#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c s SER 2 N 0.00 -0.13 -0.08 1.61 0.15 -1.26 -5.08 113.70 108.91 2d8c s SER 2 Ca 0.00 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.01 2d8c s SER 2 Cb 0.00 0.42 -0.22 0.00 -1.71 0.00 0.00 66.02 64.51 2d8c s SER 2 CO 0.00 -0.79 0.96 0.28 1.20 0.00 0.00 173.24 174.90 2d8c h SER 3 N 2.58 -0.02 0.00 5.45 0.02 -2.12 -3.49 113.55 115.97 2d8c h SER 3 Ca -0.34 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.90 2d8c h SER 3 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2d8c h SER 3 CO 0.49 0.73 0.00 0.61 -1.14 0.00 0.00 176.83 177.52 2d8c n GLY 4 N 0.96 0.74 3.87 -3.77 0.00 -1.26 -5.14 105.19 100.59 2d8c n GLY 4 Ca -0.09 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2d8c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8c s SER 5 N -0.28 3.98 0.17 1.61 0.01 -1.26 -5.08 113.70 112.85 2d8c s SER 5 Ca 0.00 0.75 0.06 0.00 1.31 0.00 0.00 55.95 58.07 2d8c s SER 5 Cb 0.00 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 2d8c s SER 5 CO 0.00 -2.23 0.09 -0.55 0.41 0.00 0.00 173.24 170.96 2d8c s SER 6 N -4.47 5.26 0.28 2.44 0.15 -1.26 -5.09 113.70 111.01 2d8c s SER 6 Ca 0.64 -0.23 -0.29 0.00 0.70 0.00 0.00 55.95 56.77 2d8c s SER 6 Cb -0.11 -1.29 -0.10 0.00 -1.71 0.00 0.00 66.02 62.81 2d8c s SER 6 CO 0.51 0.07 1.23 -0.83 1.20 0.00 0.00 173.24 175.42 2d8c s GLY 7 N -3.11 2.92 -0.11 9.45 0.00 -1.26 -4.98 107.32 110.23 2d8c s GLY 7 Ca 0.30 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.08 2d8c s GLY 7 CO 0.22 1.79 0.04 -0.33 0.00 0.00 0.00 173.10 174.82 2d8c h MET 8 N 3.96 0.00 -7.08 2.90 0.00 -2.02 -3.46 114.93 109.23 2d8c h MET 8 Ca -0.47 0.00 -0.45 0.00 0.00 0.00 0.00 59.70 58.78 2d8c h MET 8 Cb 1.22 0.00 0.07 0.00 0.00 0.00 0.00 31.60 32.89 2d8c h MET 8 CO 0.68 0.09 0.10 -0.51 0.00 0.00 0.00 176.91 177.27 2d8c s LEU 9 N -8.48 3.04 0.20 1.22 1.43 -1.26 -5.00 118.68 109.83 2d8c s LEU 9 Ca -0.04 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 2d8c s LEU 9 Cb 0.00 -2.62 -0.16 0.00 0.03 0.00 0.00 46.19 43.44 2d8c s LEU 9 CO 0.09 -1.55 0.85 -1.54 0.23 0.00 0.00 176.35 174.42 2d8c n SER 10 N -2.71 0.13 -4.79 2.29 3.41 -1.26 -4.91 113.62 105.78 2d8c n SER 10 Ca 0.10 1.15 -0.32 0.00 -0.26 0.00 0.00 58.87 59.55 2d8c n SER 10 Cb 0.60 -1.10 0.06 0.00 -0.26 0.00 0.00 64.21 63.52 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 -0.74 2.49 -0.06 7.33 0.00 -1.26 -5.02 121.76 124.50 2d8c s ALA 11 Ca 0.67 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 2d8c s ALA 11 Cb -0.88 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 2d8c s ALA 11 CO 0.56 -1.39 -0.18 0.54 0.00 0.00 0.00 175.76 175.30 2d8c n ARG 12 N -3.03 0.27 -2.65 0.00 5.12 -1.26 -4.98 116.66 110.13 2d8c n ARG 12 Ca 0.09 0.11 -0.43 0.00 -1.93 0.00 0.00 57.85 55.69 2d8c n ARG 12 Cb 0.53 -0.97 -0.02 0.00 -1.16 0.00 0.00 32.46 30.83 2d8c n ARG 12 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2d8c s THR 13 N -2.42 4.70 -0.44 0.55 -1.32 -1.26 -4.93 115.64 110.52 2d8c s THR 13 Ca -0.16 1.98 0.04 0.00 -1.21 0.00 0.00 61.69 62.35 2d8c s THR 13 Cb 0.03 -4.28 0.65 0.00 -1.51 0.00 0.00 72.50 67.40 2d8c s THR 13 CO 0.22 -0.03 1.89 0.80 -2.21 0.00 0.00 174.62 175.30 2d8c n MET 14 N 5.26 2.23 0.06 7.08 1.56 -1.26 -4.40 117.12 127.65 2d8c n MET 14 Ca 0.10 -3.03 -0.11 0.00 -0.27 0.00 0.00 57.70 54.39 2d8c n MET 14 Cb 0.48 -2.16 -0.13 0.00 2.15 0.00 0.00 33.22 33.56 2d8c n MET 14 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2d8c h LYS 15 N 1.03 0.11 0.01 2.12 3.64 -1.91 -3.38 116.57 118.18 2d8c h LYS 15 Ca 0.61 -0.18 -0.37 0.00 -1.27 0.00 0.00 60.65 59.44 2d8c h LYS 15 Cb 2.74 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 34.58 2d8c h LYS 15 CO 1.07 1.03 -2.03 -0.85 -2.27 0.00 0.00 179.45 176.40 2d8c n GLU 16 N -3.38 0.60 -2.09 1.90 0.28 -1.26 -1.99 120.64 114.70 2d8c n GLU 16 Ca -0.06 0.36 -0.03 0.00 -0.16 0.00 0.00 57.16 57.28 2d8c n GLU 16 Cb 0.99 -1.61 -0.01 0.00 1.43 0.00 0.00 31.44 32.24 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 -4.14 0.00 0.00 3.84 3.14 -1.26 -4.51 118.33 115.40 2d8c n VAL 17 Ca -0.44 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2d8c n VAL 17 Cb 0.84 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 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 -1.91 0.00 1.01 1.55 0.24 -1.26 -3.31 118.33 114.65 2d8c n VAL 18 Ca 0.01 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 2d8c n VAL 18 Cb 0.36 -0.57 0.24 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.13 0.37 -0.50 6.34 4.01 -1.26 -0.71 117.16 123.28 2d8c n TYR 19 Ca 0.00 -0.19 -0.26 0.00 -0.16 0.00 0.00 57.90 57.30 2d8c n TYR 19 Cb 0.42 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.45 -2.31 -3.57 -0.72 7.02 -1.26 -4.72 117.44 112.33 2d8c n TRP 20 Ca 0.14 -0.16 -0.20 0.00 -1.02 0.00 0.00 57.50 56.26 2d8c n TRP 20 Cb 0.31 -1.45 -0.02 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 -2.21 5.39 0.22 -0.99 0.01 -1.26 -4.24 113.70 110.62 2d8c s SER 21 Ca 0.51 -0.50 0.22 0.00 1.31 0.00 0.00 55.95 57.49 2d8c s SER 21 Cb -0.11 -0.86 0.92 0.00 0.21 0.00 0.00 66.02 66.19 2d8c s SER 21 CO 0.51 -0.51 1.67 -0.81 0.41 0.00 0.00 173.24 174.51 2d8c n PRO 22 N -1.53 0.16 -0.05 12.44 -0.04 -1.26 -2.22 135.00 142.49 2d8c n PRO 22 Ca 0.01 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.82 2d8c n PRO 22 Cb 0.60 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.12 0.67 -0.03 0.54 4.76 -1.26 -4.42 118.16 116.28 2d8c n LYS 23 Ca 0.02 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 2d8c n LYS 23 Cb 0.22 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.71 1.97 1.63 -1.86 -3.24 116.57 113.32 2d8c h LYS 24 Ca -0.37 0.00 0.51 0.00 -0.85 0.00 0.00 60.65 59.94 2d8c h LYS 24 Cb 1.95 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 33.49 2d8c h LYS 24 CO 0.04 0.67 1.20 0.28 -3.45 0.00 0.00 179.45 178.19 2d8c h VAL 25 N -0.82 0.07 0.34 2.00 2.07 -1.67 0.63 116.25 118.88 2d8c h VAL 25 Ca -0.00 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2d8c h VAL 25 Cb 0.72 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2d8c h VAL 25 CO 0.01 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 2d8c h ALA 26 N 1.22 -0.48 -1.34 1.67 0.00 -1.77 -3.17 119.26 115.39 2d8c h ALA 26 Ca 0.87 -0.10 0.45 0.00 0.00 0.00 0.00 54.91 56.13 2d8c h ALA 26 Cb 3.30 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 21.14 2d8c h ALA 26 CO -0.13 -0.45 0.87 -0.44 0.00 0.00 0.00 179.25 179.09 2d8c h ASP 27 N -1.05 0.23 -0.56 0.00 5.19 -0.92 1.45 116.42 120.77 2d8c h ASP 27 Ca -0.05 0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.42 2d8c h ASP 27 Cb 0.35 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 2d8c h ASP 27 CO 0.08 -0.21 0.02 -0.25 -3.12 0.00 0.00 179.24 175.76 2d8c h TRP 28 N 0.06 1.08 0.59 4.55 7.01 -1.47 -1.82 115.95 125.95 2d8c h TRP 28 Ca 0.84 -0.17 -0.03 0.00 2.11 0.00 0.00 58.89 61.64 2d8c h TRP 28 Cb 2.66 -0.29 0.01 0.00 -2.10 0.00 0.00 29.16 29.44 2d8c h TRP 28 CO -0.01 0.95 -0.29 -0.07 -2.79 0.00 0.00 178.44 176.24 2d8c h LEU 29 N 0.92 -0.68 -1.86 0.65 3.38 0.20 -2.98 115.31 114.95 2d8c h LEU 29 Ca 0.17 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.38 2d8c h LEU 29 Cb 0.51 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2d8c h LEU 29 CO 0.02 -0.42 0.56 -0.07 0.09 0.00 0.00 178.44 178.62 2d8c h LEU 30 N -0.92 0.12 -2.29 1.67 -0.00 -1.52 0.35 115.31 112.72 2d8c h LEU 30 Ca -0.08 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2d8c h LEU 30 Cb 0.61 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2d8c h LEU 30 CO 0.13 0.05 0.15 -0.08 -0.00 0.00 0.00 178.44 178.70 2d8c h GLU 31 N 0.12 0.00 -0.10 1.13 4.57 -1.17 -0.12 114.58 119.02 2d8c h GLU 31 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 2d8c h GLU 31 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2d8c h GLU 31 CO -0.05 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.87 2d8c n ASN 32 N -3.79 2.59 -2.29 1.04 3.02 0.11 -4.98 115.26 110.97 2d8c n ASN 32 Ca 0.00 -2.56 -0.10 0.00 -0.03 0.00 0.00 54.58 51.89 2d8c n ASN 32 Cb 0.26 -0.28 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.68 -1.04 -2.49 5.41 0.00 -0.06 -4.98 120.51 116.67 2d8c n ALA 33 Ca 0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 2d8c n ALA 33 Cb 0.53 -1.71 0.01 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.70 2.85 0.07 0.00 2.81 -0.43 -4.83 117.12 114.89 2d8c n MET 34 Ca -0.14 -4.15 0.09 0.00 -1.81 0.00 0.00 57.70 51.70 2d8c n MET 34 Cb 0.58 -1.99 0.40 0.00 -0.71 0.00 0.00 33.22 31.51 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 0.10 0.15 0.03 -0.04 -1.26 -2.47 135.00 131.10 2d8c n PRO 35 Ca 0.31 0.34 0.02 0.00 -0.04 0.00 0.00 63.50 64.13 2d8c n PRO 35 Cb 0.73 -1.69 0.19 0.00 -0.04 0.00 0.00 33.50 32.68 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 -3.00 114.58 114.27 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 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2d8c h GLU 36 CO 0.00 0.54 -0.62 0.66 0.07 0.00 0.00 179.01 179.66 2d8c n TYR 37 N -3.54 0.05 -0.15 2.06 4.01 -1.03 -4.07 117.16 114.49 2d8c n TYR 37 Ca -0.00 0.01 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2d8c n TYR 37 Cb 0.63 -0.25 0.31 0.00 -0.31 0.00 0.00 39.34 39.72 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 0.85 -1.22 0.00 0.00 5.08 -1.73 1.55 114.58 119.12 2d8c h GLU 39 Ca 0.25 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2d8c h GLU 39 Cb -0.04 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2d8c h GLU 39 CO -0.06 -0.81 0.00 -1.00 -1.00 0.00 0.00 179.01 176.14 2d8c h PRO 40 N -1.32 0.00 -0.22 2.33 0.13 -1.76 -2.53 132.00 128.63 2d8c h PRO 40 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2d8c h PRO 40 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2d8c h PRO 40 CO 0.21 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.26 2d8c n LEU 41 N -2.79 2.65 -0.30 1.56 4.77 0.90 -4.58 117.00 119.21 2d8c n LEU 41 Ca 0.01 -1.46 0.08 0.00 -0.03 0.00 0.00 56.01 54.61 2d8c n LEU 41 Cb 0.27 -0.14 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 2d8c n LEU 41 CO 0.24 0.58 1.11 1.05 -1.33 0.00 0.00 177.39 179.05 2d8c h GLU 42 N 2.72 0.62 -0.53 3.23 4.11 0.27 -0.26 114.58 124.73 2d8c h GLU 42 Ca 0.00 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.14 2d8c h GLU 42 Cb 0.69 -0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 2d8c h GLU 42 CO 0.00 0.41 0.14 -2.39 0.07 0.00 0.00 179.01 177.23 2d8c n HIS 43 N -4.86 1.67 -3.84 2.06 1.44 -1.26 -4.59 115.22 105.83 2d8c n HIS 43 Ca 0.18 -1.57 -0.36 0.00 -2.01 0.00 0.00 57.72 53.96 2d8c n HIS 43 Cb 0.45 -0.60 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 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 -3.21 3.60 0.02 -1.40 0.40 -0.11 -4.95 117.98 112.33 2d8c s PHE 44 Ca 0.48 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 2d8c s PHE 44 Cb 0.42 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 2d8c s PHE 44 CO 0.04 0.70 0.08 0.95 0.70 0.00 0.00 175.22 177.69 2d8c s THR 45 N -1.12 4.64 0.30 0.64 -4.23 -1.26 -4.24 115.64 110.36 2d8c s THR 45 Ca 0.19 -0.54 0.23 0.00 -1.18 0.00 0.00 61.69 60.40 2d8c s THR 45 Cb -0.13 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.91 2d8c s THR 45 CO 0.09 0.27 1.02 0.61 -0.54 0.00 0.00 174.62 176.07 2d8c n GLY 46 N 0.94 -0.57 0.12 3.99 0.00 -1.25 0.14 105.19 108.56 2d8c n GLY 46 Ca -0.11 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.16 -0.28 1.61 5.75 -0.91 -2.58 115.11 118.54 2d8c h GLN 47 Ca 0.58 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 59.07 2d8c h GLN 47 Cb 1.96 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.53 2d8c h GLN 47 CO -0.26 0.31 0.06 -0.44 -2.65 0.00 0.00 178.83 175.85 2d8c h ASP 48 N -0.83 0.36 -0.30 -0.69 3.32 0.88 -1.14 116.42 118.02 2d8c h ASP 48 Ca -0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2d8c h ASP 48 Cb 0.55 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2d8c h ASP 48 CO 0.03 0.38 0.03 0.25 -1.72 0.00 0.00 179.24 178.21 2d8c h LEU 49 N 0.40 0.49 -1.08 1.55 6.46 -0.58 -2.73 115.31 119.82 2d8c h LEU 49 Ca 0.10 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2d8c h LEU 49 Cb 0.17 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2d8c h LEU 49 CO -0.00 0.65 -0.08 0.16 -0.62 0.00 0.00 178.44 178.54 2d8c h ILE 50 N 0.32 0.19 -0.07 4.05 3.07 -1.09 -2.77 117.51 121.20 2d8c h ILE 50 Ca 0.09 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2d8c h ILE 50 Cb 0.38 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2d8c h ILE 50 CO 0.01 0.08 0.00 0.59 -1.05 0.00 0.00 178.15 177.78 2d8c n ASN 51 N -3.18 0.97 -4.77 2.16 3.02 -0.47 -4.84 115.26 108.15 2d8c n ASN 51 Ca 0.01 -2.05 -0.39 0.00 -0.03 0.00 0.00 54.58 52.12 2d8c n ASN 51 Cb 0.39 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.67 4.49 0.15 3.41 1.43 -1.05 -5.04 118.68 121.41 2d8c s LEU 52 Ca 0.06 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 2d8c s LEU 52 Cb 0.04 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2d8c s LEU 52 CO 0.03 0.12 -0.04 0.42 0.23 0.00 0.00 176.35 177.10 2d8c s THR 53 N -0.52 0.80 0.47 5.49 -4.23 -1.26 -5.01 115.64 111.38 2d8c s THR 53 Ca 0.35 -1.98 0.22 0.00 -1.18 0.00 0.00 61.69 59.10 2d8c s THR 53 Cb -0.21 -1.93 0.41 0.00 1.34 0.00 0.00 72.50 72.11 2d8c s THR 53 CO 0.22 -0.66 1.89 -0.61 -0.54 0.00 0.00 174.62 174.93 2d8c h GLN 54 N 2.79 0.23 0.00 3.99 4.15 -1.95 0.62 115.11 124.94 2d8c h GLN 54 Ca -0.36 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.02 2d8c h GLN 54 Cb 1.19 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 2d8c h GLN 54 CO 0.64 0.15 -0.10 0.93 -1.93 0.00 0.00 178.83 178.51 2d8c h GLU 55 N 0.23 0.00 0.00 1.69 4.39 -1.99 -2.45 114.58 116.46 2d8c h GLU 55 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2d8c h GLU 55 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2d8c h GLU 55 CO -0.10 0.10 0.00 -0.44 -1.16 0.00 0.00 179.01 177.41 2d8c h ASP 56 N 0.00 0.00 1.48 1.42 5.19 -0.10 -2.99 116.42 121.42 2d8c h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2d8c h ASP 56 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2d8c h ASP 56 CO 0.01 0.00 -0.09 -0.26 -3.12 0.00 0.00 179.24 175.79 2d8c h PHE 57 N 0.00 0.00 -0.27 4.55 -1.00 -1.35 -3.25 116.94 115.62 2d8c h PHE 57 Ca 0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 2d8c h PHE 57 Cb 0.77 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 2d8c h PHE 57 CO 0.00 0.00 -0.16 0.87 -1.61 0.00 0.00 178.31 177.41 2d8c h LYS 58 N 0.00 0.47 -6.08 1.51 1.57 -1.61 -3.34 116.57 109.09 2d8c h LYS 58 Ca 0.00 -0.14 -0.59 0.00 -1.87 0.00 0.00 60.65 58.04 2d8c h LYS 58 Cb 0.78 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.93 2d8c h LYS 58 CO 0.00 0.62 -0.67 -1.59 -0.57 0.00 0.00 179.45 177.24 2d8c s LYS 59 N -4.67 1.97 0.92 3.15 -2.85 -1.23 -4.94 119.74 112.10 2d8c s LYS 59 Ca -0.07 -1.74 -0.12 0.00 -1.00 0.00 0.00 55.97 53.05 2d8c s LYS 59 Cb 0.14 -1.88 0.15 0.00 -2.06 0.00 0.00 37.83 34.18 2d8c s LYS 59 CO 0.78 0.22 1.09 -1.25 0.10 0.00 0.00 175.35 176.29 2d8c s PRO 60 N -3.64 1.03 0.32 1.78 0.04 -1.26 -3.45 135.00 129.82 2d8c s PRO 60 Ca 0.33 0.74 0.11 0.00 0.04 0.00 0.00 61.00 62.22 2d8c s PRO 60 Cb -0.02 -1.79 0.54 0.00 0.04 0.00 0.00 34.50 33.27 2d8c s PRO 60 CO 0.18 -2.38 1.72 -1.00 0.04 0.00 0.00 177.00 175.56 2d8c h PRO 61 N -1.64 0.01 -5.92 0.56 0.13 -1.93 -3.48 132.00 119.72 2d8c h PRO 61 Ca -0.51 -0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 2d8c h PRO 61 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2d8c h PRO 61 CO 0.55 0.50 1.41 -0.51 -0.23 0.00 0.00 178.00 179.72 2d8c s LEU 62 N -7.93 3.33 -0.29 1.56 1.43 -1.22 -4.89 118.68 110.66 2d8c s LEU 62 Ca -0.02 0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 2d8c s LEU 62 Cb 0.14 -2.59 0.12 0.00 0.03 0.00 0.00 46.19 43.89 2d8c s LEU 62 CO 0.74 -2.44 0.63 -0.47 0.23 0.00 0.00 176.35 175.04 2d8c s TYR 63 N 9.59 -1.28 -1.67 0.29 5.04 -1.25 -4.02 117.35 124.04 2d8c s TYR 63 Ca 0.74 2.25 0.00 0.00 -2.44 0.00 0.00 57.07 57.62 2d8c s TYR 63 Cb -0.14 0.75 0.00 0.00 0.35 0.00 0.00 41.96 42.92 2d8c s TYR 63 CO 0.23 -0.65 0.00 0.54 -1.34 0.00 0.00 175.55 174.33 2d8c n ARG 64 N 5.42 -1.74 -0.19 4.97 5.12 -1.26 -4.85 116.66 124.13 2d8c n ARG 64 Ca -0.12 0.94 -0.03 0.00 -1.93 0.00 0.00 57.85 56.71 2d8c n ARG 64 Cb 0.49 -5.52 0.17 0.00 -1.16 0.00 0.00 32.46 26.44 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 1.23 -3.86 1.55 2.07 -1.92 -3.44 116.25 111.88 2d8c h VAL 65 Ca -0.42 -0.73 -0.26 0.00 0.82 0.00 0.00 66.70 66.11 2d8c h VAL 65 Cb 1.30 0.47 -0.18 0.00 -1.52 0.00 0.00 31.29 31.36 2d8c h VAL 65 CO 0.53 0.29 -0.72 -0.55 0.02 0.00 0.00 177.57 177.14 2d8c s SER 66 N -6.48 1.08 -0.17 0.57 0.15 -1.26 -5.00 113.70 102.59 2d8c s SER 66 Ca -0.11 -0.81 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2d8c s SER 66 Cb 0.16 0.06 0.20 0.00 -1.71 0.00 0.00 66.02 64.73 2d8c s SER 66 CO 0.81 -0.34 1.51 -1.54 1.20 0.00 0.00 173.24 174.87 2d8c n SER 67 N 0.60 4.08 -0.10 5.45 3.41 -1.26 -3.54 113.62 122.26 2d8c n SER 67 Ca -0.17 -2.62 0.03 0.00 -0.26 0.00 0.00 58.87 55.85 2d8c n SER 67 Cb 0.58 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 63.82 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d8c n ASP 68 N 0.19 1.35 -2.76 4.04 9.92 -1.26 -4.99 116.55 123.04 2d8c n ASP 68 Ca 0.20 -2.09 -0.20 0.00 -0.53 0.00 0.00 54.79 52.16 2d8c n ASP 68 Cb 0.78 -0.15 0.04 0.00 -0.64 0.00 0.00 41.12 41.15 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2d8c n ASN 69 N -0.57 -5.69 -3.41 -2.24 4.13 -1.23 -2.34 115.26 103.90 2d8c n ASN 69 Ca 0.04 -0.28 -0.22 0.00 1.68 0.00 0.00 54.58 55.80 2d8c n ASN 69 Cb 0.48 -4.49 0.08 0.00 -1.54 0.00 0.00 39.78 34.31 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d8c n GLY 70 N -1.49 -0.46 0.07 7.41 0.00 -1.26 -4.94 105.19 104.52 2d8c n GLY 70 Ca -0.09 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.55 0.00 -0.92 1.61 5.75 -1.85 -3.19 115.11 113.96 2d8c h GLN 71 Ca -0.54 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.12 2d8c h GLN 71 Cb 1.35 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.74 2d8c h GLN 71 CO 0.53 0.16 -0.35 -0.09 -2.65 0.00 0.00 178.83 176.42 2d8c h ARG 72 N -1.00 -0.02 0.74 1.69 2.43 -1.92 0.18 114.38 116.47 2d8c h ARG 72 Ca -0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2d8c h ARG 72 Cb 0.57 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2d8c h ARG 72 CO -0.03 -0.02 -0.36 1.25 -1.51 0.00 0.00 179.97 179.31 2d8c h LEU 73 N -0.03 -0.84 -0.96 3.80 5.85 -1.98 -1.59 115.31 119.56 2d8c h LEU 73 Ca 0.35 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.37 2d8c h LEU 73 Cb 0.61 0.22 -0.15 0.00 0.37 0.00 0.00 40.66 41.71 2d8c h LEU 73 CO -0.94 -0.55 0.43 -0.07 -0.34 0.00 0.00 178.44 176.97 2d8c h LEU 74 N -1.07 0.30 -0.54 2.25 3.38 -1.17 0.67 115.31 119.13 2d8c h LEU 74 Ca -0.10 0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2d8c h LEU 74 Cb 0.78 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2d8c h LEU 74 CO 0.17 -0.15 -0.17 -0.78 0.09 0.00 0.00 178.44 177.60 2d8c h ASP 75 N 0.27 1.02 0.65 -0.43 3.58 -0.50 0.24 116.42 121.26 2d8c h ASP 75 Ca 0.67 -0.36 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 2d8c h ASP 75 Cb 1.47 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2d8c h ASP 75 CO -0.64 1.16 -0.33 0.24 -2.88 0.00 0.00 179.24 176.79 2d8c h MET 76 N 0.88 0.00 0.18 0.28 2.86 0.12 -3.15 114.93 116.09 2d8c h MET 76 Ca 0.12 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.41 2d8c h MET 76 Cb 0.74 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.40 2d8c h MET 76 CO 0.06 0.33 -1.80 0.82 1.06 0.00 0.00 176.91 177.39 2d8c h ILE 77 N 0.00 0.88 -0.90 -1.22 2.04 -0.29 -3.36 117.51 114.66 2d8c h ILE 77 Ca -0.00 -2.49 0.25 0.00 1.00 0.00 0.00 64.86 63.62 2d8c h ILE 77 Cb 0.75 2.72 -0.15 0.00 -0.74 0.00 0.00 36.82 39.40 2d8c h ILE 77 CO 0.04 0.87 0.20 -0.08 0.00 0.00 0.00 178.15 179.18 2d8c h GLU 78 N 0.10 0.14 0.00 2.37 4.22 -0.48 1.30 114.58 122.23 2d8c h GLU 78 Ca -0.36 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.03 2d8c h GLU 78 Cb 2.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2d8c h GLU 78 CO 0.16 0.09 -0.23 0.00 -2.18 0.00 0.00 179.01 176.86 2d8c h THR 79 N 0.14 0.99 0.00 0.32 1.03 -1.71 -2.18 112.91 111.51 2d8c h THR 79 Ca 0.58 -0.83 -0.10 0.00 -0.01 0.00 0.00 66.41 66.04 2d8c h THR 79 Cb 1.20 1.47 -0.01 0.00 -1.07 0.00 0.00 68.15 69.73 2d8c h THR 79 CO -0.72 0.22 -0.50 -0.07 -0.01 0.00 0.00 175.52 174.44 2d8c h LEU 80 N 0.00 0.00 0.09 0.00 3.38 0.15 -3.24 115.31 115.70 2d8c h LEU 80 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2d8c h LEU 80 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2d8c h LEU 80 CO 0.03 0.50 -0.05 0.11 0.09 0.00 0.00 178.44 179.12 2d8c h LYS 81 N 0.00 -0.12 -1.15 1.13 6.56 -0.78 -3.29 116.57 118.92 2d8c h LYS 81 Ca -0.00 0.01 0.37 0.00 -1.06 0.00 0.00 60.65 59.97 2d8c h LYS 81 Cb 0.89 0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 32.50 2d8c h LYS 81 CO 0.06 -0.08 0.78 0.00 -2.06 0.00 0.00 179.45 178.15 2d8c n MET 82 N -4.03 -0.02 0.25 3.15 0.00 -0.99 0.12 117.12 115.61 2d8c n MET 82 Ca -0.02 0.87 -0.14 0.00 0.00 0.00 0.00 57.70 58.41 2d8c n MET 82 Cb 0.05 -1.80 -0.08 0.00 0.00 0.00 0.00 33.22 31.39 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 -0.64 -6.91 3.17 4.39 -1.64 -3.44 114.58 109.51 2d8c h GLU 83 Ca 0.66 0.04 -0.56 0.00 0.34 0.00 0.00 59.36 59.83 2d8c h GLU 83 Cb 2.30 0.14 0.15 0.00 -0.10 0.00 0.00 28.75 31.25 2d8c h GLU 83 CO -0.23 -0.33 0.33 1.58 -1.16 0.00 0.00 179.01 179.21 2d8c n HIS 84 N -5.27 1.48 -0.36 4.33 -0.00 0.32 -4.86 115.22 110.87 2d8c n HIS 84 Ca -0.11 0.45 -0.02 0.00 0.46 0.00 0.00 57.72 58.50 2d8c n HIS 84 Cb 0.31 -2.24 0.02 0.00 -0.12 0.00 0.00 29.99 27.97 2d8c n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2d8c n HIS 85 N -1.39 -0.02 -3.87 1.57 8.25 -1.26 -4.79 115.22 113.70 2d8c n HIS 85 Ca 0.12 1.13 -0.25 0.00 -0.26 0.00 0.00 57.72 58.46 2d8c n HIS 85 Cb 0.46 -0.81 0.01 0.00 1.12 0.00 0.00 29.99 30.76 2d8c n HIS 85 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2d8c n MET 86 N -5.33 -4.31 -1.92 -0.41 2.81 -1.26 -4.83 117.12 101.87 2d8c n MET 86 Ca 0.09 0.52 -0.42 0.00 -1.81 0.00 0.00 57.70 56.07 2d8c n MET 86 Cb 0.35 -5.00 0.00 0.00 -0.71 0.00 0.00 33.22 27.86 2d8c n MET 86 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2d8c n GLU 87 N -4.40 2.97 -0.24 0.03 -0.58 -1.26 -4.79 120.64 112.37 2d8c n GLU 87 Ca -0.21 -2.79 0.22 0.00 -0.42 0.00 0.00 57.16 53.96 2d8c n GLU 87 Cb 0.64 -3.29 0.41 0.00 -0.57 0.00 0.00 31.44 28.63 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8c n ALA 88 N 6.24 0.72 -1.66 0.62 0.00 -1.26 -4.35 120.51 120.81 2d8c n ALA 88 Ca 0.50 0.76 -0.49 0.00 0.00 0.00 0.00 53.44 54.22 2d8c n ALA 88 Cb 0.40 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 2d8c n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d8c n HIS 89 N -4.72 2.11 -2.66 0.00 8.25 -1.26 -4.89 115.22 112.05 2d8c n HIS 89 Ca 0.27 0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 2d8c n HIS 89 Cb 0.91 -2.52 -0.03 0.00 1.12 0.00 0.00 29.99 29.47 2d8c n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2d8c s LYS 90 N 1.73 3.43 0.39 -0.41 3.01 -1.26 -5.01 119.74 121.62 2d8c s LYS 90 Ca 0.85 0.04 0.08 0.00 -1.01 0.00 0.00 55.97 55.92 2d8c s LYS 90 Cb -0.77 -4.04 -0.06 0.00 -1.01 0.00 0.00 37.83 31.95 2d8c s LYS 90 CO 0.45 -1.66 0.09 0.54 0.51 0.00 0.00 175.35 175.28 2d8c s ASN 91 N 3.00 4.22 0.35 2.83 2.20 -1.26 -5.15 114.94 121.12 2d8c s ASN 91 Ca 0.38 -1.13 -0.12 0.00 -0.94 0.00 0.00 52.86 51.06 2d8c s ASN 91 Cb -0.09 -0.47 0.03 0.00 -2.00 0.00 0.00 41.25 38.72 2d8c s ASN 91 CO 0.23 -0.43 0.66 -0.44 -2.94 0.00 0.00 177.10 174.17 2d8c s SER 92 N -3.80 0.27 0.34 3.54 0.01 -1.26 -5.15 113.70 107.65 2d8c s SER 92 Ca 0.38 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2d8c s SER 92 Cb 0.04 0.76 0.00 0.00 0.21 0.00 0.00 66.02 67.04 2d8c s SER 92 CO 0.20 -1.50 0.00 0.61 0.41 0.00 0.00 173.24 172.97 2d8c n GLY 93 N -0.53 -2.20 3.57 3.44 0.00 -1.26 -4.41 105.19 103.80 2d8c n GLY 93 Ca -0.05 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.57 2.54 -0.92 1.61 0.04 -1.26 -4.90 135.00 129.54 2d8c s PRO 94 Ca 0.00 -0.56 -0.24 0.00 0.04 0.00 0.00 61.00 60.24 2d8c s PRO 94 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2d8c s PRO 94 CO 0.00 -3.56 1.66 -1.12 0.04 0.00 0.00 177.00 174.03 2d8c s SER 95 N 7.55 5.84 0.23 6.66 0.01 -1.26 -4.85 113.70 127.88 2d8c s SER 95 Ca 0.69 -0.92 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 2d8c s SER 95 Cb -0.05 -2.56 0.27 0.00 0.21 0.00 0.00 66.02 63.89 2d8c s SER 95 CO 0.03 -2.09 1.58 0.77 0.41 0.00 0.00 173.24 173.95 2d8c h SER 96 N 10.81 -0.98 0.00 2.44 4.64 -1.97 -3.54 113.55 124.94 2d8c h SER 96 Ca 0.08 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2d8c h SER 96 Cb 1.02 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2d8c h SER 96 CO 1.31 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.60