#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c n SER 2 N 0.00 0.66 -0.10 1.61 7.64 -1.26 -4.89 113.62 117.28 2d8c n SER 2 Ca 0.00 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.90 2d8c n SER 2 Cb 0.00 -0.97 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 2d8c n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8c n SER 3 N 2.43 1.94 -0.12 6.43 2.88 -1.26 -5.12 113.62 120.79 2d8c n SER 3 Ca 0.23 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2d8c n SER 3 Cb 0.07 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2d8c n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8c n GLY 4 N 1.43 0.26 3.19 0.46 0.00 -1.26 -5.08 105.19 104.19 2d8c n GLY 4 Ca -0.22 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 2d8c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8c s SER 5 N 0.00 3.94 -0.03 1.61 1.04 -1.26 -5.07 113.70 113.92 2d8c s SER 5 Ca 0.00 -0.73 -0.39 0.00 0.48 0.00 0.00 55.95 55.31 2d8c s SER 5 Cb 0.00 -1.61 -0.18 0.00 0.10 0.00 0.00 66.02 64.33 2d8c s SER 5 CO 0.00 -0.07 1.35 -1.20 0.98 0.00 0.00 173.24 174.30 2d8c n SER 6 N 4.66 1.30 0.00 7.02 7.64 -1.26 -4.20 113.62 128.78 2d8c n SER 6 Ca -0.18 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2d8c n SER 6 Cb 0.48 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2d8c n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8c n GLY 7 N 2.61 0.90 3.86 0.23 0.00 -1.26 -5.01 105.19 106.52 2d8c n GLY 7 Ca 0.21 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2d8c n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2d8c n MET 8 N 0.00 -0.86 -2.05 1.61 0.00 -1.26 -4.72 117.12 109.84 2d8c n MET 8 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 57.70 57.50 2d8c n MET 8 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 33.22 29.99 2d8c n MET 8 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2d8c s LEU 9 N -6.05 3.19 -0.25 3.17 2.34 -1.26 -4.69 118.68 115.14 2d8c s LEU 9 Ca 0.33 -0.50 -0.04 0.00 0.06 0.00 0.00 54.13 53.99 2d8c s LEU 9 Cb -0.20 -2.55 -0.17 0.00 -0.56 0.00 0.00 46.19 42.71 2d8c s LEU 9 CO 0.77 -2.67 -0.18 -1.54 -1.06 0.00 0.00 176.35 171.67 2d8c n SER 10 N 13.73 1.99 -4.55 1.48 3.41 -1.26 -4.78 113.62 123.64 2d8c n SER 10 Ca 0.37 0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.60 2d8c n SER 10 Cb 0.48 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2d8c n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8c s ALA 11 N -2.52 2.79 -0.19 7.33 0.00 -1.26 -4.71 121.76 123.20 2d8c s ALA 11 Ca -0.34 -2.15 -0.07 0.00 0.00 0.00 0.00 51.96 49.40 2d8c s ALA 11 Cb 0.10 -4.43 -0.09 0.00 0.00 0.00 0.00 23.12 18.70 2d8c s ALA 11 CO 0.59 -3.49 -0.23 -2.13 0.00 0.00 0.00 175.76 170.51 2d8c n ARG 12 N 8.73 0.42 -1.65 0.00 3.00 -1.26 -5.02 116.66 120.87 2d8c n ARG 12 Ca 0.26 0.16 -0.30 0.00 -0.00 0.00 0.00 57.85 57.97 2d8c n ARG 12 Cb 0.50 -1.23 0.07 0.00 0.00 0.00 0.00 32.46 31.81 2d8c n ARG 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2d8c s THR 13 N -2.35 3.29 -0.11 5.15 -1.32 -1.26 -5.00 115.64 114.04 2d8c s THR 13 Ca -0.26 0.42 0.15 0.00 -1.21 0.00 0.00 61.69 60.79 2d8c s THR 13 Cb 0.09 -3.24 0.24 0.00 -1.51 0.00 0.00 72.50 68.08 2d8c s THR 13 CO 0.36 -0.55 1.12 1.15 -2.21 0.00 0.00 174.62 174.49 2d8c n MET 14 N -3.27 1.02 0.22 7.08 0.00 -1.26 -4.67 117.12 116.23 2d8c n MET 14 Ca 0.07 -2.28 0.08 0.00 0.00 0.00 0.00 57.70 55.57 2d8c n MET 14 Cb 0.56 -1.29 0.48 0.00 0.00 0.00 0.00 33.22 32.98 2d8c n MET 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2d8c h LYS 15 N 0.04 0.00 0.00 3.17 3.11 -1.93 -3.35 116.57 117.61 2d8c h LYS 15 Ca -0.00 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.68 2d8c h LYS 15 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 2d8c h LYS 15 CO 0.00 0.27 -1.35 -0.85 -2.81 0.00 0.00 179.45 174.71 2d8c n GLU 16 N -3.65 0.34 -1.76 1.90 0.28 -1.26 -4.09 120.64 112.40 2d8c n GLU 16 Ca -0.01 0.14 -0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2d8c n GLU 16 Cb 0.39 -1.08 -0.00 0.00 1.43 0.00 0.00 31.44 32.18 2d8c n GLU 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2d8c n VAL 17 N -3.90 -0.01 -0.02 3.84 3.14 -1.26 -4.57 118.33 115.57 2d8c n VAL 17 Ca -0.22 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.14 2d8c n VAL 17 Cb 0.55 -0.04 -0.01 0.00 -1.06 0.00 0.00 33.84 33.27 2d8c n VAL 17 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2d8c n VAL 18 N -1.78 0.18 1.25 1.55 0.24 -1.26 -2.63 118.33 115.88 2d8c n VAL 18 Ca -0.00 -0.07 0.09 0.00 -2.04 0.00 0.00 64.34 62.32 2d8c n VAL 18 Cb 0.26 -0.63 0.34 0.00 -1.47 0.00 0.00 33.84 32.34 2d8c n VAL 18 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2d8c n TYR 19 N -2.55 0.23 -0.46 6.34 4.01 -1.26 -1.49 117.16 121.97 2d8c n TYR 19 Ca -0.05 -0.12 -0.24 0.00 -0.16 0.00 0.00 57.90 57.33 2d8c n TYR 19 Cb 0.56 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.79 2d8c n TYR 19 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2d8c n TRP 20 N 0.23 -2.53 -3.68 -0.72 7.02 -1.26 -4.92 117.44 111.57 2d8c n TRP 20 Ca 0.15 -0.21 -0.21 0.00 -1.02 0.00 0.00 57.50 56.21 2d8c n TRP 20 Cb 0.29 -1.42 -0.03 0.00 -2.42 0.00 0.00 31.31 27.73 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2d8c s SER 21 N -2.27 5.33 0.27 -0.99 0.01 -1.26 -4.33 113.70 110.47 2d8c s SER 21 Ca 0.49 -0.51 0.24 0.00 1.31 0.00 0.00 55.95 57.48 2d8c s SER 21 Cb -0.10 -0.90 1.00 0.00 0.21 0.00 0.00 66.02 66.23 2d8c s SER 21 CO 0.46 -0.44 1.72 -0.81 0.41 0.00 0.00 173.24 174.58 2d8c n PRO 22 N -1.46 0.20 -0.01 12.44 -0.04 -1.26 -2.42 135.00 142.45 2d8c n PRO 22 Ca -0.00 0.44 0.03 0.00 -0.04 0.00 0.00 63.50 63.92 2d8c n PRO 22 Cb 0.60 -1.89 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 2d8c n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8c n LYS 23 N -2.27 0.65 -0.02 0.54 4.76 -1.26 -4.43 118.16 116.13 2d8c n LYS 23 Ca 0.02 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.35 2d8c n LYS 23 Cb 0.23 -1.62 -0.08 0.00 -1.84 0.00 0.00 35.03 31.72 2d8c n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2d8c h LYS 24 N 0.00 -0.06 -1.43 1.97 1.63 -1.84 -3.26 116.57 113.57 2d8c h LYS 24 Ca -0.18 0.00 0.48 0.00 -0.85 0.00 0.00 60.65 60.10 2d8c h LYS 24 Cb 1.46 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 32.98 2d8c h LYS 24 CO 0.02 0.50 0.94 0.28 -3.45 0.00 0.00 179.45 177.74 2d8c n VAL 25 N -4.76 -0.21 0.22 2.00 0.31 -1.01 -0.13 118.33 114.76 2d8c n VAL 25 Ca -0.07 1.71 -0.11 0.00 -0.01 0.00 0.00 64.34 65.85 2d8c n VAL 25 Cb 0.29 -2.80 -0.06 0.00 -0.91 0.00 0.00 33.84 30.36 2d8c n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d8c h ALA 26 N 1.46 -0.63 -1.42 3.52 0.00 -1.77 -3.09 119.26 117.33 2d8c h ALA 26 Ca 0.87 -0.17 0.42 0.00 0.00 0.00 0.00 54.91 56.03 2d8c h ALA 26 Cb 2.90 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 20.85 2d8c h ALA 26 CO -0.38 -0.62 0.98 -0.44 0.00 0.00 0.00 179.25 178.79 2d8c h ASP 27 N -1.10 0.13 -0.10 0.00 5.19 -0.57 1.23 116.42 121.21 2d8c h ASP 27 Ca -0.06 0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 2d8c h ASP 27 Cb 0.54 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2d8c h ASP 27 CO 0.10 -0.05 -0.36 -0.25 -3.12 0.00 0.00 179.24 175.57 2d8c h TRP 28 N 0.08 0.72 0.62 4.55 7.01 -1.37 -2.15 115.95 125.39 2d8c h TRP 28 Ca 0.75 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 61.52 2d8c h TRP 28 Cb 2.66 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 29.57 2d8c h TRP 28 CO -0.00 0.89 -0.30 -0.07 -2.79 0.00 0.00 178.44 176.17 2d8c h LEU 29 N 0.51 -0.70 -1.74 0.65 3.38 0.16 -3.06 115.31 114.51 2d8c h LEU 29 Ca 0.05 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.21 2d8c h LEU 29 Cb 0.86 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2d8c h LEU 29 CO 0.07 -0.41 0.48 -0.07 0.09 0.00 0.00 178.44 178.60 2d8c h LEU 30 N -1.01 0.24 -2.57 1.67 -0.00 -1.56 0.27 115.31 112.35 2d8c h LEU 30 Ca -0.08 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2d8c h LEU 30 Cb 0.63 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2d8c h LEU 30 CO 0.14 0.12 0.13 -0.08 -0.00 0.00 0.00 178.44 178.75 2d8c h GLU 31 N 0.26 0.00 0.00 1.13 4.81 -1.28 0.43 114.58 119.93 2d8c h GLU 31 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2d8c h GLU 31 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2d8c h GLU 31 CO -0.08 0.00 -0.01 0.09 -0.73 0.00 0.00 179.01 178.29 2d8c n ASN 32 N -3.13 2.04 -2.11 1.04 3.02 0.80 -4.99 115.26 111.94 2d8c n ASN 32 Ca -0.02 -2.34 -0.08 0.00 -0.03 0.00 0.00 54.58 52.11 2d8c n ASN 32 Cb 0.20 -0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.27 2d8c n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8c n ALA 33 N -0.79 -0.89 -2.45 5.41 0.00 0.14 -4.98 120.51 116.94 2d8c n ALA 33 Ca 0.05 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 2d8c n ALA 33 Cb 0.39 -1.63 0.01 0.00 0.00 0.00 0.00 19.45 18.23 2d8c n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2d8c n MET 34 N -2.48 2.90 0.00 0.00 2.81 -0.32 -4.83 117.12 115.19 2d8c n MET 34 Ca -0.11 -4.13 0.07 0.00 -1.81 0.00 0.00 57.70 51.72 2d8c n MET 34 Cb 0.57 -2.01 0.40 0.00 -0.71 0.00 0.00 33.22 31.46 2d8c n MET 34 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2d8c n PRO 35 N -0.45 0.29 0.10 0.03 -0.04 -1.26 -2.36 135.00 131.30 2d8c n PRO 35 Ca 0.32 0.10 -0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2d8c n PRO 35 Cb 0.76 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 2d8c n PRO 35 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8c h GLU 36 N 0.00 0.00 0.00 0.54 9.09 -1.93 -3.25 114.58 119.03 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2d8c h GLU 36 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2d8c h GLU 36 CO 0.00 0.56 -0.64 0.66 0.05 0.00 0.00 179.01 179.63 2d8c n TYR 37 N -3.18 0.05 -0.36 2.06 4.01 -1.00 -4.13 117.16 114.61 2d8c n TYR 37 Ca -0.01 0.01 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 2d8c n TYR 37 Cb 0.80 -0.24 0.17 0.00 -0.31 0.00 0.00 39.34 39.76 2d8c n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d8c h GLU 39 N 1.21 -1.20 0.00 0.00 4.39 -1.76 0.87 114.58 118.09 2d8c h GLU 39 Ca 0.41 0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.19 2d8c h GLU 39 Cb 0.07 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2d8c h GLU 39 CO -0.14 -0.80 0.00 -1.00 -1.16 0.00 0.00 179.01 175.91 2d8c h PRO 40 N -1.24 0.00 -0.37 2.33 0.13 -1.76 -2.48 132.00 128.61 2d8c h PRO 40 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2d8c h PRO 40 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2d8c h PRO 40 CO 0.13 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.18 2d8c n LEU 41 N -2.56 3.41 -0.21 1.56 4.77 0.12 -4.62 117.00 119.46 2d8c n LEU 41 Ca 0.01 -2.32 -0.02 0.00 -0.03 0.00 0.00 56.01 53.65 2d8c n LEU 41 Cb 0.25 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 2d8c n LEU 41 CO 0.22 0.73 1.07 1.05 -1.33 0.00 0.00 177.39 179.13 2d8c h GLU 42 N 2.26 0.60 -0.60 3.23 4.11 0.13 -2.16 114.58 122.14 2d8c h GLU 42 Ca 0.00 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 59.09 2d8c h GLU 42 Cb 1.00 -0.14 -0.18 0.00 0.50 0.00 0.00 28.75 29.94 2d8c h GLU 42 CO 0.08 0.40 0.20 -2.39 0.07 0.00 0.00 179.01 177.38 2d8c n HIS 43 N -4.82 1.87 -3.73 2.06 1.44 -1.26 -4.67 115.22 106.11 2d8c n HIS 43 Ca 0.07 -1.66 -0.37 0.00 -2.01 0.00 0.00 57.72 53.75 2d8c n HIS 43 Cb 0.16 -0.67 -0.06 0.00 0.12 0.00 0.00 29.99 29.55 2d8c n HIS 43 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d8c s PHE 44 N -3.25 3.63 0.06 -1.40 0.40 -0.81 -4.97 117.98 111.63 2d8c s PHE 44 Ca 0.50 0.69 0.03 0.00 -0.60 0.00 0.00 56.93 57.54 2d8c s PHE 44 Cb 0.43 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 2d8c s PHE 44 CO 0.05 0.67 0.03 0.95 0.70 0.00 0.00 175.22 177.62 2d8c s THR 45 N -1.12 4.26 0.21 0.64 -4.23 -1.26 -4.25 115.64 109.89 2d8c s THR 45 Ca 0.21 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 2d8c s THR 45 Cb -0.14 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.95 2d8c s THR 45 CO 0.10 0.20 0.99 0.61 -0.54 0.00 0.00 174.62 175.99 2d8c n GLY 46 N 0.79 -0.70 0.18 3.99 0.00 -1.26 0.13 105.19 108.31 2d8c n GLY 46 Ca -0.11 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 2d8c n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 47 N 0.00 -0.35 -0.97 1.61 5.75 -1.02 -1.73 115.11 118.40 2d8c h GLN 47 Ca 0.44 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.98 2d8c h GLN 47 Cb 1.04 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 2d8c h GLN 47 CO -0.55 -0.10 0.64 -0.44 -2.65 0.00 0.00 178.83 175.74 2d8c h ASP 48 N -0.58 1.11 -0.10 -0.69 3.32 0.71 -1.68 116.42 118.52 2d8c h ASP 48 Ca -0.04 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2d8c h ASP 48 Cb 0.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2d8c h ASP 48 CO 0.06 0.81 0.02 0.25 -1.72 0.00 0.00 179.24 178.66 2d8c h LEU 49 N 1.31 0.02 -1.67 1.55 6.46 -0.47 -1.39 115.31 121.12 2d8c h LEU 49 Ca 0.36 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.13 2d8c h LEU 49 Cb -0.15 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2d8c h LEU 49 CO -0.08 0.03 0.00 0.16 -0.62 0.00 0.00 178.44 177.93 2d8c h ILE 50 N 0.07 0.00 -0.13 4.05 3.07 -1.00 -1.67 117.51 121.90 2d8c h ILE 50 Ca 0.04 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2d8c h ILE 50 Cb 0.03 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 2d8c h ILE 50 CO -0.05 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.64 2d8c n ASN 51 N -2.84 0.81 -4.73 2.16 3.02 -0.53 -4.86 115.26 108.29 2d8c n ASN 51 Ca -0.00 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 2d8c n ASN 51 Cb 0.21 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 2d8c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d8c s LEU 52 N -1.18 4.50 0.09 3.41 1.43 -0.63 -5.02 118.68 121.28 2d8c s LEU 52 Ca 0.16 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 2d8c s LEU 52 Cb 0.08 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2d8c s LEU 52 CO 0.12 -0.08 -0.08 0.42 0.23 0.00 0.00 176.35 176.97 2d8c s THR 53 N 0.00 0.73 0.42 5.49 -4.23 -1.26 -5.00 115.64 111.79 2d8c s THR 53 Ca 0.47 -1.73 0.26 0.00 -1.18 0.00 0.00 61.69 59.52 2d8c s THR 53 Cb -0.24 -1.43 0.45 0.00 1.34 0.00 0.00 72.50 72.62 2d8c s THR 53 CO 0.30 -0.72 1.65 -0.61 -0.54 0.00 0.00 174.62 174.70 2d8c h GLN 54 N 3.36 0.15 -0.75 3.99 4.15 -1.97 1.04 115.11 125.08 2d8c h GLN 54 Ca -0.36 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.00 2d8c h GLN 54 Cb 1.18 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 2d8c h GLN 54 CO 0.58 0.10 0.26 1.05 -1.93 0.00 0.00 178.83 178.89 2d8c h GLU 55 N 0.15 1.13 -0.01 1.69 4.11 -2.00 -1.86 114.58 117.80 2d8c h GLU 55 Ca 0.78 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.99 2d8c h GLU 55 Cb 2.30 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 31.37 2d8c h GLU 55 CO -0.44 0.94 0.03 -0.44 0.07 0.00 0.00 179.01 179.17 2d8c h ASP 56 N 1.10 0.00 1.43 3.06 3.32 0.80 0.54 116.42 126.67 2d8c h ASP 56 Ca 0.25 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 2d8c h ASP 56 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2d8c h ASP 56 CO -0.01 0.00 -0.58 -0.26 -1.72 0.00 0.00 179.24 176.67 2d8c h PHE 57 N 0.00 0.00 0.00 4.55 -1.00 -1.22 -3.19 116.94 116.08 2d8c h PHE 57 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2d8c h PHE 57 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 2d8c h PHE 57 CO 0.00 0.54 0.00 0.87 -1.61 0.00 0.00 178.31 178.11 2d8c h LYS 58 N 0.00 0.00 -5.31 1.51 1.57 -0.86 -3.35 116.57 110.13 2d8c h LYS 58 Ca -0.01 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.36 2d8c h LYS 58 Cb 1.42 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.59 2d8c h LYS 58 CO 0.07 0.00 -0.69 -1.59 -0.57 0.00 0.00 179.45 176.66 2d8c s LYS 59 N -3.77 1.32 0.84 3.15 -2.85 -1.20 -5.00 119.74 112.23 2d8c s LYS 59 Ca -0.00 -1.63 -0.11 0.00 -1.00 0.00 0.00 55.97 53.23 2d8c s LYS 59 Cb 0.10 -0.88 0.10 0.00 -2.06 0.00 0.00 37.83 35.09 2d8c s LYS 59 CO 0.51 0.05 1.09 -1.25 0.10 0.00 0.00 175.35 175.86 2d8c s PRO 60 N -3.75 1.68 0.15 1.78 0.04 -1.26 -3.54 135.00 130.11 2d8c s PRO 60 Ca 0.24 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 2d8c s PRO 60 Cb 0.03 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2d8c s PRO 60 CO 0.07 -1.99 1.49 -1.00 0.04 0.00 0.00 177.00 175.61 2d8c h PRO 61 N -1.37 0.90 -5.62 0.56 0.13 -1.94 -3.48 132.00 121.17 2d8c h PRO 61 Ca -0.47 -0.47 -0.47 0.00 -0.87 0.00 0.00 66.00 63.72 2d8c h PRO 61 Cb 1.26 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.53 1.12 1.63 1.28 -0.23 0.00 0.00 178.00 182.34 2d8c n LEU 62 N -4.05 2.33 -3.64 1.56 4.77 -1.23 -4.88 117.00 111.86 2d8c n LEU 62 Ca -0.02 -0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 55.43 2d8c n LEU 62 Cb 0.54 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 39.98 2d8c n LEU 62 CO 0.48 -1.51 0.05 -0.47 -1.33 0.00 0.00 177.39 174.61 2d8c s TYR 63 N 11.96 -0.87 -1.19 -1.77 5.04 -1.26 -4.00 117.35 125.26 2d8c s TYR 63 Ca 0.99 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 57.20 2d8c s TYR 63 Cb -0.21 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.45 2d8c s TYR 63 CO 0.27 -0.52 0.00 0.54 -1.34 0.00 0.00 175.55 174.50 2d8c n ARG 64 N 5.40 -2.09 -0.01 4.97 5.12 -1.26 -4.83 116.66 123.96 2d8c n ARG 64 Ca -0.09 0.67 -0.01 0.00 -1.93 0.00 0.00 57.85 56.50 2d8c n ARG 64 Cb 0.49 -5.27 0.26 0.00 -1.16 0.00 0.00 32.46 26.79 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2d8c h VAL 65 N 0.00 1.22 -3.72 1.55 2.07 -1.92 -3.44 116.25 112.01 2d8c h VAL 65 Ca -0.32 -0.93 -0.43 0.00 0.82 0.00 0.00 66.70 65.83 2d8c h VAL 65 Cb 1.22 1.05 -0.20 0.00 -1.52 0.00 0.00 31.29 31.85 2d8c h VAL 65 CO 0.39 0.31 -0.77 -0.55 0.02 0.00 0.00 177.57 176.97 2d8c s SER 66 N -6.75 1.95 0.00 0.57 0.15 -1.26 -4.95 113.70 103.40 2d8c s SER 66 Ca -0.08 -0.74 0.22 0.00 0.70 0.00 0.00 55.95 56.06 2d8c s SER 66 Cb 0.15 -0.07 1.07 0.00 -1.71 0.00 0.00 66.02 65.46 2d8c s SER 66 CO 0.78 -0.11 1.72 -0.24 1.20 0.00 0.00 173.24 176.59 2d8c n SER 67 N 0.80 0.00 -1.90 5.45 2.88 -1.26 -3.17 113.62 116.42 2d8c n SER 67 Ca -0.17 0.15 -0.19 0.00 -1.33 0.00 0.00 58.87 57.33 2d8c n SER 67 Cb 0.56 -0.36 0.10 0.00 -0.75 0.00 0.00 64.21 63.75 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2d8c n ASP 68 N -1.36 4.72 -3.66 -3.46 8.00 -1.26 -4.85 116.55 114.68 2d8c n ASP 68 Ca 0.09 -3.16 -0.27 0.00 0.71 0.00 0.00 54.79 52.16 2d8c n ASP 68 Cb 0.21 -0.83 -0.02 0.00 -0.02 0.00 0.00 41.12 40.45 2d8c n ASP 68 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2d8c n ASN 69 N -0.43 -2.98 -2.39 -2.24 0.23 -1.19 0.89 115.26 107.15 2d8c n ASN 69 Ca 0.41 -0.57 -0.19 0.00 -0.53 0.00 0.00 54.58 53.69 2d8c n ASN 69 Cb 1.05 -2.50 0.01 0.00 -2.08 0.00 0.00 39.78 36.26 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2d8c n GLY 70 N -1.12 -0.41 0.11 4.83 0.00 -1.25 -4.91 105.19 102.44 2d8c n GLY 70 Ca 0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2d8c n GLY 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 71 N -0.51 0.11 -0.59 1.61 5.75 0.14 -3.20 115.11 118.42 2d8c h GLN 71 Ca -0.46 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 57.95 2d8c h GLN 71 Cb 1.33 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 29.84 2d8c h GLN 71 CO 0.52 1.09 -0.28 -0.09 -2.65 0.00 0.00 178.83 177.42 2d8c h ARG 72 N -0.67 -0.12 0.58 1.69 2.43 -1.91 0.10 114.38 116.48 2d8c h ARG 72 Ca -0.26 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 2d8c h ARG 72 Cb 1.46 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.04 2d8c h ARG 72 CO -0.04 -0.08 -0.28 1.25 -1.51 0.00 0.00 179.97 179.31 2d8c h LEU 73 N -0.13 -0.66 -1.00 3.80 5.85 -1.95 -1.30 115.31 119.92 2d8c h LEU 73 Ca 0.25 -0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.25 2d8c h LEU 73 Cb 0.53 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 2d8c h LEU 73 CO -0.66 -0.42 0.58 -0.07 -0.34 0.00 0.00 178.44 177.52 2d8c h LEU 74 N -0.86 0.58 -0.35 2.25 3.38 -1.38 0.43 115.31 119.36 2d8c h LEU 74 Ca -0.08 0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2d8c h LEU 74 Cb 0.63 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2d8c h LEU 74 CO 0.13 -0.03 -0.36 -0.78 0.09 0.00 0.00 178.44 177.49 2d8c h ASP 75 N 0.44 0.93 0.35 -0.43 3.58 -0.56 0.32 116.42 121.06 2d8c h ASP 75 Ca 0.69 -0.47 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 2d8c h ASP 75 Cb 1.46 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2d8c h ASP 75 CO -0.55 1.21 -0.32 0.24 -2.88 0.00 0.00 179.24 176.95 2d8c h MET 76 N 0.67 0.00 0.13 0.28 2.86 0.89 -3.12 114.93 116.65 2d8c h MET 76 Ca 0.05 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.38 2d8c h MET 76 Cb 0.95 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2d8c h MET 76 CO 0.09 0.32 -1.63 0.82 1.06 0.00 0.00 176.91 177.57 2d8c h ILE 77 N 0.00 0.91 -0.98 -1.22 2.04 -0.57 -3.35 117.51 114.35 2d8c h ILE 77 Ca -0.00 -2.41 0.33 0.00 1.00 0.00 0.00 64.86 63.78 2d8c h ILE 77 Cb 0.58 2.67 -0.16 0.00 -0.74 0.00 0.00 36.82 39.16 2d8c h ILE 77 CO 0.04 0.77 0.43 -0.08 0.00 0.00 0.00 178.15 179.32 2d8c h GLU 78 N -0.13 0.15 -0.02 2.37 4.81 -0.30 1.55 114.58 123.01 2d8c h GLU 78 Ca -0.34 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 2d8c h GLU 78 Cb 1.90 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 2d8c h GLU 78 CO 0.09 0.10 -0.50 0.00 -0.73 0.00 0.00 179.01 177.97 2d8c h THR 79 N 0.15 1.36 0.00 0.32 1.03 -1.70 -1.98 112.91 112.10 2d8c h THR 79 Ca 0.73 -1.72 -0.04 0.00 -0.01 0.00 0.00 66.41 65.37 2d8c h THR 79 Cb 1.72 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 70.71 2d8c h THR 79 CO -0.71 0.50 -0.18 -0.07 -0.01 0.00 0.00 175.52 175.05 2d8c h LEU 80 N 0.03 0.00 0.00 0.00 3.38 0.21 -3.05 115.31 115.89 2d8c h LEU 80 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2d8c h LEU 80 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2d8c h LEU 80 CO 0.07 0.18 -0.55 0.11 0.09 0.00 0.00 178.44 178.34 2d8c h LYS 81 N 0.00 0.00 -1.45 1.13 6.56 -1.18 -3.29 116.57 118.33 2d8c h LYS 81 Ca -0.00 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.01 2d8c h LYS 81 Cb 0.35 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.95 2d8c h LYS 81 CO 0.02 0.24 1.22 0.00 -2.06 0.00 0.00 179.45 178.87 2d8c n MET 82 N -4.61 0.01 0.08 3.15 0.00 -0.77 0.24 117.12 115.22 2d8c n MET 82 Ca -0.11 0.96 -0.22 0.00 0.00 0.00 0.00 57.70 58.33 2d8c n MET 82 Cb 0.31 -2.28 -0.15 0.00 0.00 0.00 0.00 33.22 31.10 2d8c n MET 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2d8c h GLU 83 N 0.00 0.38 -7.36 3.17 4.39 -1.68 -3.46 114.58 110.03 2d8c h GLU 83 Ca 0.69 -0.66 -0.45 0.00 0.34 0.00 0.00 59.36 59.28 2d8c h GLU 83 Cb 3.13 0.24 0.16 0.00 -0.10 0.00 0.00 28.75 32.18 2d8c h GLU 83 CO -0.01 1.31 0.19 -1.58 -1.16 0.00 0.00 179.01 177.76 2d8c s HIS 84 N -2.49 2.07 -1.13 4.33 2.46 0.65 -4.86 115.29 116.32 2d8c s HIS 84 Ca -0.12 0.96 -0.22 0.00 0.47 0.00 0.00 55.06 56.15 2d8c s HIS 84 Cb 0.02 -3.27 -0.08 0.00 -0.13 0.00 0.00 32.58 29.12 2d8c s HIS 84 CO 0.87 -2.96 1.91 0.72 -2.47 0.00 0.00 174.74 172.82 2d8c n HIS 85 N -4.22 2.81 -4.95 3.88 8.25 -1.26 -4.88 115.22 114.85 2d8c n HIS 85 Ca 0.05 -1.72 -0.28 0.00 -0.26 0.00 0.00 57.72 55.51 2d8c n HIS 85 Cb 0.57 -2.45 -0.16 0.00 1.12 0.00 0.00 29.99 29.06 2d8c n HIS 85 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2d8c s MET 86 N 5.87 2.20 0.00 -0.41 -1.94 -1.26 -4.99 119.30 118.76 2d8c s MET 86 Ca 0.64 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 2d8c s MET 86 Cb 0.03 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.07 2d8c s MET 86 CO 0.12 0.21 0.00 -0.85 -0.01 0.00 0.00 175.02 174.49 2d8c n GLU 87 N 3.33 2.23 -1.64 2.03 0.00 -1.26 -4.96 120.64 120.37 2d8c n GLU 87 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.54 2d8c n GLU 87 Cb 0.53 -0.95 -0.03 0.00 0.00 0.00 0.00 31.44 30.99 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d8c s ALA 88 N -1.85 3.17 -0.31 -1.84 0.00 -1.26 -4.91 121.76 114.76 2d8c s ALA 88 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2d8c s ALA 88 Cb 0.00 -3.96 -0.00 0.00 0.00 0.00 0.00 23.12 19.16 2d8c s ALA 88 CO 0.00 -2.17 1.39 -3.38 0.00 0.00 0.00 175.76 171.60 2d8c s HIS 89 N 6.33 2.51 0.13 0.00 -3.43 -1.26 -4.91 115.29 114.66 2d8c s HIS 89 Ca 0.94 0.77 -0.19 0.00 -0.80 0.00 0.00 55.06 55.78 2d8c s HIS 89 Cb -0.38 -4.01 -0.06 0.00 -1.43 0.00 0.00 32.58 26.70 2d8c s HIS 89 CO 0.38 -2.00 1.77 -0.22 -2.00 0.00 0.00 174.74 172.68 2d8c h LYS 90 N 9.89 0.26 -4.78 -0.38 3.64 -1.95 -3.45 116.57 119.82 2d8c h LYS 90 Ca -0.28 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.82 2d8c h LYS 90 Cb 1.11 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.71 2d8c h LYS 90 CO 1.04 0.17 -0.71 0.54 -2.27 0.00 0.00 179.45 178.22 2d8c s ASN 91 N -5.37 1.29 0.32 4.20 4.22 -1.26 -5.12 114.94 113.22 2d8c s ASN 91 Ca -0.13 -0.94 -0.26 0.00 -2.14 0.00 0.00 52.86 49.39 2d8c s ASN 91 Cb 0.09 0.06 -0.14 0.00 1.28 0.00 0.00 41.25 42.53 2d8c s ASN 91 CO 0.69 -0.39 0.75 -0.24 -2.04 0.00 0.00 177.10 175.87 2d8c n SER 92 N 0.13 0.02 0.00 3.54 2.88 -1.26 -4.84 113.62 114.09 2d8c n SER 92 Ca -0.13 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2d8c n SER 92 Cb 0.60 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2d8c n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8c n GLY 93 N 1.58 3.44 3.64 0.46 0.00 -1.26 -5.05 105.19 107.99 2d8c n GLY 93 Ca 0.12 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2d8c n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8c s PRO 94 N -4.90 3.95 0.11 1.61 0.04 -1.26 -5.01 135.00 129.54 2d8c s PRO 94 Ca 0.00 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 2d8c s PRO 94 Cb 0.00 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.51 2d8c s PRO 94 CO 0.00 -1.11 0.30 -1.12 0.04 0.00 0.00 177.00 175.11 2d8c s SER 95 N 3.71 6.42 -0.13 6.66 0.01 -1.26 -5.05 113.70 124.06 2d8c s SER 95 Ca 0.70 0.42 -0.10 0.00 1.31 0.00 0.00 55.95 58.27 2d8c s SER 95 Cb -0.26 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2d8c s SER 95 CO 0.27 0.10 -0.20 -0.24 0.41 0.00 0.00 173.24 173.59 2d8c n SER 96 N 0.11 1.50 0.00 2.44 2.88 -1.26 -5.19 113.62 114.10 2d8c n SER 96 Ca -0.04 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2d8c n SER 96 Cb 0.52 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2d8c n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42