn s GLU 24 N 1.13 1.39 -0.30 2.72 2.02 -1.26 -0.62 118.70 123.78 2wrn s GLU 24 Ca -0.08 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.07 2wrn s GLU 24 Cb -0.20 -2.12 0.19 0.00 0.10 0.00 0.00 34.13 32.10 2wrn s GLU 24 CO -0.04 -1.77 1.16 -0.98 0.02 0.00 0.00 175.26 173.64 2wrn s ARG 25 N -5.45 0.16 0.74 1.61 1.70 -1.19 -4.91 118.95 111.61 2wrn s ARG 25 Ca 0.68 0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 56.22 2wrn s ARG 25 Cb -0.06 0.08 0.13 0.00 -0.57 0.00 0.00 34.95 34.53 2wrn s ARG 25 CO 0.48 -0.04 1.02 -0.65 -1.08 0.00 0.00 175.30 175.03 2wrn s GLN 26 N 1.42 1.62 0.00 3.89 -0.21 -1.26 -2.24 119.66 122.88 2wrn s GLN 26 Ca -0.07 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.32 2wrn s GLN 26 Cb -0.03 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.70 2wrn s GLN 26 CO -0.13 -1.51 0.00 1.97 -2.12 0.00 0.00 175.29 173.50 2wrn n PHE 27 N -2.92 0.00 -1.86 0.91 1.16 -1.04 -4.97 117.46 108.74 2wrn n PHE 27 Ca 0.14 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.31 2wrn n PHE 27 Cb 0.60 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.45 2wrn n PHE 27 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 2wrn s PRO 28 N -0.98 4.18 0.55 3.97 0.02 -1.26 -2.61 135.00 138.86 2wrn s PRO 28 Ca 0.00 2.48 -0.20 0.00 0.02 0.00 0.00 61.00 63.29 2wrn s PRO 28 Cb 0.00 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 2wrn s PRO 28 CO 0.00 -0.56 1.22 -1.58 -0.33 0.00 0.00 177.00 175.75 2wrn s HIS 29 N 0.10 2.51 0.02 6.54 5.65 0.95 -4.90 115.29 126.16 2wrn s HIS 29 Ca 0.63 1.49 -0.27 0.00 0.25 0.00 0.00 55.06 57.16 2wrn s HIS 29 Cb -0.46 -3.51 -0.15 0.00 -1.18 0.00 0.00 32.58 27.28 2wrn s HIS 29 CO 0.45 -2.13 1.15 -1.00 -0.65 0.00 0.00 174.74 172.57 2wrn h PRO 30 N 1.31 -0.91 0.00 2.88 0.13 -1.93 -2.52 132.00 130.96 2wrn h PRO 30 Ca -0.50 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wrn h PRO 30 Cb 1.28 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.62 2wrn h PRO 30 CO 0.57 -0.60 -0.69 -0.11 -0.23 0.00 0.00 178.00 176.94 2wrn n LEU 31 N -5.41 0.65 -0.05 1.56 7.94 -1.26 -4.41 117.00 116.01 2wrn n LEU 31 Ca -0.12 -0.13 0.02 0.00 -1.11 0.00 0.00 56.01 54.67 2wrn n LEU 31 Cb 0.38 -0.17 -0.01 0.00 0.53 0.00 0.00 43.42 44.16 2wrn n LEU 31 CO 0.30 0.14 0.11 -1.22 -1.11 0.00 0.00 177.39 175.61 2wrn n TYR 32 N -1.57 0.00 0.00 1.96 0.53 -1.26 -5.04 117.16 111.79 2wrn n TYR 32 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 2wrn n TYR 32 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.66 2wrn n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wrn n GLY 33 N 0.74 1.12 3.35 2.72 0.00 -0.95 -4.91 105.19 107.25 2wrn n GLY 33 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2wrn n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrn n LYS 34 N -1.77 -3.23 -3.55 1.61 4.81 -1.26 -4.28 118.16 110.49 2wrn n LYS 34 Ca 0.00 -0.93 -0.39 0.00 -0.87 0.00 0.00 58.31 56.12 2wrn n LYS 34 Cb 0.00 -2.01 -0.05 0.00 0.02 0.00 0.00 35.03 32.99 2wrn n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wrn s VAL 35 N -2.28 4.78 0.20 3.15 1.01 -1.26 -0.03 120.40 125.97 2wrn s VAL 35 Ca 0.66 -3.64 -0.28 0.00 0.00 0.00 0.00 61.98 58.72 2wrn s VAL 35 Cb -0.20 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2wrn s VAL 35 CO 0.62 -1.10 0.87 0.27 0.00 0.00 0.00 175.10 175.76 2wrn s ILE 36 N -1.18 4.23 0.59 2.22 -4.36 -1.07 -4.79 121.20 116.84 2wrn s ILE 36 Ca 0.27 1.91 -0.04 0.00 -0.26 0.00 0.00 60.65 62.53 2wrn s ILE 36 Cb -0.09 -4.24 0.12 0.00 1.25 0.00 0.00 42.46 39.50 2wrn s ILE 36 CO -0.11 0.50 0.81 0.29 0.24 0.00 0.00 174.94 176.67 2wrn n LYS 37 N 1.61 -0.26 0.00 0.37 5.02 -1.26 -2.50 118.16 121.14 2wrn n LYS 37 Ca -0.03 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 2wrn n LYS 37 Cb 0.48 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 2wrn n LYS 37 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wrn n ARG 38 N -2.58 0.00 -2.83 1.97 3.00 -0.95 -4.93 116.66 110.34 2wrn n ARG 38 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.74 2wrn n ARG 38 Cb 0.43 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.91 2wrn n ARG 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2wrn s SER 39 N 0.00 5.66 -0.12 6.15 1.04 -1.26 -3.19 113.70 121.97 2wrn s SER 39 Ca 0.00 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 2wrn s SER 39 Cb 0.00 -1.38 0.03 0.00 0.10 0.00 0.00 66.02 64.77 2wrn s SER 39 CO 0.00 -0.86 0.34 -0.75 0.98 0.00 0.00 173.24 172.95 2wrn s LYS 40 N -4.66 0.42 -0.25 4.02 2.20 0.21 -4.95 119.74 116.73 2wrn s LYS 40 Ca 0.51 0.42 -0.07 0.00 -0.36 0.00 0.00 55.97 56.48 2wrn s LYS 40 Cb -0.10 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 2wrn s LYS 40 CO 0.39 -0.06 0.06 -1.59 -0.36 0.00 0.00 175.35 173.79 2wrn s LYS 41 N 0.07 3.59 0.13 4.03 -2.85 -1.25 0.55 119.74 124.00 2wrn s LYS 41 Ca -0.01 -0.51 0.04 0.00 -1.00 0.00 0.00 55.97 54.49 2wrn s LYS 41 Cb -0.03 -3.28 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 2wrn s LYS 41 CO 0.01 -0.20 0.10 0.71 0.10 0.00 0.00 175.35 176.07 2wrn s TYR 42 N 1.59 3.15 -0.44 1.78 1.51 0.94 -4.85 117.35 121.03 2wrn s TYR 42 Ca 0.06 0.02 -0.15 0.00 -1.01 0.00 0.00 57.07 55.99 2wrn s TYR 42 Cb -0.15 -1.55 0.05 0.00 -0.11 0.00 0.00 41.96 40.20 2wrn s TYR 42 CO 0.03 0.52 0.34 -0.51 -1.11 0.00 0.00 175.55 174.82 2wrn s LEU 43 N -2.78 5.37 0.43 -1.29 1.43 -1.26 0.20 118.68 120.77 2wrn s LEU 43 Ca 0.30 -1.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2wrn s LEU 43 Cb -0.11 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 2wrn s LEU 43 CO 0.22 -0.56 0.62 0.00 0.23 0.00 0.00 176.35 176.87 2wrn s ALA 44 N 1.63 3.90 -0.29 4.21 0.00 -0.81 -3.76 121.76 126.64 2wrn s ALA 44 Ca 0.04 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 2wrn s ALA 44 Cb -0.22 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 2wrn s ALA 44 CO 0.07 -0.31 0.09 -1.58 0.00 0.00 0.00 175.76 174.04 2wrn s HIS 45 N -2.46 3.14 -0.77 0.00 2.46 -0.42 -2.03 115.29 115.20 2wrn s HIS 45 Ca 0.48 -0.78 -0.06 0.00 0.47 0.00 0.00 55.06 55.17 2wrn s HIS 45 Cb -0.10 -2.27 0.20 0.00 -0.13 0.00 0.00 32.58 30.28 2wrn s HIS 45 CO 0.36 -0.51 0.65 0.34 -2.47 0.00 0.00 174.74 173.11 2wrn s ASP 46 N 1.55 5.98 0.01 9.88 3.68 0.32 -3.80 116.67 134.29 2wrn s ASP 46 Ca 0.04 -3.03 -0.06 0.00 2.13 0.00 0.00 52.55 51.63 2wrn s ASP 46 Cb -0.17 -2.00 -0.03 0.00 -1.45 0.00 0.00 42.92 39.27 2wrn s ASP 46 CO 0.03 -0.39 0.94 1.55 0.13 0.00 0.00 175.17 177.44 2wrn h PRO 47 N 7.03 -0.20 -0.37 4.34 0.13 -1.97 -2.85 132.00 138.12 2wrn h PRO 47 Ca 0.07 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.32 2wrn h PRO 47 Cb 0.95 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2wrn h PRO 47 CO 0.77 -0.13 0.45 0.93 -0.23 0.00 0.00 178.00 179.79 2wrn h GLU 48 N -0.23 0.00 -5.64 0.86 5.08 -1.95 -3.45 114.58 109.24 2wrn h GLU 48 Ca -0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 2wrn h GLU 48 Cb 0.16 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.58 2wrn h GLU 48 CO 0.04 0.00 -0.80 0.39 -1.00 0.00 0.00 179.01 177.64 2wrn n GLU 49 N -3.57 -5.36 -0.77 2.33 -0.58 -1.07 -4.90 120.64 106.71 2wrn n GLU 49 Ca 0.06 0.83 -0.02 0.00 -0.42 0.00 0.00 57.16 57.62 2wrn n GLU 49 Cb 0.61 -5.78 0.20 0.00 -0.57 0.00 0.00 31.44 25.90 2wrn n GLU 49 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2wrn n LYS 50 N -3.93 1.78 -3.81 3.49 2.85 -1.26 -4.92 118.16 112.36 2wrn n LYS 50 Ca -0.23 -3.25 -0.27 0.00 -1.05 0.00 0.00 58.31 53.51 2wrn n LYS 50 Cb 0.66 -1.77 -0.17 0.00 -0.65 0.00 0.00 35.03 33.10 2wrn n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wrn s TYR 51 N -3.26 1.26 0.55 5.58 1.51 -1.26 -5.11 117.35 116.62 2wrn s TYR 51 Ca 0.43 -0.81 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 2wrn s TYR 51 Cb 0.40 -1.11 0.09 0.00 -0.11 0.00 0.00 41.96 41.23 2wrn s TYR 51 CO -0.02 -0.55 0.77 0.36 -1.11 0.00 0.00 175.55 174.99 2wrn n LYS 52 N 4.99 0.58 -2.66 -0.62 0.00 -1.26 -5.01 118.16 114.18 2wrn n LYS 52 Ca -0.10 -2.90 -0.42 0.00 -0.00 0.00 0.00 58.31 54.89 2wrn n LYS 52 Cb 0.48 -0.26 -0.03 0.00 -0.00 0.00 0.00 35.03 35.23 2wrn n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2wrn s LEU 53 N 0.00 4.27 0.00 -5.58 0.20 -1.26 -3.74 118.68 112.57 2wrn s LEU 53 Ca 0.57 1.59 0.00 0.00 0.69 0.00 0.00 54.13 56.99 2wrn s LEU 53 Cb -0.04 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2wrn s LEU 53 CO 0.37 -0.44 0.00 0.61 -0.29 0.00 0.00 176.35 176.60 2wrn n GLY 54 N 3.10 1.95 3.58 7.98 0.00 -1.11 -4.95 105.19 115.74 2wrn n GLY 54 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2wrn n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wrn s ASP 55 N -2.00 4.39 -0.39 1.61 1.11 -1.25 -1.50 116.67 118.64 2wrn s ASP 55 Ca 0.00 -0.45 0.00 0.00 0.18 0.00 0.00 52.55 52.28 2wrn s ASP 55 Cb 0.00 -0.82 0.11 0.00 1.07 0.00 0.00 42.92 43.28 2wrn s ASP 55 CO 0.00 0.14 0.15 -0.69 1.18 0.00 0.00 175.17 175.96 2wrn s VAL 56 N -1.43 2.86 0.48 -1.27 1.01 -1.20 0.42 120.40 121.28 2wrn s VAL 56 Ca 0.23 -2.27 0.06 0.00 0.00 0.00 0.00 61.98 60.00 2wrn s VAL 56 Cb -0.10 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 2wrn s VAL 56 CO 0.15 -0.67 0.27 0.68 0.00 0.00 0.00 175.10 175.53 2wrn s VAL 57 N 0.93 1.91 -0.32 2.92 -7.23 -0.42 -1.58 120.40 116.61 2wrn s VAL 57 Ca 0.10 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.58 2wrn s VAL 57 Cb -0.21 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.22 2wrn s VAL 57 CO -0.06 0.00 0.12 -1.61 -0.31 0.00 0.00 175.10 173.24 2wrn s GLU 58 N -4.09 3.00 0.12 4.82 2.02 -1.13 -1.80 118.70 121.64 2wrn s GLU 58 Ca 0.34 -0.93 -0.07 0.00 0.02 0.00 0.00 54.97 54.33 2wrn s GLU 58 Cb 0.00 -3.49 -0.06 0.00 0.10 0.00 0.00 34.13 30.69 2wrn s GLU 58 CO 0.20 -0.53 0.39 0.42 0.02 0.00 0.00 175.26 175.76 2wrn s ILE 59 N 1.51 5.14 0.08 -1.63 -1.09 -1.19 -1.76 121.20 122.26 2wrn s ILE 59 Ca 0.02 0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.71 2wrn s ILE 59 Cb -0.18 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 2wrn s ILE 59 CO 0.04 0.13 -0.17 -0.51 -1.23 0.00 0.00 174.94 173.20 2wrn s ILE 60 N -1.56 1.38 0.04 2.92 2.07 -0.27 -1.04 121.20 124.75 2wrn s ILE 60 Ca 0.38 -1.38 -0.30 0.00 -1.41 0.00 0.00 60.65 57.93 2wrn s ILE 60 Cb -0.13 -1.28 -0.08 0.00 0.13 0.00 0.00 42.46 41.10 2wrn s ILE 60 CO 0.22 -0.13 1.68 -0.70 -1.91 0.00 0.00 174.94 174.10 2wrn s GLU 61 N -1.75 4.19 0.36 3.50 2.12 -0.62 -1.86 118.70 124.63 2wrn s GLU 61 Ca 0.02 2.32 0.05 0.00 0.36 0.00 0.00 54.97 57.72 2wrn s GLU 61 Cb -0.10 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 2wrn s GLU 61 CO 0.03 -0.77 0.19 -1.12 -0.54 0.00 0.00 175.26 173.05 2wrn s SER 62 N 2.74 2.08 0.12 -1.70 0.01 -1.10 -4.85 113.70 110.99 2wrn s SER 62 Ca 0.75 -1.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2wrn s SER 62 Cb -0.39 0.50 -0.06 0.00 0.21 0.00 0.00 66.02 66.28 2wrn s SER 62 CO 0.32 -0.97 1.10 -0.60 0.41 0.00 0.00 173.24 173.50 2wrn s ARG 63 N -3.64 4.56 0.09 12.44 3.52 -1.26 -4.64 118.95 130.02 2wrn s ARG 63 Ca 0.32 1.67 -0.36 0.00 -0.13 0.00 0.00 55.73 57.23 2wrn s ARG 63 Cb 0.03 -3.33 -0.18 0.00 -1.56 0.00 0.00 34.95 29.92 2wrn s ARG 63 CO 0.20 -0.02 1.13 -2.30 -0.81 0.00 0.00 175.30 173.50 2wrn n PRO 64 N 3.03 0.67 -0.00 5.12 -0.02 -1.26 -4.79 135.00 137.74 2wrn n PRO 64 Ca 0.05 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.80 2wrn n PRO 64 Cb 0.47 -1.74 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 2wrn n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wrn n ILE 65 N 1.67 0.01 -3.88 4.25 5.41 -1.15 -5.05 119.36 120.63 2wrn n ILE 65 Ca 0.18 -0.16 -0.02 0.00 1.00 0.00 0.00 62.75 63.75 2wrn n ILE 65 Cb 0.18 0.31 0.01 0.00 -0.71 0.00 0.00 39.64 39.43 2wrn n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wrn s SER 66 N -2.80 -0.01 1.08 4.38 1.04 -1.21 -5.07 113.70 111.10 2wrn s SER 66 Ca -0.02 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 2wrn s SER 66 Cb 0.04 0.45 0.19 0.00 0.10 0.00 0.00 66.02 66.80 2wrn s SER 66 CO 0.28 -0.89 0.78 1.17 0.98 0.00 0.00 173.24 175.56 2wrn n LYS 67 N -0.70 -1.55 0.00 4.02 4.81 -1.26 -3.74 118.16 119.73 2wrn n LYS 67 Ca -0.03 -0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 2wrn n LYS 67 Cb 0.59 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2wrn n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wrn n ARG 68 N -3.84 0.00 -0.30 1.64 1.74 -1.26 -4.75 116.66 109.89 2wrn n ARG 68 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 2wrn n ARG 68 Cb 0.55 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.96 2wrn n ARG 68 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wrn n LYS 69 N 0.00 0.00 -2.48 5.56 4.81 -1.25 -4.84 118.16 119.96 2wrn n LYS 69 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wrn n LYS 69 Cb 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 35.03 34.76 2wrn n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wrn n ARG 70 N 1.78 1.27 -3.85 1.64 3.00 -1.25 -2.94 116.66 116.32 2wrn n ARG 70 Ca 0.13 -2.55 -0.09 0.00 -0.01 0.00 0.00 57.85 55.33 2wrn n ARG 70 Cb -0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 32.46 31.66 2wrn n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wrn s PHE 71 N -2.03 0.16 0.34 -1.55 0.08 -1.25 -2.72 117.98 111.01 2wrn s PHE 71 Ca 0.22 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2wrn s PHE 71 Cb 0.34 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.74 2wrn s PHE 71 CO -0.08 -0.61 0.10 1.03 -0.10 0.00 0.00 175.22 175.56 2wrn s ARG 72 N -3.88 1.70 -0.40 0.44 0.52 -0.78 -1.30 118.95 115.25 2wrn s ARG 72 Ca 0.08 -1.98 -0.09 0.00 -0.52 0.00 0.00 55.73 53.22 2wrn s ARG 72 Cb 0.04 -0.59 0.07 0.00 0.52 0.00 0.00 34.95 34.99 2wrn s ARG 72 CO -0.08 -0.34 0.23 0.08 0.02 0.00 0.00 175.30 175.21 2wrn s VAL 73 N -3.38 4.19 0.00 3.52 1.01 -1.25 -1.11 120.40 123.38 2wrn s VAL 73 Ca 0.32 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2wrn s VAL 73 Cb 0.06 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2wrn s VAL 73 CO 0.15 -0.44 0.65 -0.11 0.00 0.00 0.00 175.10 175.35 2wrn n LEU 74 N 4.90 0.00 0.00 3.92 -0.00 -0.72 -4.95 117.00 120.15 2wrn n LEU 74 Ca -0.10 0.65 -0.10 0.00 -0.00 0.00 0.00 56.01 56.45 2wrn n LEU 74 Cb 0.43 -0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 43.69 2wrn n LEU 74 CO 0.38 -0.15 0.17 -2.11 -0.00 0.00 0.00 177.39 175.68 2wrn n ARG 75 N -1.10 0.58 -3.87 1.96 1.85 -1.26 -5.05 116.66 109.78 2wrn n ARG 75 Ca 0.00 -2.03 -0.26 0.00 -1.00 0.00 0.00 57.85 54.56 2wrn n ARG 75 Cb 0.00 2.04 -0.03 0.00 -1.05 0.00 0.00 32.46 33.42 2wrn n ARG 75 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2wrn s LEU 76 N 0.00 4.30 -0.23 2.89 2.96 -1.26 -2.85 118.68 124.49 2wrn s LEU 76 Ca 0.20 0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 54.24 2wrn s LEU 76 Cb -0.01 -2.98 -0.11 0.00 0.50 0.00 0.00 46.19 43.59 2wrn s LEU 76 CO 0.15 -0.00 -0.28 0.52 -1.32 0.00 0.00 176.35 175.41 2wrn n VAL 77 N -0.75 1.27 -3.64 1.68 0.31 -0.61 -4.94 118.33 111.65 2wrn n VAL 77 Ca -0.07 -0.36 -0.04 0.00 -0.01 0.00 0.00 64.34 63.86 2wrn n VAL 77 Cb 0.54 -1.71 -0.07 0.00 -0.91 0.00 0.00 33.84 31.69 2wrn n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wrn s GLU 78 N -2.43 0.50 0.23 5.55 -1.05 -1.24 -5.07 118.70 115.19 2wrn s GLU 78 Ca -0.32 0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 55.18 2wrn s GLU 78 Cb 0.12 0.11 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 2wrn s GLU 78 CO 0.43 -0.10 0.67 0.45 0.95 0.00 0.00 175.26 177.66 2wrn s SER 79 N 1.36 6.91 0.00 0.83 0.15 -1.26 -3.21 113.70 118.47 2wrn s SER 79 Ca -0.09 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2wrn s SER 79 Cb -0.04 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2wrn s SER 79 CO -0.16 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2wrn n GLY 80 N 0.44 0.76 2.68 9.45 0.00 -0.56 -5.03 105.19 112.94 2wrn n GLY 80 Ca -0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 2wrn n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrn n ARG 81 N 0.00 1.19 0.27 1.61 5.12 -0.70 -4.97 116.66 119.17 2wrn n ARG 81 Ca 0.00 -2.65 0.09 0.00 -1.93 0.00 0.00 57.85 53.36 2wrn n ARG 81 Cb 0.00 -0.74 0.68 0.00 -1.16 0.00 0.00 32.46 31.24 2wrn n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2wrn h MET 82 N 2.55 0.00 -0.42 5.56 2.86 -1.93 -3.00 114.93 120.56 2wrn h MET 82 Ca -0.18 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2wrn h MET 82 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2wrn h MET 82 CO 0.25 0.00 0.22 0.38 1.06 0.00 0.00 176.91 178.83 2wrn h ASP 83 N 0.00 0.53 -0.13 1.22 2.03 -1.98 -1.78 116.42 116.30 2wrn h ASP 83 Ca -0.00 -0.10 0.01 0.00 -0.73 0.00 0.00 57.03 56.21 2wrn h ASP 83 Cb 0.01 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 2wrn h ASP 83 CO 0.00 0.48 0.09 -0.07 -1.03 0.00 0.00 179.24 178.71 2wrn h LEU 84 N 0.54 0.11 -1.25 0.15 3.38 -1.96 0.28 115.31 116.56 2wrn h LEU 84 Ca 0.15 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2wrn h LEU 84 Cb 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wrn h LEU 84 CO -0.02 0.08 -0.15 0.58 0.09 0.00 0.00 178.44 179.02 2wrn h VAL 85 N 0.13 0.38 0.31 1.22 2.07 -1.40 -3.08 116.25 115.88 2wrn h VAL 85 Ca 0.05 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2wrn h VAL 85 Cb 0.06 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2wrn h VAL 85 CO -0.01 0.14 -0.15 -0.33 0.02 0.00 0.00 177.57 177.24 2wrn h GLU 86 N 0.00 -0.41 -0.99 1.57 4.39 0.14 -1.41 114.58 117.87 2wrn h GLU 86 Ca -0.00 0.03 0.36 0.00 0.34 0.00 0.00 59.36 60.08 2wrn h GLU 86 Cb 0.66 0.09 -0.17 0.00 -0.10 0.00 0.00 28.75 29.23 2wrn h GLU 86 CO 0.02 -0.27 0.43 0.87 -1.16 0.00 0.00 179.01 178.90 2wrn h LYS 87 N -0.76 0.09 0.00 2.33 1.79 -1.51 0.43 116.57 118.93 2wrn h LYS 87 Ca -0.04 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2wrn h LYS 87 Cb 0.32 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2wrn h LYS 87 CO 0.07 0.06 0.00 0.98 -1.08 0.00 0.00 179.45 179.48 2wrn n TYR 88 N -5.25 0.00 -0.16 -1.35 9.36 -1.17 -2.23 117.16 116.36 2wrn n TYR 88 Ca 0.33 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.51 2wrn n TYR 88 Cb 1.08 -0.45 -0.04 0.00 -0.63 0.00 0.00 39.34 39.30 2wrn n TYR 88 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wrn n LEU 89 N -1.85 -0.40 -0.01 2.98 4.77 0.11 -0.92 117.00 121.67 2wrn n LEU 89 Ca 0.00 0.72 -0.03 0.00 -0.03 0.00 0.00 56.01 56.67 2wrn n LEU 89 Cb 0.00 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2wrn n LEU 89 CO 0.00 -0.57 0.50 0.40 -1.33 0.00 0.00 177.39 176.39 2wrn h ILE 90 N 0.00 0.00 -0.84 -0.08 1.08 -0.40 0.63 117.51 117.90 2wrn h ILE 90 Ca 0.06 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.70 2wrn h ILE 90 Cb 0.16 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.75 2wrn h ILE 90 CO -0.36 0.00 -0.20 -1.14 -0.69 0.00 0.00 178.15 175.76 2wrn n ARG 91 N -3.21 -0.08 0.37 2.37 0.63 -0.10 0.23 116.66 116.88 2wrn n ARG 91 Ca -0.01 1.31 -0.18 0.00 -0.92 0.00 0.00 57.85 58.05 2wrn n ARG 91 Cb 0.08 -1.96 -0.09 0.00 0.45 0.00 0.00 32.46 30.94 2wrn n ARG 91 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2wrn h ARG 92 N 0.00 -0.90 -1.10 -0.14 2.43 -0.76 -2.06 114.38 111.85 2wrn h ARG 92 Ca 0.41 0.06 0.38 0.00 -0.81 0.00 0.00 59.98 60.02 2wrn h ARG 92 Cb 0.63 0.21 -0.15 0.00 -0.42 0.00 0.00 29.97 30.24 2wrn h ARG 92 CO -0.86 -0.60 0.65 0.37 -1.51 0.00 0.00 179.97 178.02 2wrn h GLN 93 N -0.94 0.16 0.00 0.20 5.75 0.86 0.77 115.11 121.91 2wrn h GLN 93 Ca -0.09 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2wrn h GLN 93 Cb 0.73 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.24 2wrn h GLN 93 CO 0.14 0.11 -0.13 -0.91 -2.65 0.00 0.00 178.83 175.39 2wrn h ASN 94 N 0.17 0.00 -1.10 -0.69 2.35 0.72 -3.23 115.58 113.80 2wrn h ASN 94 Ca 0.79 0.00 0.30 0.00 -0.55 0.00 0.00 56.30 56.84 2wrn h ASN 94 Cb 2.10 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.39 2wrn h ASN 94 CO -0.58 0.13 0.74 1.88 -1.65 0.00 0.00 177.43 177.95 2wrn h TYR 95 N 0.00 0.38 0.00 1.19 0.05 0.81 0.47 116.97 119.87 2wrn h TYR 95 Ca -0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2wrn h TYR 95 Cb 0.79 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 2wrn h TYR 95 CO 0.00 0.02 -0.07 0.93 -1.05 0.00 0.00 178.16 177.99 2wrn h GLU 96 N 0.22 0.00 -0.78 4.88 5.08 -1.71 -2.04 114.58 120.23 2wrn h GLU 96 Ca 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.94 2wrn h GLU 96 Cb 1.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 2wrn h GLU 96 CO -0.18 0.07 0.01 -1.13 -1.00 0.00 0.00 179.01 176.77 2wrn n SER 97 N -3.81 3.57 -0.84 1.42 3.41 0.16 -3.74 113.62 113.79 2wrn n SER 97 Ca -0.02 -2.51 0.05 0.00 -0.26 0.00 0.00 58.87 56.13 2wrn n SER 97 Cb 0.17 -0.60 0.11 0.00 -0.26 0.00 0.00 64.21 63.62 2wrn n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wrn n LEU 98 N 0.33 1.70 0.00 1.04 4.77 -0.77 -5.08 117.00 118.99 2wrn n LEU 98 Ca 0.15 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 2wrn n LEU 98 Cb 0.77 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2wrn n LEU 98 CO 0.18 0.84 0.00 -1.54 -1.33 0.00 0.00 177.39 175.54 2wrn n SER 99 N -0.44 0.37 -2.68 -1.43 3.41 -1.25 -5.09 113.62 106.51 2wrn n SER 99 Ca 0.12 -0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.51 2wrn n SER 99 Cb 0.85 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.87 2wrn n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrn n LYS 100 N -0.13 0.76 0.00 4.33 5.02 -1.26 -5.18 118.16 121.71 2wrn n LYS 100 Ca 0.00 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 2wrn n LYS 100 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 2wrn n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75