#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eio n LYS 3 N 0.00 0.36 -2.54 0.11 0.00 -1.26 -4.88 118.16 109.96 2eio n LYS 3 Ca 0.00 -0.03 -0.40 0.00 -0.00 0.00 0.00 58.31 57.87 2eio n LYS 3 Cb 0.00 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.49 2eio n LYS 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2eio s ILE 4 N -2.66 3.68 -0.15 0.58 1.01 -1.26 -4.64 121.20 117.76 2eio s ILE 4 Ca 0.25 1.64 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 2eio s ILE 4 Cb 0.20 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2eio s ILE 4 CO 0.49 0.37 0.04 -0.63 0.00 0.00 0.00 174.94 175.20 2eio s ILE 5 N -0.96 4.61 -0.23 2.92 1.09 -0.65 -5.02 121.20 122.97 2eio s ILE 5 Ca 0.45 -0.11 -0.10 0.00 -1.10 0.00 0.00 60.65 59.79 2eio s ILE 5 Cb -0.30 -3.03 -0.05 0.00 -1.06 0.00 0.00 42.46 38.01 2eio s ILE 5 CO 0.38 0.51 0.15 -1.00 -0.10 0.00 0.00 174.94 174.88 2eio s HIS 6 N -0.05 3.33 0.25 3.97 3.76 -1.26 -0.71 115.29 124.58 2eio s HIS 6 Ca 0.05 0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.25 2eio s HIS 6 Cb -0.12 -2.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 2eio s HIS 6 CO 0.01 0.11 0.32 -0.51 -0.85 0.00 0.00 174.74 173.82 2eio s LEU 7 N 0.88 4.12 0.27 0.89 1.43 0.99 -4.94 118.68 122.32 2eio s LEU 7 Ca 0.07 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2eio s LEU 7 Cb -0.13 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 2eio s LEU 7 CO 0.03 -0.10 0.05 0.42 0.23 0.00 0.00 176.35 176.98 2eio s THR 8 N -2.05 0.92 0.36 5.49 -4.23 -1.26 -4.46 115.64 110.41 2eio s THR 8 Ca 0.35 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.91 2eio s THR 8 Cb -0.09 -2.57 0.15 0.00 1.34 0.00 0.00 72.50 71.34 2eio s THR 8 CO 0.28 -0.13 1.88 0.44 -0.54 0.00 0.00 174.62 176.55 2eio h ASP 9 N 2.34 0.35 0.11 3.99 3.45 -1.91 -1.41 116.42 123.34 2eio h ASP 9 Ca -0.39 -0.07 -0.25 0.00 0.43 0.00 0.00 57.03 56.75 2eio h ASP 9 Cb 1.24 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 39.93 2eio h ASP 9 CO 0.65 0.48 -1.00 0.44 -1.57 0.00 0.00 179.24 178.24 2eio h ASP 10 N 0.35 0.79 -0.06 6.45 3.45 -1.99 -3.23 116.42 122.18 2eio h ASP 10 Ca 0.07 -0.62 0.00 0.00 0.43 0.00 0.00 57.03 56.91 2eio h ASP 10 Cb 0.38 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 2eio h ASP 10 CO 0.02 1.42 0.00 -1.54 -1.57 0.00 0.00 179.24 177.57 2eio n SER 11 N -3.82 1.26 0.18 6.45 3.41 -1.11 -4.01 113.62 115.96 2eio n SER 11 Ca -0.09 -1.49 0.02 0.00 -0.26 0.00 0.00 58.87 57.05 2eio n SER 11 Cb 0.86 -0.03 0.32 0.00 -0.26 0.00 0.00 64.21 65.10 2eio n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2eio h PHE 12 N 1.85 0.00 -0.03 7.33 3.57 -1.27 -1.57 116.94 126.81 2eio h PHE 12 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2eio h PHE 12 Cb 0.40 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.14 2eio h PHE 12 CO 0.03 0.43 -0.32 0.22 -2.23 0.00 0.00 178.31 176.44 2eio h ASP 13 N 0.00 0.34 0.32 0.41 1.82 -1.78 -2.79 116.42 114.74 2eio h ASP 13 Ca -0.00 -0.71 -0.23 0.00 -0.39 0.00 0.00 57.03 55.70 2eio h ASP 13 Cb 0.81 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2eio h ASP 13 CO 0.06 1.00 -0.93 0.74 -1.61 0.00 0.00 179.24 178.49 2eio h THR 14 N -0.29 1.40 0.00 2.25 2.02 -1.80 -1.19 112.91 115.29 2eio h THR 14 Ca -0.03 -2.43 -0.15 0.00 0.77 0.00 0.00 66.41 64.57 2eio h THR 14 Cb 1.02 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 2eio h THR 14 CO 0.07 0.73 -0.72 0.44 0.37 0.00 0.00 175.52 176.40 2eio h ASP 15 N 0.24 0.00 0.00 4.18 3.45 -1.42 -3.35 116.42 119.53 2eio h ASP 15 Ca -0.08 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.35 2eio h ASP 15 Cb 1.57 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.33 2eio h ASP 15 CO 0.16 0.72 -1.12 0.52 -1.57 0.00 0.00 179.24 177.96 2eio n VAL 16 N -3.32 0.12 -0.02 -1.35 0.31 -1.05 -4.53 118.33 108.48 2eio n VAL 16 Ca 0.01 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.14 2eio n VAL 16 Cb 0.81 -0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 32.66 2eio n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2eio h LEU 17 N -0.03 0.42 -1.29 7.52 3.38 -1.40 -3.27 115.31 120.65 2eio h LEU 17 Ca -0.05 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2eio h LEU 17 Cb 1.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2eio h LEU 17 CO -0.02 1.07 0.00 0.29 0.09 0.00 0.00 178.44 179.87 2eio n LYS 18 N -4.36 1.81 -3.35 1.13 5.02 -0.51 -2.93 118.16 114.97 2eio n LYS 18 Ca -0.09 -1.26 -0.25 0.00 -2.02 0.00 0.00 58.31 54.68 2eio n LYS 18 Cb 0.57 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.26 2eio n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eio s ALA 19 N -1.56 3.68 0.31 7.82 0.00 -1.23 -5.00 121.76 125.77 2eio s ALA 19 Ca 0.25 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.49 2eio s ALA 19 Cb 0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 2eio s ALA 19 CO 0.18 0.05 0.21 -0.51 0.00 0.00 0.00 175.76 175.69 2eio s ASP 20 N -3.79 5.12 0.00 0.00 1.01 -1.26 -4.12 116.67 113.63 2eio s ASP 20 Ca 0.41 -0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.15 2eio s ASP 20 Cb -0.10 -0.99 0.00 0.00 1.01 0.00 0.00 42.92 42.84 2eio s ASP 20 CO 0.35 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.10 2eio n GLY 21 N -1.23 -2.34 3.70 0.21 0.00 -1.26 -4.87 105.19 99.41 2eio n GLY 21 Ca -0.04 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2eio n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eio s ALA 22 N -3.69 3.68 -0.16 4.61 0.00 -1.24 -4.34 121.76 120.61 2eio s ALA 22 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.16 2eio s ALA 22 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.49 2eio s ALA 22 CO 0.00 -0.91 -0.19 0.42 0.00 0.00 0.00 175.76 175.08 2eio s ILE 23 N 1.96 2.30 -0.35 0.00 -1.09 -0.62 -1.92 121.20 121.48 2eio s ILE 23 Ca 0.70 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 2eio s ILE 23 Cb -0.39 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.54 2eio s ILE 23 CO 0.31 0.53 0.22 -0.22 -1.23 0.00 0.00 174.94 174.55 2eio s LEU 24 N 0.96 4.55 -0.17 2.97 2.96 -0.43 0.77 118.68 130.29 2eio s LEU 24 Ca -0.03 -0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 2eio s LEU 24 Cb -0.15 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2eio s LEU 24 CO -0.04 -0.29 0.21 -0.69 -1.32 0.00 0.00 176.35 174.22 2eio s VAL 25 N 1.66 5.36 -0.31 1.68 1.01 0.22 -0.05 120.40 129.96 2eio s VAL 25 Ca 0.05 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 2eio s VAL 25 Cb -0.18 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2eio s VAL 25 CO 0.09 0.43 0.08 -0.62 0.00 0.00 0.00 175.10 175.08 2eio s ASP 26 N 0.30 5.17 -0.28 3.32 3.68 0.22 -1.02 116.67 128.07 2eio s ASP 26 Ca 0.13 -0.93 -0.21 0.00 2.13 0.00 0.00 52.55 53.67 2eio s ASP 26 Cb -0.12 -1.86 -0.01 0.00 -1.45 0.00 0.00 42.92 39.48 2eio s ASP 26 CO 0.01 -0.25 0.68 -0.36 0.13 0.00 0.00 175.17 175.38 2eio s PHE 27 N 1.44 3.25 0.26 -5.34 0.08 -0.90 -1.73 117.98 115.03 2eio s PHE 27 Ca 0.00 0.79 0.06 0.00 0.12 0.00 0.00 56.93 57.90 2eio s PHE 27 Cb -0.18 -2.97 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2eio s PHE 27 CO 0.02 -0.42 0.22 -2.67 -0.10 0.00 0.00 175.22 172.27 2eio n TRP 28 N 5.88 -0.63 -3.48 0.36 4.27 -1.14 -3.64 117.44 119.06 2eio n TRP 28 Ca 0.01 -2.17 -0.12 0.00 -3.89 0.00 0.00 57.50 51.33 2eio n TRP 28 Cb 0.49 0.23 -0.03 0.00 -1.36 0.00 0.00 31.31 30.63 2eio n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2eio s ALA 29 N -3.05 -1.74 0.35 -1.67 0.00 -1.26 -1.15 121.76 113.23 2eio s ALA 29 Ca 0.31 0.93 0.14 0.00 0.00 0.00 0.00 51.96 53.34 2eio s ALA 29 Cb 0.01 0.40 0.72 0.00 0.00 0.00 0.00 23.12 24.26 2eio s ALA 29 CO 0.22 -0.62 1.81 0.93 0.00 0.00 0.00 175.76 178.10 2eio h GLU 30 N 2.23 0.00 0.00 0.00 3.07 -2.01 -2.74 114.58 115.13 2eio h GLU 30 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2eio h GLU 30 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2eio h GLU 30 CO 0.35 0.38 0.00 -2.67 -1.40 0.00 0.00 179.01 175.67 2eio n TRP 31 N -3.98 0.38 -3.01 4.33 4.27 -1.26 -4.72 117.44 113.45 2eio n TRP 31 Ca -0.02 0.12 -0.43 0.00 -3.89 0.00 0.00 57.50 53.29 2eio n TRP 31 Cb 0.43 -0.70 -0.06 0.00 -1.36 0.00 0.00 31.31 29.62 2eio n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2eio h GLY 33 N 10.11 0.23 0.79 0.00 0.00 -1.87 -2.78 103.07 109.54 2eio h GLY 33 Ca -0.26 -0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.07 2eio h GLY 33 CO 0.97 0.16 0.44 -2.55 0.00 0.00 0.00 176.54 175.55 2eio h PRO 34 N -0.08 0.06 -0.25 4.80 0.11 -1.92 0.42 132.00 135.14 2eio h PRO 34 Ca 0.03 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2eio h PRO 34 Cb 0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2eio h PRO 34 CO 0.01 0.04 0.07 0.00 -0.21 0.00 0.00 178.00 177.90 2eio h LYS 36 N 0.23 0.51 -0.40 0.00 1.57 -0.73 -1.17 116.57 116.58 2eio h LYS 36 Ca 0.08 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2eio h LYS 36 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2eio h LYS 36 CO -0.00 0.34 -0.21 0.52 -0.57 0.00 0.00 179.45 179.52 2eio h MET 37 N 0.52 0.78 0.00 3.15 2.86 -0.85 -3.14 114.93 118.25 2eio h MET 37 Ca 0.19 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2eio h MET 37 Cb 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2eio h MET 37 CO -0.05 0.92 -0.54 -0.84 1.06 0.00 0.00 176.91 177.47 2eio h ILE 38 N 0.68 0.00 -0.22 -1.22 3.07 -0.72 -3.38 117.51 115.71 2eio h ILE 38 Ca 0.10 -0.81 0.05 0.00 1.55 0.00 0.00 64.86 65.74 2eio h ILE 38 Cb 0.72 1.52 -0.07 0.00 -0.27 0.00 0.00 36.82 38.71 2eio h ILE 38 CO 0.06 0.00 -0.46 0.00 -1.05 0.00 0.00 178.15 176.69 2eio h ALA 39 N 2.19 -0.64 -0.90 0.16 0.00 -1.19 -0.62 119.26 118.26 2eio h ALA 39 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2eio h ALA 39 Cb 0.91 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 2eio h ALA 39 CO 0.00 -0.96 0.54 -1.35 0.00 0.00 0.00 179.25 177.47 2eio h PRO 40 N -0.47 0.83 -0.79 0.00 0.11 -1.74 -1.63 132.00 128.31 2eio h PRO 40 Ca 0.08 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2eio h PRO 40 Cb 0.63 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 2eio h PRO 40 CO -0.47 0.55 0.39 0.82 -0.21 0.00 0.00 178.00 179.08 2eio h ILE 41 N 0.86 1.25 -0.36 4.15 2.04 -1.51 -2.45 117.51 121.48 2eio h ILE 41 Ca 0.45 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2eio h ILE 41 Cb 0.46 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2eio h ILE 41 CO -0.27 0.29 -0.08 -0.07 0.00 0.00 0.00 178.15 178.03 2eio h LEU 42 N 1.13 0.58 -1.44 1.44 3.38 -0.19 -0.07 115.31 120.14 2eio h LEU 42 Ca 0.27 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2eio h LEU 42 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2eio h LEU 42 CO -0.04 0.70 -0.13 0.44 0.09 0.00 0.00 178.44 179.51 2eio h ASP 43 N 0.56 0.20 0.33 -0.43 5.19 -1.03 0.26 116.42 121.50 2eio h ASP 43 Ca 0.11 -0.04 -0.33 0.00 -0.62 0.00 0.00 57.03 56.15 2eio h ASP 43 Cb 0.47 -0.05 0.03 0.00 0.18 0.00 0.00 39.33 39.96 2eio h ASP 43 CO 0.02 0.35 -1.44 -0.33 -3.12 0.00 0.00 179.24 174.72 2eio h GLU 44 N 0.20 0.50 -0.44 3.56 5.08 -1.13 -2.85 114.58 119.49 2eio h GLU 44 Ca 0.04 -0.85 -0.03 0.00 -1.00 0.00 0.00 59.36 57.53 2eio h GLU 44 Cb 0.35 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2eio h GLU 44 CO 0.02 1.41 0.17 0.82 -1.00 0.00 0.00 179.01 180.42 2eio h ILE 45 N 0.14 1.21 -0.78 3.13 1.08 -0.67 0.47 117.51 122.09 2eio h ILE 45 Ca -0.24 -0.66 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 2eio h ILE 45 Cb 2.14 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 36.65 2eio h ILE 45 CO 0.26 0.24 0.51 0.00 -0.69 0.00 0.00 178.15 178.48 2eio h ALA 46 N 1.01 1.53 -0.01 1.87 0.00 -0.57 0.62 119.26 123.71 2eio h ALA 46 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2eio h ALA 46 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2eio h ALA 46 CO -0.01 0.40 -0.10 0.22 0.00 0.00 0.00 179.25 179.76 2eio h ASP 47 N 0.96 0.10 -0.04 0.00 3.58 -1.13 -2.81 116.42 117.08 2eio h ASP 47 Ca 0.31 -0.74 -0.09 0.00 0.42 0.00 0.00 57.03 56.93 2eio h ASP 47 Cb 0.03 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2eio h ASP 47 CO -0.09 0.82 -0.24 -0.33 -2.88 0.00 0.00 179.24 176.53 2eio h GLU 48 N -0.62 0.45 -0.55 0.28 5.08 0.14 -3.01 114.58 116.35 2eio h GLU 48 Ca -0.01 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2eio h GLU 48 Cb 0.83 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2eio h GLU 48 CO 0.02 0.66 0.04 0.66 -1.00 0.00 0.00 179.01 179.39 2eio n TYR 49 N -4.13 1.98 -1.73 4.33 4.02 0.19 -4.99 117.16 116.82 2eio n TYR 49 Ca -0.00 -0.83 -0.42 0.00 -0.01 0.00 0.00 57.90 56.64 2eio n TYR 49 Cb 0.39 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 39.17 2eio n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2eio n GLN 50 N 0.33 2.71 0.00 -0.72 10.64 -1.06 -1.10 117.38 128.18 2eio n GLN 50 Ca 0.29 0.97 0.00 0.00 -1.83 0.00 0.00 57.00 56.43 2eio n GLN 50 Cb 1.19 -2.78 0.00 0.00 -0.86 0.00 0.00 30.24 27.78 2eio n GLN 50 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2eio n GLY 51 N 3.07 2.67 0.06 2.61 0.00 -1.26 -4.79 105.19 107.56 2eio n GLY 51 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2eio n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eio n LYS 52 N -0.08 0.92 -4.42 1.61 3.00 -0.59 -5.02 118.16 113.57 2eio n LYS 52 Ca 0.00 0.05 -0.21 0.00 -0.00 0.00 0.00 58.31 58.15 2eio n LYS 52 Cb 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 35.03 33.61 2eio n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2eio s LEU 53 N -5.47 1.79 -0.17 3.14 2.96 -0.26 -3.68 118.68 117.00 2eio s LEU 53 Ca -0.14 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2eio s LEU 53 Cb 0.04 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 2eio s LEU 53 CO 0.34 0.07 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.50 2eio s THR 54 N 0.19 3.68 -0.08 3.68 2.01 -0.81 -4.39 115.64 119.92 2eio s THR 54 Ca -0.03 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 2eio s THR 54 Cb -0.09 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 2eio s THR 54 CO 0.01 0.48 0.52 -0.69 -0.69 0.00 0.00 174.62 174.24 2eio s VAL 55 N 0.61 5.10 -0.00 3.82 1.01 -1.26 -1.32 120.40 128.36 2eio s VAL 55 Ca -0.03 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.07 2eio s VAL 55 Cb -0.15 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2eio s VAL 55 CO 0.03 0.36 -0.21 0.00 0.00 0.00 0.00 175.10 175.27 2eio s ALA 56 N 0.34 1.74 0.02 5.51 0.00 0.93 -1.64 121.76 128.65 2eio s ALA 56 Ca 0.28 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.40 2eio s ALA 56 Cb -0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2eio s ALA 56 CO 0.13 0.42 -0.26 0.15 0.00 0.00 0.00 175.76 176.20 2eio s LYS 57 N -0.64 1.92 -0.16 0.00 1.02 0.11 0.72 119.74 122.70 2eio s LYS 57 Ca 0.08 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 2eio s LYS 57 Cb -0.08 -2.01 0.06 0.00 -0.52 0.00 0.00 37.83 35.27 2eio s LYS 57 CO -0.00 0.53 0.06 -1.17 -0.92 0.00 0.00 175.35 173.85 2eio s LEU 58 N -1.03 0.63 -0.29 3.17 0.20 -0.71 -0.01 118.68 120.65 2eio s LEU 58 Ca 0.11 -0.61 -0.29 0.00 0.69 0.00 0.00 54.13 54.03 2eio s LEU 58 Cb -0.10 -0.37 -0.01 0.00 -0.43 0.00 0.00 46.19 45.28 2eio s LEU 58 CO 0.01 -0.32 1.52 0.21 -0.29 0.00 0.00 176.35 177.48 2eio s ASN 59 N 2.03 6.39 0.12 3.68 3.84 -1.26 -2.88 114.94 126.87 2eio s ASN 59 Ca 0.01 1.34 -0.18 0.00 0.21 0.00 0.00 52.86 54.24 2eio s ASN 59 Cb -0.16 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 2eio s ASN 59 CO -0.08 -1.29 1.72 0.40 -2.79 0.00 0.00 177.10 175.05 2eio h ILE 60 N 6.23 1.14 -0.38 -5.21 2.04 -1.34 0.22 117.51 120.20 2eio h ILE 60 Ca -0.31 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2eio h ILE 60 Cb 1.13 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 2eio h ILE 60 CO 1.03 0.14 0.14 0.44 0.00 0.00 0.00 178.15 179.90 2eio h ASP 61 N 0.36 0.16 0.13 1.72 3.32 -1.91 0.36 116.42 120.56 2eio h ASP 61 Ca 0.11 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2eio h ASP 61 Cb 0.08 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2eio h ASP 61 CO -0.02 0.13 -0.03 0.00 -1.72 0.00 0.00 179.24 177.61 2eio n GLN 62 N -5.00 1.03 -2.97 3.56 3.00 -1.17 -4.30 117.38 111.52 2eio n GLN 62 Ca 0.02 -0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 56.57 2eio n GLN 62 Cb 0.13 -1.49 -0.01 0.00 0.00 0.00 0.00 30.24 28.87 2eio n GLN 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2eio n ASN 63 N -0.75 -1.24 -4.45 1.08 3.02 0.75 -4.92 115.26 108.76 2eio n ASN 63 Ca 0.20 -3.05 -0.29 0.00 -0.03 0.00 0.00 54.58 51.41 2eio n ASN 63 Cb 0.22 0.58 0.14 0.00 -0.61 0.00 0.00 39.78 40.11 2eio n ASN 63 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2eio s PRO 64 N -0.40 1.20 0.00 3.52 0.04 -0.07 -4.24 135.00 135.06 2eio s PRO 64 Ca 0.33 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2eio s PRO 64 Cb 0.22 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2eio s PRO 64 CO -0.16 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.26 2eio n GLY 65 N -3.51 2.11 0.09 0.56 0.00 -1.26 -4.75 105.19 98.43 2eio n GLY 65 Ca 0.13 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2eio n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2eio h THR 66 N 0.00 1.48 -0.48 2.61 2.02 -1.96 -3.26 112.91 113.32 2eio h THR 66 Ca 0.00 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2eio h THR 66 Cb 0.00 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2eio h THR 66 CO 0.00 0.44 0.32 0.00 0.37 0.00 0.00 175.52 176.64 2eio h ALA 67 N 0.38 0.61 0.00 6.16 0.00 -1.85 -2.12 119.26 122.44 2eio h ALA 67 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2eio h ALA 67 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2eio h ALA 67 CO 0.03 0.07 0.02 -1.35 0.00 0.00 0.00 179.25 178.01 2eio h PRO 68 N 0.65 0.00 0.00 0.00 0.11 -1.89 -1.39 132.00 129.49 2eio h PRO 68 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2eio h PRO 68 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2eio h PRO 68 CO -0.04 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 178.92 2eio n LYS 69 N -2.76 0.49 -2.46 1.05 4.81 -0.80 -3.68 118.16 114.82 2eio n LYS 69 Ca -0.02 0.02 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 2eio n LYS 69 Cb 0.07 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.67 2eio n LYS 69 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2eio n TYR 70 N -1.22 1.57 -2.79 5.64 4.02 -0.52 -4.99 117.16 118.85 2eio n TYR 70 Ca 0.15 -2.04 -0.14 0.00 -0.01 0.00 0.00 57.90 55.85 2eio n TYR 70 Cb 0.19 -0.26 -0.01 0.00 -0.02 0.00 0.00 39.34 39.25 2eio n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2eio n GLY 71 N -0.58 -0.49 3.56 2.72 0.00 -1.24 -4.85 105.19 104.30 2eio n GLY 71 Ca 0.18 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2eio n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eio s ILE 72 N -2.63 3.60 -1.89 -0.61 1.01 -1.22 -4.81 121.20 114.65 2eio s ILE 72 Ca 0.15 -0.41 0.19 0.00 0.00 0.00 0.00 60.65 60.58 2eio s ILE 72 Cb -0.08 -4.37 0.51 0.00 0.01 0.00 0.00 42.46 38.53 2eio s ILE 72 CO 0.18 -1.30 1.55 0.54 0.00 0.00 0.00 174.94 175.91 2eio n ARG 73 N 8.92 0.54 0.00 2.79 1.74 -1.26 -4.84 116.66 124.55 2eio n ARG 73 Ca 0.35 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2eio n ARG 73 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2eio n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eio n GLY 74 N 0.22 0.36 3.20 -0.13 0.00 -1.26 -5.18 105.19 102.41 2eio n GLY 74 Ca 0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2eio n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2eio s ILE 75 N -2.00 0.91 0.43 -0.61 -4.36 -1.26 -4.20 121.20 110.11 2eio s ILE 75 Ca 0.00 -1.97 -0.24 0.00 -0.26 0.00 0.00 60.65 58.19 2eio s ILE 75 Cb 0.00 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 41.90 2eio s ILE 75 CO 0.00 -0.80 1.15 -2.16 0.24 0.00 0.00 174.94 173.37 2eio s PRO 76 N -3.71 3.93 -0.02 0.37 0.04 -1.26 -4.88 135.00 129.46 2eio s PRO 76 Ca 0.13 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2eio s PRO 76 Cb 0.03 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2eio s PRO 76 CO -0.02 -0.40 0.02 0.99 0.04 0.00 0.00 177.00 177.63 2eio s THR 77 N -1.51 0.03 -0.17 1.26 2.01 -1.24 -1.31 115.64 114.71 2eio s THR 77 Ca 0.60 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.75 2eio s THR 77 Cb -0.28 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2eio s THR 77 CO 0.35 0.11 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.57 2eio s LEU 78 N 1.09 2.99 -0.15 4.42 1.43 0.24 -2.12 118.68 126.57 2eio s LEU 78 Ca -0.09 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2eio s LEU 78 Cb -0.13 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2eio s LEU 78 CO -0.03 0.11 -0.09 -0.76 0.23 0.00 0.00 176.35 175.81 2eio s LEU 79 N 0.70 2.86 -0.26 1.79 1.02 -0.19 -0.82 118.68 123.78 2eio s LEU 79 Ca -0.03 -0.30 -0.09 0.00 0.02 0.00 0.00 54.13 53.73 2eio s LEU 79 Cb -0.15 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 2eio s LEU 79 CO 0.02 0.13 0.12 -0.22 0.02 0.00 0.00 176.35 176.42 2eio s LEU 80 N 0.57 3.70 0.16 1.79 2.96 -0.31 0.68 118.68 128.23 2eio s LEU 80 Ca -0.06 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2eio s LEU 80 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2eio s LEU 80 CO 0.03 -0.05 0.21 -0.36 -1.32 0.00 0.00 176.35 174.86 2eio s PHE 81 N 1.67 3.31 -0.21 5.38 0.40 0.23 0.15 117.98 128.91 2eio s PHE 81 Ca 0.07 0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 2eio s PHE 81 Cb -0.16 -1.59 0.10 0.00 0.51 0.00 0.00 43.02 41.89 2eio s PHE 81 CO 0.07 0.52 0.27 0.15 0.70 0.00 0.00 175.22 176.92 2eio s LYS 82 N -3.16 0.23 -0.74 0.44 1.02 -0.07 -1.58 119.74 115.88 2eio s LYS 82 Ca 0.33 0.33 -0.06 0.00 0.02 0.00 0.00 55.97 56.59 2eio s LYS 82 Cb -0.11 -0.94 0.01 0.00 -0.52 0.00 0.00 37.83 36.28 2eio s LYS 82 CO 0.26 -0.63 0.50 0.27 -0.92 0.00 0.00 175.35 174.83 2eio n ASN 83 N 5.33 -3.78 0.00 2.83 0.23 -1.26 -1.94 115.26 116.68 2eio n ASN 83 Ca -0.05 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 2eio n ASN 83 Cb 0.50 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.91 2eio n ASN 83 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2eio n GLY 84 N -1.53 0.42 3.14 4.83 0.00 -1.15 -5.01 105.19 105.90 2eio n GLY 84 Ca -0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 2eio n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eio s GLU 85 N -0.62 0.74 -0.64 1.61 2.12 -0.82 -4.93 118.70 116.17 2eio s GLU 85 Ca 0.00 -0.89 -0.27 0.00 0.36 0.00 0.00 54.97 54.16 2eio s GLU 85 Cb 0.00 -0.69 0.02 0.00 0.26 0.00 0.00 34.13 33.72 2eio s GLU 85 CO 0.00 0.15 1.38 0.08 -0.54 0.00 0.00 175.26 176.33 2eio s VAL 86 N -1.28 3.75 0.15 3.70 1.01 -1.26 -0.89 120.40 125.58 2eio s VAL 86 Ca -0.04 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2eio s VAL 86 Cb -0.10 -4.61 -0.11 0.00 0.00 0.00 0.00 36.38 31.56 2eio s VAL 86 CO 0.02 -1.42 1.40 0.00 0.00 0.00 0.00 175.10 175.10 2eio h ALA 87 N 10.87 0.51 -1.56 5.51 0.00 -0.62 -3.48 119.26 130.48 2eio h ALA 87 Ca -0.27 -0.58 0.14 0.00 0.00 0.00 0.00 54.91 54.20 2eio h ALA 87 Cb 1.08 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 2eio h ALA 87 CO 1.22 0.72 0.66 0.00 0.00 0.00 0.00 179.25 181.85 2eio s ALA 88 N -3.77 -1.97 0.09 0.00 0.00 -1.19 -5.02 121.76 109.89 2eio s ALA 88 Ca -0.08 1.56 0.08 0.00 0.00 0.00 0.00 51.96 53.52 2eio s ALA 88 Cb 0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2eio s ALA 88 CO 0.87 -0.40 -0.20 0.95 0.00 0.00 0.00 175.76 176.97 2eio s THR 89 N -1.61 1.67 -0.10 0.00 -4.23 -1.26 -1.16 115.64 108.95 2eio s THR 89 Ca 0.03 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2eio s THR 89 Cb -0.01 -1.52 0.02 0.00 1.34 0.00 0.00 72.50 72.34 2eio s THR 89 CO -0.03 -0.04 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.40 2eio s LYS 90 N -1.82 1.38 0.07 3.99 -0.14 0.00 -4.99 119.74 118.23 2eio s LYS 90 Ca 0.06 -0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.48 2eio s LYS 90 Cb -0.10 -1.46 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 2eio s LYS 90 CO 0.04 -0.24 0.14 0.08 -0.76 0.00 0.00 175.35 174.61 2eio s VAL 91 N 1.64 4.94 0.00 3.17 1.01 -1.26 -0.59 120.40 129.31 2eio s VAL 91 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2eio s VAL 91 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2eio s VAL 91 CO -0.07 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2eio n GLY 92 N 0.39 -1.34 3.81 4.51 0.00 -0.43 -4.92 105.19 107.21 2eio n GLY 92 Ca -0.07 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 2eio n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eio s ALA 93 N -1.78 2.93 0.20 4.61 0.00 -1.26 -4.77 121.76 121.69 2eio s ALA 93 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2eio s ALA 93 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2eio s ALA 93 CO 0.00 -0.19 0.11 -0.51 0.00 0.00 0.00 175.76 175.17 2eio s LEU 94 N -3.47 1.33 0.28 0.00 1.02 -1.26 -5.14 118.68 111.45 2eio s LEU 94 Ca 0.65 -1.36 0.05 0.00 0.02 0.00 0.00 54.13 53.49 2eio s LEU 94 Cb -0.14 0.30 -0.02 0.00 0.02 0.00 0.00 46.19 46.35 2eio s LEU 94 CO 0.19 -0.80 0.42 -0.94 0.02 0.00 0.00 176.35 175.24 2eio s SER 95 N -3.17 6.21 0.17 2.29 1.04 -1.26 -4.84 113.70 114.13 2eio s SER 95 Ca 0.36 0.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.68 2eio s SER 95 Cb 0.07 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.61 2eio s SER 95 CO 0.11 -0.21 1.72 0.50 0.98 0.00 0.00 173.24 176.34 2eio h LYS 96 N 1.03 0.19 -0.39 4.02 3.64 -1.99 -0.89 116.57 122.18 2eio h LYS 96 Ca -0.50 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2eio h LYS 96 Cb 1.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2eio h LYS 96 CO 0.59 0.12 0.20 0.78 -2.27 0.00 0.00 179.45 178.87 2eio h GLY 97 N 0.19 0.57 0.95 5.01 0.00 -1.99 0.13 103.07 107.93 2eio h GLY 97 Ca 0.20 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 2eio h GLY 97 CO -0.27 0.23 -0.19 1.46 0.00 0.00 0.00 176.54 177.78 2eio h GLN 98 N 0.54 0.68 -0.76 4.80 4.20 -1.72 -0.94 115.11 121.91 2eio h GLN 98 Ca 0.14 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2eio h GLN 98 Cb 0.04 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2eio h GLN 98 CO -0.02 0.91 0.30 1.25 -0.67 0.00 0.00 178.83 180.60 2eio h LEU 99 N 0.44 1.05 -0.60 1.46 5.85 -0.54 -1.67 115.31 121.30 2eio h LEU 99 Ca 0.07 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2eio h LEU 99 Cb 0.73 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2eio h LEU 99 CO 0.05 0.94 0.26 0.11 -0.34 0.00 0.00 178.44 179.46 2eio h LYS 100 N 1.10 0.89 -0.72 1.25 1.57 -0.80 0.13 116.57 119.99 2eio h LYS 100 Ca 0.25 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2eio h LYS 100 Cb 0.21 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2eio h LYS 100 CO -0.02 0.74 0.38 0.00 -0.57 0.00 0.00 179.45 179.98 2eio h PHE 102 N 0.99 1.04 0.43 0.00 3.04 -0.97 -2.77 116.94 118.70 2eio h PHE 102 Ca 0.25 -0.15 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 2eio h PHE 102 Cb 0.05 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.29 2eio h PHE 102 CO -0.00 0.90 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.92 2eio h LEU 103 N 0.87 -0.49 -1.27 0.59 3.38 -0.13 -3.24 115.31 115.03 2eio h LEU 103 Ca 0.18 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2eio h LEU 103 Cb 0.43 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2eio h LEU 103 CO 0.01 -0.11 0.58 0.44 0.09 0.00 0.00 178.44 179.45 2eio h ASP 104 N -0.93 0.67 0.00 -0.43 3.32 -0.71 -0.10 116.42 118.24 2eio h ASP 104 Ca -0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2eio h ASP 104 Cb 0.56 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2eio h ASP 104 CO 0.10 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 2eio n ALA 105 N -2.43 2.37 -0.84 3.45 0.00 -1.04 -3.42 120.51 118.59 2eio n ALA 105 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2eio n ALA 105 Cb 0.46 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2eio n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2eio n ASN 106 N -0.95 0.29 -1.93 0.00 3.02 -0.11 -4.86 115.26 110.71 2eio n ASN 106 Ca 0.16 -1.13 -0.18 0.00 -0.03 0.00 0.00 54.58 53.39 2eio n ASN 106 Cb 0.07 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 2eio n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2eio n LEU 107 N -0.07 6.57 0.00 3.41 4.77 -0.81 -5.00 117.00 125.86 2eio n LEU 107 Ca 0.00 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.59 2eio n LEU 107 Cb 0.43 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2eio n LEU 107 CO 0.00 1.24 0.00 0.00 -1.33 0.00 0.00 177.39 177.30