#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n LEU 5 N 0.00 0.88 0.13 -3.43 -0.00 -1.26 -4.83 117.00 108.49 2wrn n LEU 5 Ca 0.00 0.83 0.07 0.00 -0.00 0.00 0.00 56.01 56.91 2wrn n LEU 5 Cb 0.00 -0.85 0.04 0.00 -0.00 0.00 0.00 43.42 42.61 2wrn n LEU 5 CO 0.00 -0.76 0.32 0.07 -0.00 0.00 0.00 177.39 177.02 2wrn h LYS 6 N 7.18 0.00 -2.18 1.96 -0.00 -2.10 -3.41 116.57 118.03 2wrn h LYS 6 Ca -0.22 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.86 2wrn h LYS 6 Cb 1.34 0.00 -0.41 0.00 -0.00 0.00 0.00 32.23 33.15 2wrn h LYS 6 CO 1.00 0.19 -0.78 1.17 -0.00 0.00 0.00 179.45 181.03 2wrn n LYS 7 N -2.99 2.37 0.00 0.07 3.00 -1.26 -5.07 118.16 114.29 2wrn n LYS 7 Ca -0.00 -4.37 0.00 0.00 -0.00 0.00 0.00 58.31 53.94 2wrn n LYS 7 Cb 0.65 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.64 2wrn n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wrn n GLY 8 N 0.33 0.97 2.71 3.14 0.00 -1.26 -5.05 105.19 106.03 2wrn n GLY 8 Ca 0.29 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 2wrn n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrn s VAL 9 N -2.21 -0.26 -0.86 1.61 1.01 -1.26 -4.89 120.40 113.54 2wrn s VAL 9 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2wrn s VAL 9 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2wrn s VAL 9 CO 0.00 -0.27 0.03 2.22 0.00 0.00 0.00 175.10 177.08 2wrn n PHE 10 N 5.31 0.00 -1.52 5.22 -1.74 -1.26 -4.71 117.46 118.76 2wrn n PHE 10 Ca -0.06 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.47 2wrn n PHE 10 Cb 0.49 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.38 2wrn n PHE 10 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2wrn n VAL 11 N -0.28 -0.03 -1.56 1.97 3.14 -1.26 -4.64 118.33 115.67 2wrn n VAL 11 Ca 0.00 -0.37 -0.43 0.00 -2.96 0.00 0.00 64.34 60.59 2wrn n VAL 11 Cb 0.00 -1.41 -0.00 0.00 -1.06 0.00 0.00 33.84 31.37 2wrn n VAL 11 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wrn n ASP 12 N 12.63 0.67 0.04 6.55 10.43 -1.26 -4.92 116.55 140.69 2wrn n ASP 12 Ca 0.54 1.06 -0.14 0.00 2.57 0.00 0.00 54.79 58.82 2wrn n ASP 12 Cb 0.25 -1.26 -0.04 0.00 1.84 0.00 0.00 41.12 41.92 2wrn n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wrn h ASP 13 N 1.50 0.65 0.00 -2.24 3.32 -1.98 -3.29 116.42 114.38 2wrn h ASP 13 Ca -0.41 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.17 2wrn h ASP 13 Cb 1.36 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2wrn h ASP 13 CO 0.57 1.25 0.00 0.00 -1.72 0.00 0.00 179.24 179.34 2wrn n HIS 14 N -3.83 0.00 -0.04 4.55 1.44 -1.26 -2.08 115.22 114.00 2wrn n HIS 14 Ca -0.07 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.59 2wrn n HIS 14 Cb 0.78 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.88 2wrn n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wrn n LEU 15 N -0.37 1.38 0.32 2.39 4.77 -1.24 -4.48 117.00 119.77 2wrn n LEU 15 Ca 0.00 0.22 0.20 0.00 -0.03 0.00 0.00 56.01 56.40 2wrn n LEU 15 Cb 0.00 -0.58 1.09 0.00 -2.33 0.00 0.00 43.42 41.59 2wrn n LEU 15 CO 0.00 -0.42 1.16 -0.07 -1.33 0.00 0.00 177.39 176.74 2wrn h LEU 16 N -0.59 0.00 0.00 2.23 4.07 -1.70 1.46 115.31 120.78 2wrn h LEU 16 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wrn h LEU 16 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2wrn h LEU 16 CO 0.00 0.00 0.00 1.21 -1.08 0.00 0.00 178.44 178.57 2wrn n GLU 17 N -3.34 0.15 0.00 1.13 2.13 -0.88 -0.76 120.64 119.07 2wrn n GLU 17 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2wrn n GLU 17 Cb 0.11 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.39 2wrn n GLU 17 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2wrn n LYS 18 N -0.94 0.00 -0.06 5.31 3.00 0.19 -4.88 118.16 120.79 2wrn n LYS 18 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.23 2wrn n LYS 18 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.01 2wrn n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wrn n VAL 19 N 0.00 1.17 -0.18 3.15 0.31 0.44 -3.93 118.33 119.30 2wrn n VAL 19 Ca 0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 2wrn n VAL 19 Cb 0.43 -1.90 0.01 0.00 -0.91 0.00 0.00 33.84 31.47 2wrn n VAL 19 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrn h LEU 20 N -0.60 0.98 -1.00 7.52 3.38 -1.16 0.37 115.31 124.80 2wrn h LEU 20 Ca -0.20 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 2wrn h LEU 20 Cb 0.96 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2wrn h LEU 20 CO -0.12 1.09 0.18 1.05 0.09 0.00 0.00 178.44 180.73 2wrn h GLU 21 N 0.85 0.90 0.00 1.13 4.11 -1.81 0.62 114.58 120.38 2wrn h GLU 21 Ca 0.14 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2wrn h GLU 21 Cb 0.63 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wrn h GLU 21 CO 0.04 0.78 0.00 -0.11 0.07 0.00 0.00 179.01 179.79 2wrn n LEU 22 N -4.28 0.36 0.11 3.06 -0.00 -0.97 -2.20 117.00 113.07 2wrn n LEU 22 Ca 0.05 0.56 0.12 0.00 -0.00 0.00 0.00 56.01 56.74 2wrn n LEU 22 Cb 0.21 -0.49 0.01 0.00 -0.00 0.00 0.00 43.42 43.15 2wrn n LEU 22 CO 0.40 -0.27 0.06 -1.13 -0.00 0.00 0.00 177.39 176.44 2wrn h ASN 23 N 0.00 0.00 -2.26 1.96 -1.24 0.44 -1.87 115.58 112.60 2wrn h ASN 23 Ca 0.00 -0.01 -0.65 0.00 0.71 0.00 0.00 56.30 56.35 2wrn h ASN 23 Cb 0.43 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 39.33 2wrn h ASN 23 CO 0.00 0.00 0.86 0.00 -1.29 0.00 0.00 177.43 177.01 2wrn s ALA 24 N -3.35 3.15 0.00 1.57 0.00 0.34 -1.78 121.76 121.68 2wrn s ALA 24 Ca -0.00 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.62 2wrn s ALA 24 Cb 0.09 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2wrn s ALA 24 CO 0.78 -3.04 0.00 1.63 0.00 0.00 0.00 175.76 175.14 2wrn n LYS 25 N 7.42 0.00 -3.94 0.00 5.02 -1.26 -4.78 118.16 120.62 2wrn n LYS 25 Ca 0.16 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.16 2wrn n LYS 25 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.45 2wrn n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrn n GLY 26 N -0.97 -0.28 0.00 0.72 0.00 -0.73 -4.93 105.19 99.00 2wrn n GLY 26 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wrn n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrn n GLU 27 N -3.91 2.23 0.00 1.61 4.71 -0.71 -4.96 120.64 119.61 2wrn n GLU 27 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.95 2wrn n GLU 27 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 2wrn n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wrn n LYS 28 N 0.00 0.00 0.00 3.49 4.76 -1.26 -5.01 118.16 120.13 2wrn n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wrn n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrn n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wrn n ARG 29 N 0.00 0.00 -1.55 1.97 -4.01 -1.26 -4.88 116.66 106.93 2wrn n ARG 29 Ca 0.00 0.00 -0.49 0.00 -1.04 0.00 0.00 57.85 56.32 2wrn n ARG 29 Cb 0.00 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.36 2wrn n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wrn n LEU 30 N 0.00 2.68 -3.19 2.89 0.00 -1.26 -3.95 117.00 114.17 2wrn n LEU 30 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 56.01 56.44 2wrn n LEU 30 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 43.42 42.04 2wrn n LEU 30 CO 0.00 -0.54 -0.07 -0.51 0.00 0.00 0.00 177.39 176.27 2wrn s ILE 31 N 6.48 -0.50 0.44 1.96 2.07 -1.26 -5.08 121.20 125.31 2wrn s ILE 31 Ca 1.03 -1.10 -0.22 0.00 -1.41 0.00 0.00 60.65 58.95 2wrn s ILE 31 Cb -0.73 -0.48 -0.09 0.00 0.13 0.00 0.00 42.46 41.29 2wrn s ILE 31 CO 0.48 -0.45 1.04 -0.54 -1.91 0.00 0.00 174.94 173.56 2wrn s LYS 32 N 1.12 4.01 0.31 3.50 1.02 -1.26 -1.41 119.74 127.03 2wrn s LYS 32 Ca 0.23 1.41 -0.19 0.00 0.02 0.00 0.00 55.97 57.44 2wrn s LYS 32 Cb -0.06 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2wrn s LYS 32 CO -0.07 -0.26 0.73 -0.08 -0.92 0.00 0.00 175.35 174.76 2wrn s THR 33 N -1.84 0.00 0.00 2.17 -1.32 -1.14 -4.90 115.64 108.61 2wrn s THR 33 Ca 0.62 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 2wrn s THR 33 Cb -0.18 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 2wrn s THR 33 CO 0.23 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.43 2wrn n TRP 34 N -0.48 0.00 -0.43 9.09 8.01 -1.26 -3.54 117.44 128.83 2wrn n TRP 34 Ca -0.05 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.09 2wrn n TRP 34 Cb 0.59 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.82 2wrn n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wrn n SER 35 N -1.08 2.26 0.00 -0.99 3.41 -1.26 -4.52 113.62 111.44 2wrn n SER 35 Ca 0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2wrn n SER 35 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 2wrn n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wrn n ARG 36 N 2.77 0.00 -3.79 4.33 1.85 -1.26 -2.64 116.66 117.92 2wrn n ARG 36 Ca 0.18 0.25 -0.31 0.00 -1.00 0.00 0.00 57.85 56.98 2wrn n ARG 36 Cb 0.39 -1.72 -0.10 0.00 -1.05 0.00 0.00 32.46 29.99 2wrn n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wrn n ARG 37 N -1.24 2.17 -3.20 2.89 -4.01 -1.26 -1.90 116.66 110.10 2wrn n ARG 37 Ca 0.00 -4.50 0.01 0.00 -1.04 0.00 0.00 57.85 52.32 2wrn n ARG 37 Cb 0.22 -2.34 -0.03 0.00 -3.04 0.00 0.00 32.46 27.28 2wrn n ARG 37 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2wrn s SER 38 N -1.03 -1.00 0.61 2.89 1.04 -1.08 -4.61 113.70 110.52 2wrn s SER 38 Ca 0.26 0.69 -0.18 0.00 0.48 0.00 0.00 55.95 57.21 2wrn s SER 38 Cb -0.05 1.91 -0.09 0.00 0.10 0.00 0.00 66.02 67.89 2wrn s SER 38 CO -0.15 -0.27 0.30 0.41 0.98 0.00 0.00 173.24 174.51 2wrn n THR 39 N 5.41 1.50 -1.70 2.02 -1.04 -1.26 -4.05 114.28 115.16 2wrn n THR 39 Ca -0.01 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.05 61.09 2wrn n THR 39 Cb 0.51 -0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 2wrn n THR 39 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wrn n ILE 40 N -1.84 0.23 -3.26 12.58 5.41 -1.06 -4.66 119.36 126.75 2wrn n ILE 40 Ca 0.10 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.37 2wrn n ILE 40 Cb 0.48 -2.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.30 2wrn n ILE 40 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wrn s VAL 41 N 2.14 5.02 0.26 1.39 1.01 -1.26 -4.87 120.40 124.09 2wrn s VAL 41 Ca 0.80 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.13 2wrn s VAL 41 Cb -0.51 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 31.60 2wrn s VAL 41 CO 0.36 -0.54 0.79 -2.65 0.00 0.00 0.00 175.10 173.06 2wrn n PRO 42 N 5.77 0.78 0.00 2.72 -0.02 -1.26 -1.37 135.00 141.63 2wrn n PRO 42 Ca -0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2wrn n PRO 42 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2wrn n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrn n GLU 43 N 0.82 0.00 0.00 -0.52 2.13 -1.26 -4.74 120.64 117.07 2wrn n GLU 43 Ca 0.13 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.96 2wrn n GLU 43 Cb 0.30 -0.08 0.07 0.00 0.27 0.00 0.00 31.44 32.01 2wrn n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2wrn n MET 44 N -0.22 0.08 -0.62 5.31 2.81 -0.47 -4.57 117.12 119.45 2wrn n MET 44 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 2wrn n MET 44 Cb 0.00 -1.47 0.20 0.00 -0.71 0.00 0.00 33.22 31.23 2wrn n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wrn n VAL 45 N -0.97 0.00 0.00 2.03 0.24 -1.26 -1.81 118.33 116.56 2wrn n VAL 45 Ca 0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2wrn n VAL 45 Cb 0.01 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 2wrn n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrn n GLY 46 N 1.20 0.71 3.55 7.63 0.00 -1.24 -4.80 105.19 112.24 2wrn n GLY 46 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2wrn n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wrn s HIS 47 N 0.00 1.10 -0.76 1.61 3.76 -0.75 -4.83 115.29 115.42 2wrn s HIS 47 Ca 0.00 1.51 -0.25 0.00 -0.15 0.00 0.00 55.06 56.17 2wrn s HIS 47 Cb 0.00 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.05 2wrn s HIS 47 CO 0.00 -2.56 1.89 0.99 -0.85 0.00 0.00 174.74 174.20 2wrn s THR 48 N 11.99 3.41 0.62 1.30 2.01 -1.25 -4.73 115.64 128.99 2wrn s THR 48 Ca 0.96 -0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.71 2wrn s THR 48 Cb -0.17 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 2wrn s THR 48 CO 0.26 -0.96 1.14 -0.63 -0.69 0.00 0.00 174.62 173.74 2wrn s ILE 49 N 9.46 3.04 -0.55 1.82 1.01 -1.06 -4.07 121.20 130.85 2wrn s ILE 49 Ca 0.68 0.55 0.07 0.00 0.00 0.00 0.00 60.65 61.94 2wrn s ILE 49 Cb -0.09 -3.12 0.24 0.00 0.01 0.00 0.00 42.46 39.50 2wrn s ILE 49 CO 0.10 -0.23 0.64 0.00 0.00 0.00 0.00 174.94 175.44 2wrn n ALA 50 N -2.02 3.42 -0.54 9.38 0.00 -0.50 -2.32 120.51 127.93 2wrn n ALA 50 Ca 0.11 -4.23 -0.20 0.00 0.00 0.00 0.00 53.44 49.13 2wrn n ALA 50 Cb 0.51 -0.87 0.15 0.00 0.00 0.00 0.00 19.45 19.24 2wrn n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrn n VAL 51 N 1.18 0.00 -0.20 0.00 0.31 -1.13 -2.90 118.33 115.60 2wrn n VAL 51 Ca 0.26 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2wrn n VAL 51 Cb 0.45 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2wrn n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrn n TYR 52 N -4.44 0.00 0.00 3.52 9.36 -1.23 0.09 117.16 124.47 2wrn n TYR 52 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 2wrn n TYR 52 Cb 0.39 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 2wrn n TYR 52 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2wrn n ASN 53 N 0.00 0.00 0.00 2.98 6.94 -1.26 -4.60 115.26 119.32 2wrn n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wrn n ASN 53 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wrn n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wrn n GLY 54 N 0.00 1.15 0.00 4.83 0.00 -1.26 -4.97 105.19 104.94 2wrn n GLY 54 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2wrn n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrn n LYS 55 N 0.00 0.00 -1.66 1.61 3.00 -1.26 -5.10 118.16 114.75 2wrn n LYS 55 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2wrn n LYS 55 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 34.77 2wrn n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrn n GLN 56 N -1.21 0.46 -3.25 1.64 10.64 -1.26 -5.13 117.38 119.27 2wrn n GLN 56 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2wrn n GLN 56 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 2wrn n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2wrn s HIS 57 N -1.60 3.17 0.04 2.61 3.76 -1.26 -4.07 115.29 117.94 2wrn s HIS 57 Ca 0.00 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.66 2wrn s HIS 57 Cb 0.00 -2.94 -0.06 0.00 1.11 0.00 0.00 32.58 30.69 2wrn s HIS 57 CO 0.00 -0.59 1.26 0.14 -0.85 0.00 0.00 174.74 174.70 2wrn s VAL 58 N 2.37 3.91 -1.58 -0.90 -7.23 0.11 -4.90 120.40 112.18 2wrn s VAL 58 Ca 0.17 1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 61.58 2wrn s VAL 58 Cb -0.16 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 32.87 2wrn s VAL 58 CO 0.14 0.07 2.76 -0.81 -0.31 0.00 0.00 175.10 176.95 2wrn n PRO 59 N 4.35 3.47 -2.30 4.82 -0.04 -1.26 -2.82 135.00 141.23 2wrn n PRO 59 Ca 0.10 -2.31 -0.41 0.00 -0.04 0.00 0.00 63.50 60.84 2wrn n PRO 59 Cb 0.45 -2.93 -0.03 0.00 -0.04 0.00 0.00 33.50 30.95 2wrn n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrn s VAL 60 N 2.45 3.37 0.00 0.52 0.11 -0.98 -4.99 120.40 120.87 2wrn s VAL 60 Ca 0.64 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 2wrn s VAL 60 Cb 0.17 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2wrn s VAL 60 CO -0.07 0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.89 2wrn n TYR 61 N 2.38 0.00 -3.64 1.54 9.36 -1.26 -2.58 117.16 122.96 2wrn n TYR 61 Ca 0.04 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.22 2wrn n TYR 61 Cb 0.44 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.08 2wrn n TYR 61 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2wrn s ILE 62 N 1.67 0.00 0.00 2.97 1.10 -1.26 -4.41 121.20 121.27 2wrn s ILE 62 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2wrn s ILE 62 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 2wrn s ILE 62 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 174.94 173.90 2wrn n THR 63 N 2.25 0.00 -0.09 4.00 5.66 -1.26 -3.67 114.28 121.17 2wrn n THR 63 Ca -0.13 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.76 2wrn n THR 63 Cb 0.57 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.23 2wrn n THR 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2wrn n GLU 64 N 0.00 0.95 0.30 1.09 0.28 -1.26 -4.32 120.64 117.68 2wrn n GLU 64 Ca 0.00 0.05 0.19 0.00 -0.16 0.00 0.00 57.16 57.24 2wrn n GLU 64 Cb 0.00 -1.43 0.91 0.00 1.43 0.00 0.00 31.44 32.35 2wrn n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2wrn h ASN 65 N 0.00 0.00 -3.70 -1.84 4.21 -2.07 -3.39 115.58 108.78 2wrn h ASN 65 Ca -0.47 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.37 2wrn h ASN 65 Cb 1.92 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.93 2wrn h ASN 65 CO -0.02 0.01 -0.44 0.00 -1.29 0.00 0.00 177.43 175.69 2wrn s MET 66 N -3.90 3.51 0.31 0.81 0.23 -1.26 -4.82 119.30 114.17 2wrn s MET 66 Ca -0.02 -0.60 0.00 0.00 -1.03 0.00 0.00 55.69 54.04 2wrn s MET 66 Cb 0.11 -3.81 0.00 0.00 -1.53 0.00 0.00 34.83 29.60 2wrn s MET 66 CO 0.49 -0.46 0.00 0.28 -2.03 0.00 0.00 175.02 173.30 2wrn n VAL 67 N 5.13 0.00 0.00 5.16 0.31 -1.26 -4.68 118.33 122.99 2wrn n VAL 67 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2wrn n VAL 67 Cb 0.50 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 2wrn n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrn n GLY 68 N -0.05 -0.29 3.88 2.92 0.00 -1.26 -2.93 105.19 107.47 2wrn n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wrn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wrn s HIS 69 N -2.52 3.50 -0.03 1.61 3.76 -1.26 -4.87 115.29 115.48 2wrn s HIS 69 Ca 0.00 0.97 -0.00 0.00 -0.15 0.00 0.00 55.06 55.88 2wrn s HIS 69 Cb 0.00 -2.40 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2wrn s HIS 69 CO 0.00 -0.16 0.01 0.15 -0.85 0.00 0.00 174.74 173.89 2wrn s LYS 70 N -4.12 2.90 0.25 1.40 -0.14 -1.26 -2.57 119.74 116.19 2wrn s LYS 70 Ca 0.50 -0.51 0.09 0.00 -1.36 0.00 0.00 55.97 54.69 2wrn s LYS 70 Cb -0.10 -2.75 0.79 0.00 -1.68 0.00 0.00 37.83 34.09 2wrn s LYS 70 CO 0.36 0.66 1.12 1.28 -0.76 0.00 0.00 175.35 178.01 2wrn n LEU 71 N 1.64 0.11 -0.33 3.17 4.77 -1.25 -0.14 117.00 124.97 2wrn n LEU 71 Ca -0.16 1.19 0.08 0.00 -0.03 0.00 0.00 56.01 57.09 2wrn n LEU 71 Cb 0.53 -0.52 0.24 0.00 -2.33 0.00 0.00 43.42 41.35 2wrn n LEU 71 CO 0.32 -1.28 1.17 1.23 -1.33 0.00 0.00 177.39 177.50 2wrn h GLY 72 N 0.00 1.55 -0.03 -0.72 0.00 -1.71 -0.55 103.07 101.62 2wrn h GLY 72 Ca 0.53 -0.34 0.19 0.00 0.00 0.00 0.00 47.33 47.71 2wrn h GLY 72 CO -0.60 0.04 0.41 0.83 0.00 0.00 0.00 176.54 177.23 2wrn h GLU 73 N 0.80 0.47 -0.49 4.80 5.08 -0.85 0.87 114.58 125.27 2wrn h GLU 73 Ca 0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2wrn h GLU 73 Cb 0.62 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wrn h GLU 73 CO -0.32 0.31 0.00 1.19 -1.00 0.00 0.00 179.01 179.19 2wrn n PHE 74 N -4.98 0.59 -3.81 4.33 3.72 -0.24 -4.52 117.46 112.55 2wrn n PHE 74 Ca 0.20 -0.25 -0.30 0.00 -0.05 0.00 0.00 57.45 57.06 2wrn n PHE 74 Cb 0.57 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.87 2wrn n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wrn s ALA 75 N -1.64 2.26 0.97 4.37 0.00 0.30 -4.83 121.76 123.19 2wrn s ALA 75 Ca 0.22 -2.40 -0.13 0.00 0.00 0.00 0.00 51.96 49.65 2wrn s ALA 75 Cb 0.13 -1.86 0.07 0.00 0.00 0.00 0.00 23.12 21.47 2wrn s ALA 75 CO 0.12 -1.87 0.54 -0.35 0.00 0.00 0.00 175.76 174.20 2wrn n PRO 76 N 4.01 -0.53 0.00 0.00 -0.04 -1.26 -4.84 135.00 132.34 2wrn n PRO 76 Ca 0.04 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2wrn n PRO 76 Cb 0.38 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2wrn n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wrn n THR 77 N -3.86 0.00 -4.23 0.52 -2.24 -1.26 -4.88 114.28 98.33 2wrn n THR 77 Ca 0.07 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 2wrn n THR 77 Cb 0.54 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 2wrn n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrn s ARG 78 N -1.75 2.41 0.12 -0.78 0.52 -1.26 -5.01 118.95 113.21 2wrn s ARG 78 Ca 0.00 -1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 53.75 2wrn s ARG 78 Cb 0.00 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 2wrn s ARG 78 CO 0.00 0.41 0.69 0.99 0.02 0.00 0.00 175.30 177.41 2wrn s THR 79 N -2.01 4.53 -0.24 0.02 2.01 -1.26 -4.57 115.64 114.12 2wrn s THR 79 Ca 0.30 1.50 -0.09 0.00 0.31 0.00 0.00 61.69 63.71 2wrn s THR 79 Cb -0.08 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.40 2wrn s THR 79 CO 0.20 0.53 0.34 0.00 -0.69 0.00 0.00 174.62 175.00 2wrn n TYR 80 N 1.70 -1.96 -2.38 4.92 9.36 -1.26 -5.06 117.16 122.47 2wrn n TYR 80 Ca -0.07 0.79 -0.26 0.00 3.32 0.00 0.00 57.90 61.68 2wrn n TYR 80 Cb 0.50 -2.96 0.14 0.00 -0.63 0.00 0.00 39.34 36.38 2wrn n TYR 80 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wrn s ARG 81 N -1.92 1.30 0.00 2.98 1.81 -1.26 -5.22 118.95 116.64 2wrn s ARG 81 Ca 0.14 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 2wrn s ARG 81 Cb -0.04 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.29 2wrn s ARG 81 CO 0.43 -1.79 0.00 0.41 -0.68 0.00 0.00 175.30 173.67