#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 0.87 -4.38 1.61 2.88 -1.26 -4.91 113.62 108.42 2d8c n SER 2 Ca 0.00 0.15 -0.45 0.00 -1.33 0.00 0.00 58.87 57.25 2d8c n SER 2 Cb 0.00 -0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2d8c n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8c s SER 3 N -5.79 7.21 0.00 -3.46 0.15 -1.26 -4.87 113.70 105.68 2d8c s SER 3 Ca 0.00 -3.34 0.00 0.00 0.70 0.00 0.00 55.95 53.31 2d8c s SER 3 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2d8c s SER 3 CO 0.00 -0.47 0.37 0.61 1.20 0.00 0.00 173.24 174.95 2d8c n GLY 4 N 3.28 -1.22 2.96 9.45 0.00 -1.26 -4.78 105.19 113.61 2d8c n GLY 4 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 2d8c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8c s SER 5 N -2.55 4.23 0.56 1.61 0.15 -1.26 -5.11 113.70 111.33 2d8c s SER 5 Ca 0.00 -1.54 -0.18 0.00 0.70 0.00 0.00 55.95 54.92 2d8c s SER 5 Cb 0.00 -1.32 -0.08 0.00 -1.71 0.00 0.00 66.02 62.90 2d8c s SER 5 CO 0.00 -0.29 0.59 -1.20 1.20 0.00 0.00 173.24 173.54 2d8c n SER 6 N 4.54 -0.76 0.08 5.45 7.64 -1.26 -4.95 113.62 124.35 2d8c n SER 6 Ca -0.07 0.76 -0.05 0.00 1.01 0.00 0.00 58.87 60.53 2d8c n SER 6 Cb 0.43 -1.20 -0.02 0.00 -1.01 0.00 0.00 64.21 62.40 2d8c n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2d8c h GLY 7 N 0.32 -0.30 -5.58 0.23 0.00 -2.02 -3.45 103.07 92.26 2d8c h GLY 7 Ca -0.46 0.11 -0.66 0.00 0.00 0.00 0.00 47.33 46.33 2d8c h GLY 7 CO 0.48 -0.11 -0.68 -3.16 0.00 0.00 0.00 176.54 173.07 2d8c s MET 8 N -2.51 3.34 -0.38 4.80 0.23 -1.26 -5.08 119.30 118.44 2d8c s MET 8 Ca -0.04 -0.53 0.01 0.00 -1.03 0.00 0.00 55.69 54.09 2d8c s MET 8 Cb 0.00 -2.79 0.13 0.00 -1.53 0.00 0.00 34.83 30.64 2d8c s MET 8 CO 0.13 0.40 0.20 -0.51 -2.03 0.00 0.00 175.02 173.22 2d8c s LEU 9 N -0.07 1.86 0.01 0.18 1.43 -1.26 -5.10 118.68 115.73 2d8c s LEU 9 Ca 0.01 -2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 50.56 2d8c s LEU 9 Cb -0.13 -0.73 0.11 0.00 0.03 0.00 0.00 46.19 45.46 2d8c s LEU 9 CO 0.03 -0.31 1.17 -0.94 0.23 0.00 0.00 176.35 176.52 2d8c s SER 10 N 0.88 -0.12 -0.03 2.29 1.04 -1.26 -5.17 113.70 111.33 2d8c s SER 10 Ca 0.16 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.43 2d8c s SER 10 Cb -0.23 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2d8c s SER 10 CO -0.04 -0.47 -0.09 0.00 0.98 0.00 0.00 173.24 173.62 2d8c s ALA 11 N -2.70 0.83 0.03 5.32 0.00 -1.26 -5.07 121.76 118.91 2d8c s ALA 11 Ca 0.13 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 2d8c s ALA 11 Cb 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 2d8c s ALA 11 CO -0.03 0.13 1.24 -0.09 0.00 0.00 0.00 175.76 177.01 2d8c h ARG 12 N 6.40 -0.49 -2.91 0.00 9.65 -2.07 -3.46 114.38 121.50 2d8c h ARG 12 Ca -0.33 0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.47 2d8c h ARG 12 Cb 1.17 0.11 -0.20 0.00 -1.39 0.00 0.00 29.97 29.66 2d8c h ARG 12 CO 0.49 -0.33 -0.22 -0.08 2.80 0.00 0.00 179.97 182.63 2d8c s THR 13 N -4.24 0.05 -0.06 0.20 -1.32 -1.26 -5.05 115.64 103.96 2d8c s THR 13 Ca -0.08 -0.40 0.10 0.00 -1.21 0.00 0.00 61.69 60.10 2d8c s THR 13 Cb 0.01 -0.66 0.17 0.00 -1.51 0.00 0.00 72.50 70.51 2d8c s THR 13 CO 0.26 -0.22 1.08 0.23 -2.21 0.00 0.00 174.62 173.76 2d8c n MET 14 N 1.29 0.60 0.21 7.08 2.81 -1.26 -4.71 117.12 123.14 2d8c n MET 14 Ca -0.21 -1.82 0.07 0.00 -1.81 0.00 0.00 57.70 53.93 2d8c n MET 14 Cb 0.56 -0.93 0.48 0.00 -0.71 0.00 0.00 33.22 32.62 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2d8c h LYS 15 N 0.12 0.00 0.00 0.03 6.56 -1.93 -3.35 116.57 118.00 2d8c h LYS 15 Ca -0.01 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.35 2d8c h LYS 15 Cb 1.25 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.88 2d8c h LYS 15 CO 0.01 0.28 -1.66 -0.85 -2.06 0.00 0.00 179.45 175.17 2d8c n GLU 16 N -3.80 0.34 -1.83 3.15 0.28 -1.26 -2.99 120.64 114.54 2d8c n GLU 16 Ca -0.01 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2d8c n GLU 16 Cb 0.37 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.16 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 -3.81 0.00 -0.03 3.84 3.14 -1.26 -4.57 118.33 115.64 2d8c n VAL 17 Ca -0.28 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.07 2d8c n VAL 17 Cb 0.65 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.40 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 -1.82 0.29 1.51 1.55 0.24 -1.26 -2.76 118.33 116.08 2d8c n VAL 18 Ca 0.00 -0.11 0.11 0.00 -2.04 0.00 0.00 64.34 62.30 2d8c n VAL 18 Cb 0.28 -0.68 0.48 0.00 -1.47 0.00 0.00 33.84 32.45 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 -2.64 0.11 -0.58 6.34 4.01 -1.26 -1.34 117.16 121.80 2d8c n TYR 19 Ca -0.09 -0.06 -0.26 0.00 -0.16 0.00 0.00 57.90 57.33 2d8c n TYR 19 Cb 0.60 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.80 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 -0.07 -1.97 -3.56 -0.72 7.02 -1.26 -4.93 117.44 111.95 2d8c n TRP 20 Ca 0.16 0.01 -0.20 0.00 -1.02 0.00 0.00 57.50 56.46 2d8c n TRP 20 Cb 0.25 -1.47 -0.02 0.00 -2.42 0.00 0.00 31.31 27.66 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2d8c s SER 21 N -1.97 5.58 0.24 -0.99 1.04 -1.26 -4.34 113.70 112.00 2d8c s SER 21 Ca 0.48 -0.39 0.23 0.00 0.48 0.00 0.00 55.95 56.75 2d8c s SER 21 Cb -0.09 -1.01 0.95 0.00 0.10 0.00 0.00 66.02 65.98 2d8c s SER 21 CO 0.52 -0.46 1.69 -0.81 0.98 0.00 0.00 173.24 175.16 2d8c n PRO 22 N -1.55 0.18 -0.01 4.02 -0.04 -1.26 -2.37 135.00 133.97 2d8c n PRO 22 Ca 0.00 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 2d8c n PRO 22 Cb 0.59 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.17 0.65 -0.05 0.54 4.76 -1.26 -4.42 118.16 116.22 2d8c n LYS 23 Ca 0.02 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2d8c n LYS 23 Cb 0.22 -1.62 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 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 -0.03 -1.18 1.97 1.63 -1.84 -3.26 116.57 113.86 2d8c h LYS 24 Ca -0.17 0.00 0.44 0.00 -0.85 0.00 0.00 60.65 60.07 2d8c h LYS 24 Cb 1.43 0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 32.92 2d8c h LYS 24 CO 0.02 0.61 0.72 0.28 -3.45 0.00 0.00 179.45 177.62 2d8c n VAL 25 N -4.71 -0.30 0.25 2.00 0.31 -1.00 -0.20 118.33 114.68 2d8c n VAL 25 Ca -0.07 1.81 -0.12 0.00 -0.01 0.00 0.00 64.34 65.95 2d8c n VAL 25 Cb 0.31 -2.96 -0.06 0.00 -0.91 0.00 0.00 33.84 30.22 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 1.68 -0.69 -1.24 3.52 0.00 -1.77 -3.06 119.26 117.70 2d8c h ALA 26 Ca 0.83 -0.18 0.38 0.00 0.00 0.00 0.00 54.91 55.94 2d8c h ALA 26 Cb 2.50 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 20.44 2d8c h ALA 26 CO -0.56 -0.68 0.80 -0.44 0.00 0.00 0.00 179.25 178.37 2d8c h ASP 27 N -1.10 0.29 -0.15 0.00 3.32 -0.62 1.21 116.42 119.37 2d8c h ASP 27 Ca -0.07 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2d8c h ASP 27 Cb 0.59 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2d8c h ASP 27 CO 0.12 -0.10 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.13 2d8c h TRP 28 N 0.17 0.59 0.56 4.55 7.01 -1.31 -1.88 115.95 125.63 2d8c h TRP 28 Ca 0.75 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.62 2d8c h TRP 28 Cb 2.26 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 29.17 2d8c h TRP 28 CO -0.00 0.67 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.98 2d8c h LEU 29 N 0.49 -0.63 -1.77 0.65 3.38 0.16 -3.08 115.31 114.50 2d8c h LEU 29 Ca 0.08 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.24 2d8c h LEU 29 Cb 0.56 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2d8c h LEU 29 CO 0.04 -0.36 0.48 -0.07 0.09 0.00 0.00 178.44 178.61 2d8c h LEU 30 N -0.93 0.21 -2.03 1.67 -0.00 -1.53 0.16 115.31 112.87 2d8c h LEU 30 Ca -0.08 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.94 2d8c h LEU 30 Cb 0.57 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2d8c h LEU 30 CO 0.13 0.11 0.34 -0.08 -0.00 0.00 0.00 178.44 178.93 2d8c h GLU 31 N 0.22 0.00 -0.21 1.13 4.57 -1.25 0.11 114.58 119.14 2d8c h GLU 31 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2d8c h GLU 31 Cb 1.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2d8c h GLU 31 CO -0.07 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.85 2d8c n ASN 32 N -4.22 2.93 -2.13 1.04 3.02 0.40 -4.98 115.26 111.33 2d8c n ASN 32 Ca 0.08 -2.40 -0.08 0.00 -0.03 0.00 0.00 54.58 52.15 2d8c n ASN 32 Cb 0.54 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.19 -0.93 -2.49 5.41 0.00 0.36 -4.99 120.51 117.69 2d8c n ALA 33 Ca 0.12 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 2d8c n ALA 33 Cb 0.54 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 2.82 0.00 0.00 2.81 -0.19 -4.83 117.12 115.25 2d8c n MET 34 Ca -0.13 -4.13 0.07 0.00 -1.81 0.00 0.00 57.70 51.71 2d8c n MET 34 Cb 0.58 -1.98 0.32 0.00 -0.71 0.00 0.00 33.22 31.43 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 -0.41 0.05 0.15 0.03 -0.04 -1.26 -2.36 135.00 131.17 2d8c n PRO 35 Ca 0.31 0.23 0.04 0.00 -0.04 0.00 0.00 63.50 64.03 2d8c n PRO 35 Cb 0.74 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.79 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 4.11 -1.95 -3.17 114.58 114.12 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d8c h GLU 36 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2d8c h GLU 36 CO 0.00 0.45 -0.74 0.66 0.07 0.00 0.00 179.01 179.45 2d8c n TYR 37 N -3.26 0.05 -0.29 2.06 4.01 -0.99 -4.19 117.16 114.54 2d8c n TYR 37 Ca 0.02 0.01 -0.04 0.00 -0.16 0.00 0.00 57.90 57.73 2d8c n TYR 37 Cb 0.68 -0.21 0.07 0.00 -0.31 0.00 0.00 39.34 39.58 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 1.08 -0.87 0.00 0.00 5.08 -1.74 1.48 114.58 119.61 2d8c h GLU 39 Ca 0.30 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2d8c h GLU 39 Cb -0.12 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2d8c h GLU 39 CO -0.07 -0.58 -0.13 -1.00 -1.00 0.00 0.00 179.01 176.24 2d8c h PRO 40 N -0.90 0.00 -0.54 2.33 0.13 -1.78 -2.61 132.00 128.62 2d8c h PRO 40 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2d8c h PRO 40 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2d8c h PRO 40 CO -0.14 0.13 0.00 1.28 -0.23 0.00 0.00 178.00 179.03 2d8c n LEU 41 N -3.32 4.14 -0.04 1.56 4.77 0.88 -4.57 117.00 120.42 2d8c n LEU 41 Ca -0.00 -2.37 -0.09 0.00 -0.03 0.00 0.00 56.01 53.53 2d8c n LEU 41 Cb 0.35 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2d8c n LEU 41 CO 0.30 0.80 0.86 1.05 -1.33 0.00 0.00 177.39 179.07 2d8c h GLU 42 N 3.35 0.05 -0.76 3.23 4.11 0.25 -2.36 114.58 122.45 2d8c h GLU 42 Ca 0.00 -0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 2d8c h GLU 42 Cb 1.23 -0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 2d8c h GLU 42 CO 0.15 0.03 0.37 0.72 0.07 0.00 0.00 179.01 180.35 2d8c n HIS 43 N -5.15 2.37 -3.63 2.06 8.25 -1.26 -4.68 115.22 113.18 2d8c n HIS 43 Ca -0.02 -1.61 -0.32 0.00 -0.26 0.00 0.00 57.72 55.50 2d8c n HIS 43 Cb 0.11 -0.76 -0.05 0.00 1.12 0.00 0.00 29.99 30.41 2d8c n HIS 43 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2d8c s PHE 44 N -3.20 3.50 0.02 4.41 0.40 -0.89 -4.97 117.98 117.25 2d8c s PHE 44 Ca 0.53 0.64 0.05 0.00 -0.60 0.00 0.00 56.93 57.55 2d8c s PHE 44 Cb 0.45 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2d8c s PHE 44 CO 0.09 0.45 -0.11 0.95 0.70 0.00 0.00 175.22 177.30 2d8c s THR 45 N -1.58 3.28 0.25 0.64 -4.23 -1.26 -4.22 115.64 108.52 2d8c s THR 45 Ca 0.39 -0.97 0.15 0.00 -1.18 0.00 0.00 61.69 60.08 2d8c s THR 45 Cb -0.13 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 71.54 2d8c s THR 45 CO 0.22 0.36 1.02 0.61 -0.54 0.00 0.00 174.62 176.28 2d8c n GLY 46 N 1.51 -0.49 0.08 3.99 0.00 -1.26 0.20 105.19 109.22 2d8c n GLY 46 Ca -0.15 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.14 -0.32 1.61 5.75 -1.02 -2.01 115.11 119.26 2d8c h GLN 47 Ca 0.55 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.90 2d8c h GLN 47 Cb 1.51 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 2d8c h GLN 47 CO -0.47 0.47 -0.22 -0.44 -2.65 0.00 0.00 178.83 175.52 2d8c h ASP 48 N -0.21 0.61 -0.37 -0.69 5.19 0.21 -2.05 116.42 119.11 2d8c h ASP 48 Ca 0.02 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 2d8c h ASP 48 Cb 0.42 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 2d8c h ASP 48 CO 0.01 0.82 0.17 0.25 -3.12 0.00 0.00 179.24 177.37 2d8c h LEU 49 N 0.54 0.48 -1.23 1.55 6.46 -0.49 -2.39 115.31 120.23 2d8c h LEU 49 Ca 0.08 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2d8c h LEU 49 Cb 0.67 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2d8c h LEU 49 CO 0.05 0.49 -0.18 0.16 -0.62 0.00 0.00 178.44 178.33 2d8c h ILE 50 N 0.45 0.48 -0.09 4.05 3.07 -1.26 -2.70 117.51 121.50 2d8c h ILE 50 Ca 0.12 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.55 2d8c h ILE 50 Cb 0.14 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 2d8c h ILE 50 CO -0.01 0.18 0.00 0.59 -1.05 0.00 0.00 178.15 177.86 2d8c n ASN 51 N -3.37 1.73 -4.79 2.16 3.02 -0.78 -4.85 115.26 108.38 2d8c n ASN 51 Ca 0.00 -2.15 -0.38 0.00 -0.03 0.00 0.00 54.58 52.02 2d8c n ASN 51 Cb 0.40 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 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 -0.47 4.45 0.07 3.41 1.43 -1.02 -5.03 118.68 121.53 2d8c s LEU 52 Ca 0.09 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 2d8c s LEU 52 Cb 0.07 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2d8c s LEU 52 CO 0.03 0.21 -0.07 0.42 0.23 0.00 0.00 176.35 177.16 2d8c s THR 53 N -0.64 0.64 0.53 5.49 -4.23 -1.26 -5.01 115.64 111.16 2d8c s THR 53 Ca 0.28 -1.54 0.40 0.00 -1.18 0.00 0.00 61.69 59.65 2d8c s THR 53 Cb -0.18 -1.19 0.61 0.00 1.34 0.00 0.00 72.50 73.08 2d8c s THR 53 CO 0.16 -0.64 1.71 -0.61 -0.54 0.00 0.00 174.62 174.70 2d8c h GLN 54 N 3.67 0.02 -0.30 3.99 4.15 -1.95 1.13 115.11 125.83 2d8c h GLN 54 Ca -0.36 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.94 2d8c h GLN 54 Cb 1.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2d8c h GLN 54 CO 0.53 0.02 -0.32 0.93 -1.93 0.00 0.00 178.83 178.06 2d8c h GLU 55 N 0.02 0.64 0.00 1.69 5.08 -1.99 -2.55 114.58 117.48 2d8c h GLU 55 Ca 0.72 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2d8c h GLU 55 Cb 2.78 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.02 2d8c h GLU 55 CO -0.05 0.88 0.00 -0.44 -1.00 0.00 0.00 179.01 178.40 2d8c h ASP 56 N 0.54 0.00 0.03 1.42 5.19 0.99 -2.29 116.42 122.30 2d8c h ASP 56 Ca 0.06 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.24 2d8c h ASP 56 Cb 0.82 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.34 2d8c h ASP 56 CO 0.07 0.00 -0.89 -0.26 -3.12 0.00 0.00 179.24 175.04 2d8c h PHE 57 N 0.00 0.93 -0.23 4.55 -1.00 -1.35 -3.11 116.94 116.73 2d8c h PHE 57 Ca 0.00 -0.46 0.07 0.00 2.81 0.00 0.00 57.97 60.39 2d8c h PHE 57 Cb 0.21 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2d8c h PHE 57 CO 0.00 1.28 0.36 0.87 -1.61 0.00 0.00 178.31 179.21 2d8c h LYS 58 N 0.41 0.00 -5.42 1.51 1.57 -1.46 -3.29 116.57 109.89 2d8c h LYS 58 Ca -0.08 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.24 2d8c h LYS 58 Cb 1.52 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.69 2d8c h LYS 58 CO 0.17 0.00 -0.68 -1.59 -0.57 0.00 0.00 179.45 176.78 2d8c s LYS 59 N -4.45 1.45 0.93 3.15 -2.85 -1.17 -4.96 119.74 111.84 2d8c s LYS 59 Ca -0.04 -1.71 -0.12 0.00 -1.00 0.00 0.00 55.97 53.10 2d8c s LYS 59 Cb 0.13 -1.03 0.15 0.00 -2.06 0.00 0.00 37.83 35.02 2d8c s LYS 59 CO 0.46 0.04 1.09 -1.25 0.10 0.00 0.00 175.35 175.79 2d8c s PRO 60 N -3.74 0.95 0.34 1.78 0.04 -1.26 -3.44 135.00 129.67 2d8c s PRO 60 Ca 0.27 0.71 0.13 0.00 0.04 0.00 0.00 61.00 62.16 2d8c s PRO 60 Cb 0.03 -1.78 0.62 0.00 0.04 0.00 0.00 34.50 33.41 2d8c s PRO 60 CO 0.10 -2.42 1.75 -1.00 0.04 0.00 0.00 177.00 175.46 2d8c h PRO 61 N -1.68 0.00 -6.15 0.56 0.13 -1.91 -3.48 132.00 119.48 2d8c h PRO 61 Ca -0.51 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.10 2d8c h PRO 61 Cb 1.30 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 2d8c h PRO 61 CO 0.56 0.45 1.22 -0.51 -0.23 0.00 0.00 178.00 179.48 2d8c s LEU 62 N -7.77 3.23 -0.08 1.56 1.43 -1.22 -4.90 118.68 110.93 2d8c s LEU 62 Ca -0.02 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2d8c s LEU 62 Cb 0.13 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.85 2d8c s LEU 62 CO 0.73 -2.14 0.17 -0.47 0.23 0.00 0.00 176.35 174.87 2d8c s TYR 63 N 7.57 -0.20 -1.20 0.29 5.04 -1.24 -3.81 117.35 123.81 2d8c s TYR 63 Ca 0.53 0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 55.61 2d8c s TYR 63 Cb -0.10 -0.09 0.11 0.00 0.35 0.00 0.00 41.96 42.22 2d8c s TYR 63 CO 0.18 -0.20 0.27 2.89 -1.34 0.00 0.00 175.55 177.35 2d8c n ARG 64 N 4.41 -0.86 0.17 4.97 1.85 -1.26 -4.73 116.66 121.21 2d8c n ARG 64 Ca -0.23 0.08 0.04 0.00 -1.00 0.00 0.00 57.85 56.74 2d8c n ARG 64 Cb 0.51 -2.93 0.28 0.00 -1.05 0.00 0.00 32.46 29.28 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2d8c h VAL 65 N -0.68 1.02 -4.21 8.89 2.07 -1.92 -3.46 116.25 117.96 2d8c h VAL 65 Ca -0.42 -1.70 -0.24 0.00 0.82 0.00 0.00 66.70 65.16 2d8c h VAL 65 Cb 0.94 2.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.56 2d8c h VAL 65 CO 0.56 0.43 -0.64 -0.55 0.02 0.00 0.00 177.57 177.39 2d8c s SER 66 N -6.54 0.62 -0.13 0.57 0.15 -1.26 -4.97 113.70 102.13 2d8c s SER 66 Ca -0.00 -1.25 0.07 0.00 0.70 0.00 0.00 55.95 55.47 2d8c s SER 66 Cb 0.11 0.25 0.45 0.00 -1.71 0.00 0.00 66.02 65.12 2d8c s SER 66 CO 0.71 -0.71 1.19 -1.20 1.20 0.00 0.00 173.24 174.42 2d8c n SER 67 N -0.21 3.58 -0.88 5.45 7.64 -1.26 -3.93 113.62 124.00 2d8c n SER 67 Ca -0.04 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2d8c n SER 67 Cb 0.64 -0.60 0.19 0.00 -1.01 0.00 0.00 64.21 63.43 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2d8c n ASP 68 N 0.33 2.19 -4.09 6.43 8.00 -1.26 -4.95 116.55 123.19 2d8c n ASP 68 Ca 0.15 -3.87 -0.34 0.00 0.71 0.00 0.00 54.79 51.45 2d8c n ASP 68 Cb 0.78 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.10 -2.14 -3.07 -2.24 6.94 -1.25 0.13 115.26 112.53 2d8c n ASN 69 Ca 0.25 -0.88 -0.21 0.00 -0.02 0.00 0.00 54.58 53.73 2d8c n ASN 69 Cb 0.82 -1.84 0.06 0.00 -2.36 0.00 0.00 39.78 36.45 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2d8c n GLY 70 N -1.04 -0.41 0.08 4.83 0.00 -1.26 -4.94 105.19 102.45 2d8c n GLY 70 Ca 0.08 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.95 0.00 -0.68 1.61 5.75 0.62 -3.10 115.11 117.36 2d8c h GLN 71 Ca -0.50 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.12 2d8c h GLN 71 Cb 1.33 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.76 2d8c h GLN 71 CO 0.51 0.53 -0.29 -0.09 -2.65 0.00 0.00 178.83 176.85 2d8c h ARG 72 N -1.00 -0.09 0.75 1.69 2.43 -1.92 0.72 114.38 116.96 2d8c h ARG 72 Ca -0.14 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2d8c h ARG 72 Cb 0.82 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.40 2d8c h ARG 72 CO -0.08 -0.06 -0.36 1.25 -1.51 0.00 0.00 179.97 179.21 2d8c h LEU 73 N -0.09 -0.86 -1.00 3.80 5.85 -1.95 -1.17 115.31 119.90 2d8c h LEU 73 Ca 0.29 0.03 0.39 0.00 0.84 0.00 0.00 57.88 59.42 2d8c h LEU 73 Cb 0.55 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.63 2d8c h LEU 73 CO -0.73 -0.53 0.52 -0.07 -0.34 0.00 0.00 178.44 177.28 2d8c h LEU 74 N -1.17 0.32 -0.19 2.25 3.38 -1.35 0.93 115.31 119.48 2d8c h LEU 74 Ca -0.10 0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2d8c h LEU 74 Cb 0.77 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2d8c h LEU 74 CO 0.17 -0.37 -0.42 -0.78 0.09 0.00 0.00 178.44 177.13 2d8c h ASP 75 N 0.07 0.69 0.22 -0.43 1.82 -0.73 0.17 116.42 118.23 2d8c h ASP 75 Ca 0.81 -0.56 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 2d8c h ASP 75 Cb 2.07 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 41.87 2d8c h ASP 75 CO -0.74 1.13 -0.16 0.24 -1.61 0.00 0.00 179.24 178.09 2d8c h MET 76 N 0.28 0.00 0.09 0.28 2.86 0.20 -3.03 114.93 115.62 2d8c h MET 76 Ca 0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 2d8c h MET 76 Cb 1.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2d8c h MET 76 CO 0.09 0.16 -1.43 0.82 1.06 0.00 0.00 176.91 177.61 2d8c h ILE 77 N 0.00 0.97 -1.30 -1.22 2.04 -0.54 -3.34 117.51 114.12 2d8c h ILE 77 Ca -0.00 -2.34 0.45 0.00 1.00 0.00 0.00 64.86 63.97 2d8c h ILE 77 Cb 0.31 2.61 -0.14 0.00 -0.74 0.00 0.00 36.82 38.85 2d8c h ILE 77 CO 0.02 0.66 0.82 -0.08 0.00 0.00 0.00 178.15 179.56 2d8c h GLU 78 N -0.40 0.04 -0.03 2.37 4.81 -0.53 1.93 114.58 122.75 2d8c h GLU 78 Ca -0.32 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.72 2d8c h GLU 78 Cb 1.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 2d8c h GLU 78 CO 0.01 0.02 -0.78 0.00 -0.73 0.00 0.00 179.01 177.53 2d8c h THR 79 N 0.04 1.43 0.00 0.32 1.03 -1.69 -2.44 112.91 111.60 2d8c h THR 79 Ca 0.86 -2.34 -0.00 0.00 -0.01 0.00 0.00 66.41 64.91 2d8c h THR 79 Cb 2.64 2.27 -0.00 0.00 -1.07 0.00 0.00 68.15 71.99 2d8c h THR 79 CO -0.51 0.69 -0.01 -0.07 -0.01 0.00 0.00 175.52 175.62 2d8c h LEU 80 N 0.17 0.00 0.00 0.00 3.38 0.29 -3.12 115.31 116.04 2d8c h LEU 80 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2d8c h LEU 80 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2d8c h LEU 80 CO 0.12 0.01 -1.24 0.29 0.09 0.00 0.00 178.44 177.71 2d8c n LYS 81 N -3.14 0.53 -0.41 1.13 4.01 -1.00 -4.13 118.16 115.14 2d8c n LYS 81 Ca -0.02 0.41 0.33 0.00 -0.51 0.00 0.00 58.31 58.52 2d8c n LYS 81 Cb 0.13 -1.60 0.53 0.00 -0.51 0.00 0.00 35.03 33.57 2d8c n LYS 81 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2d8c n MET 82 N -4.46 -0.01 0.06 1.97 0.00 -0.93 0.16 117.12 113.90 2d8c n MET 82 Ca -0.25 0.83 -0.11 0.00 0.00 0.00 0.00 57.70 58.17 2d8c n MET 82 Cb 0.56 -1.76 -0.08 0.00 0.00 0.00 0.00 33.22 31.94 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 -0.20 -6.99 3.17 5.08 -1.73 -3.46 114.58 110.44 2d8c h GLU 83 Ca 0.64 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 58.49 2d8c h GLU 83 Cb 2.32 0.05 0.21 0.00 0.50 0.00 0.00 28.75 31.83 2d8c h GLU 83 CO -0.18 0.23 -0.24 1.58 -1.00 0.00 0.00 179.01 179.40 2d8c n HIS 84 N -4.93 -0.48 -2.67 4.33 -0.00 0.42 -4.85 115.22 107.04 2d8c n HIS 84 Ca -0.08 0.30 -0.43 0.00 0.46 0.00 0.00 57.72 57.97 2d8c n HIS 84 Cb 0.27 -1.87 -0.00 0.00 -0.12 0.00 0.00 29.99 28.26 2d8c n HIS 84 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2d8c s HIS 85 N -2.50 2.94 -0.55 1.57 3.76 -1.26 -4.88 115.29 114.36 2d8c s HIS 85 Ca 0.61 -1.69 0.04 0.00 -0.15 0.00 0.00 55.06 53.87 2d8c s HIS 85 Cb -0.22 -4.64 0.14 0.00 1.11 0.00 0.00 32.58 28.96 2d8c s HIS 85 CO 0.63 -1.72 0.30 -1.64 -0.85 0.00 0.00 174.74 171.47 2d8c s MET 86 N 3.64 2.07 -0.49 1.40 -1.94 -1.26 -5.05 119.30 117.66 2d8c s MET 86 Ca 0.50 -2.74 -0.26 0.00 -1.71 0.00 0.00 55.69 51.48 2d8c s MET 86 Cb 0.02 -3.35 -0.06 0.00 2.01 0.00 0.00 34.83 33.46 2d8c s MET 86 CO 0.05 -1.14 2.29 -1.83 -0.01 0.00 0.00 175.02 174.38 2d8c s GLU 87 N -0.48 2.27 0.48 2.03 -1.05 -1.26 -4.94 118.70 115.74 2d8c s GLU 87 Ca 0.18 1.31 -0.14 0.00 -0.15 0.00 0.00 54.97 56.18 2d8c s GLU 87 Cb -0.22 -4.53 -0.07 0.00 -0.44 0.00 0.00 34.13 28.86 2d8c s GLU 87 CO -0.03 -3.09 0.90 0.00 0.95 0.00 0.00 175.26 173.99 2d8c s ALA 88 N 11.35 3.18 1.16 -0.84 0.00 -1.26 -5.04 121.76 130.30 2d8c s ALA 88 Ca 0.92 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 2d8c s ALA 88 Cb -0.17 -2.95 0.18 0.00 0.00 0.00 0.00 23.12 20.18 2d8c s ALA 88 CO 0.26 -0.17 0.34 -2.39 0.00 0.00 0.00 175.76 173.79 2d8c n HIS 89 N -1.54 -1.54 0.01 0.00 1.44 -1.26 -5.01 115.22 107.32 2d8c n HIS 89 Ca 0.05 -0.01 -0.02 0.00 -2.01 0.00 0.00 57.72 55.73 2d8c n HIS 89 Cb 0.54 -1.58 -0.01 0.00 0.12 0.00 0.00 29.99 29.07 2d8c n HIS 89 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2d8c n LYS 90 N -3.10 0.06 -1.38 -1.40 0.00 -1.26 -5.05 118.16 106.03 2d8c n LYS 90 Ca 0.02 0.03 -0.47 0.00 0.00 0.00 0.00 58.31 57.88 2d8c n LYS 90 Cb 0.59 -0.60 -0.03 0.00 0.00 0.00 0.00 35.03 34.99 2d8c n LYS 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2d8c n ASN 91 N -3.41 -1.23 -3.92 3.14 5.15 -1.26 -4.95 115.26 108.78 2d8c n ASN 91 Ca -0.03 1.11 -0.29 0.00 -0.60 0.00 0.00 54.58 54.77 2d8c n ASN 91 Cb 0.26 -0.94 -0.16 0.00 -0.53 0.00 0.00 39.78 38.41 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2d8c s SER 92 N -0.98 2.91 0.00 1.20 0.01 -1.26 -4.98 113.70 110.60 2d8c s SER 92 Ca 0.63 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2d8c s SER 92 Cb -0.92 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2d8c s SER 92 CO 0.55 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.65 2d8c n GLY 93 N 4.83 1.24 3.72 3.44 0.00 -1.26 -5.15 105.19 112.00 2d8c n GLY 93 Ca -0.13 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 1.22 -0.13 1.61 0.04 -1.26 -5.01 135.00 131.47 2d8c s PRO 94 Ca 0.00 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 2d8c s PRO 94 Cb 0.00 -1.81 -0.24 0.00 0.04 0.00 0.00 34.50 32.50 2d8c s PRO 94 CO 0.00 -2.26 0.73 0.77 0.04 0.00 0.00 177.00 176.28 2d8c h SER 95 N -1.56 -0.00 -4.28 6.66 0.02 -2.05 -3.46 113.55 108.87 2d8c h SER 95 Ca -0.50 -0.89 -0.52 0.00 -0.84 0.00 0.00 61.79 59.04 2d8c h SER 95 Cb 1.29 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.60 2d8c h SER 95 CO 0.55 0.93 -0.82 -0.94 -1.14 0.00 0.00 176.83 175.42 2d8c s SER 96 N -6.14 2.24 0.00 3.07 1.04 -1.26 -5.36 113.70 107.30 2d8c s SER 96 Ca -0.17 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2d8c s SER 96 Cb -0.03 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2d8c s SER 96 CO 0.63 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.51