#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 0.00 0.32 1.61 0.01 -1.26 -5.03 113.70 109.35 2d8c s SER 2 Ca 0.00 0.52 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2d8c s SER 2 Cb 0.00 1.24 0.82 0.00 0.21 0.00 0.00 66.02 68.29 2d8c s SER 2 CO 0.00 -0.27 1.57 0.77 0.41 0.00 0.00 173.24 175.72 2d8c h SER 3 N 8.17 -0.39 0.00 2.44 4.64 -2.12 -3.45 113.55 122.84 2d8c h SER 3 Ca -0.18 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2d8c h SER 3 Cb 1.14 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2d8c h SER 3 CO 0.22 -0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 2d8c n GLY 4 N -1.47 3.81 3.63 -0.77 0.00 -1.26 -5.10 105.19 104.03 2d8c n GLY 4 Ca 0.25 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.35 0.02 1.61 1.04 -1.26 -5.07 113.70 109.68 2d8c s SER 5 Ca 0.00 0.63 -0.27 0.00 0.48 0.00 0.00 55.95 56.78 2d8c s SER 5 Cb 0.00 0.61 -0.16 0.00 0.10 0.00 0.00 66.02 66.58 2d8c s SER 5 CO 0.00 -0.16 1.19 -1.28 0.98 0.00 0.00 173.24 173.97 2d8c h SER 6 N 3.64 -0.72 -5.00 7.02 0.87 -2.03 -3.50 113.55 113.84 2d8c h SER 6 Ca -0.25 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2d8c h SER 6 Cb 1.18 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2d8c h SER 6 CO 0.16 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 176.71 2d8c n GLY 7 N -0.67 -2.21 3.21 5.77 0.00 -1.26 -5.09 105.19 104.94 2d8c n GLY 7 Ca -0.12 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 2d8c n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8c s MET 8 N -0.91 1.00 0.05 1.61 1.00 -1.26 -5.07 119.30 115.72 2d8c s MET 8 Ca 0.00 -1.46 -0.27 0.00 0.00 0.00 0.00 55.69 53.97 2d8c s MET 8 Cb 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 34.83 34.43 2d8c s MET 8 CO 0.00 -0.09 1.52 1.25 0.00 0.00 0.00 175.02 177.70 2d8c h LEU 9 N 2.80 -0.33 -9.32 -0.03 6.46 -2.05 -3.46 115.31 109.39 2d8c h LEU 9 Ca -0.36 -0.09 -0.50 0.00 -0.12 0.00 0.00 57.88 56.81 2d8c h LEU 9 Cb 1.19 0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 41.07 2d8c h LEU 9 CO 0.63 -0.11 -0.60 -0.55 -0.62 0.00 0.00 178.44 177.19 2d8c s SER 10 N -4.97 2.65 0.67 1.25 0.15 -1.26 -4.88 113.70 107.31 2d8c s SER 10 Ca -0.15 -1.39 0.05 0.00 0.70 0.00 0.00 55.95 55.15 2d8c s SER 10 Cb 0.04 -0.10 0.12 0.00 -1.71 0.00 0.00 66.02 64.37 2d8c s SER 10 CO 0.61 -0.60 0.92 0.00 1.20 0.00 0.00 173.24 175.37 2d8c s ALA 11 N -3.19 4.22 0.00 5.45 0.00 -1.26 -5.06 121.76 121.92 2d8c s ALA 11 Ca 0.35 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2d8c s ALA 11 Cb 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2d8c s ALA 11 CO 0.16 -1.25 0.00 -2.13 0.00 0.00 0.00 175.76 172.54 2d8c n ARG 12 N -2.59 0.85 -4.38 0.00 3.00 -1.26 -5.07 116.66 107.20 2d8c n ARG 12 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.74 2d8c n ARG 12 Cb 0.61 -0.93 -0.12 0.00 0.00 0.00 0.00 32.46 32.03 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 -1.86 2.52 -0.04 5.15 -1.32 -1.26 -5.03 115.64 113.80 2d8c s THR 13 Ca 0.00 -1.84 0.06 0.00 -1.21 0.00 0.00 61.69 58.70 2d8c s THR 13 Cb 0.00 -2.19 0.09 0.00 -1.51 0.00 0.00 72.50 68.89 2d8c s THR 13 CO 0.00 -0.04 1.04 0.23 -2.21 0.00 0.00 174.62 173.64 2d8c n MET 14 N 0.45 2.37 0.34 7.08 2.81 -1.26 -4.68 117.12 124.23 2d8c n MET 14 Ca -0.14 -1.81 0.22 0.00 -1.81 0.00 0.00 57.70 54.16 2d8c n MET 14 Cb 0.55 -1.14 1.17 0.00 -0.71 0.00 0.00 33.22 33.09 2d8c n MET 14 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2d8c h LYS 15 N 0.00 0.00 0.00 0.03 3.64 -1.89 -3.22 116.57 115.13 2d8c h LYS 15 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2d8c h LYS 15 Cb 0.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2d8c h LYS 15 CO 0.00 0.00 -1.15 -0.85 -2.27 0.00 0.00 179.45 175.18 2d8c n GLU 16 N -3.04 0.25 -1.86 1.90 0.28 -1.26 -2.77 120.64 114.15 2d8c n GLU 16 Ca -0.03 0.11 -0.03 0.00 -0.16 0.00 0.00 57.16 57.05 2d8c n GLU 16 Cb 0.11 -0.94 -0.01 0.00 1.43 0.00 0.00 31.44 32.04 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 -3.73 -0.07 -0.02 3.84 3.14 -1.22 -4.62 118.33 115.65 2d8c n VAL 17 Ca -0.17 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.18 2d8c n VAL 17 Cb 0.48 -0.33 -0.02 0.00 -1.06 0.00 0.00 33.84 32.91 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 -2.02 0.27 1.60 1.55 0.24 -1.26 -2.82 118.33 115.89 2d8c n VAL 18 Ca -0.03 -0.10 0.10 0.00 -2.04 0.00 0.00 64.34 62.27 2d8c n VAL 18 Cb 0.33 -0.68 0.47 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.38 6.34 4.01 -1.26 -1.52 117.16 121.81 2d8c n TYR 19 Ca -0.08 -0.05 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 2d8c n TYR 19 Cb 0.59 0.00 0.17 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 -0.20 -2.76 -3.99 -0.72 7.02 -1.26 -4.93 117.44 110.59 2d8c n TRP 20 Ca 0.15 -0.25 -0.23 0.00 -1.02 0.00 0.00 57.50 56.15 2d8c n TRP 20 Cb 0.21 -1.19 -0.06 0.00 -2.42 0.00 0.00 31.31 27.84 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 -2.28 4.74 0.24 -0.99 1.04 -1.26 -4.42 113.70 110.77 2d8c s SER 21 Ca 0.39 -0.81 0.23 0.00 0.48 0.00 0.00 55.95 56.24 2d8c s SER 21 Cb -0.07 -0.67 0.96 0.00 0.10 0.00 0.00 66.02 66.33 2d8c s SER 21 CO 0.33 -0.41 1.69 -0.81 0.98 0.00 0.00 173.24 175.02 2d8c n PRO 22 N -1.25 0.18 -0.02 4.02 -0.04 -1.26 -2.31 135.00 134.33 2d8c n PRO 22 Ca -0.01 0.41 0.02 0.00 -0.04 0.00 0.00 63.50 63.88 2d8c n PRO 22 Cb 0.62 -1.85 -0.13 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 -2.19 0.65 -0.05 0.54 4.76 -1.26 -4.41 118.16 116.21 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 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.71 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 -1.04 1.97 1.63 -1.82 -3.27 116.57 114.01 2d8c h LYS 24 Ca -0.20 0.00 0.42 0.00 -0.85 0.00 0.00 60.65 60.02 2d8c h LYS 24 Cb 1.50 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 32.97 2d8c h LYS 24 CO 0.02 0.64 0.59 0.28 -3.45 0.00 0.00 179.45 177.53 2d8c n VAL 25 N -4.70 -0.37 0.33 2.00 0.31 -0.98 -0.26 118.33 114.66 2d8c n VAL 25 Ca -0.07 1.90 -0.15 0.00 -0.01 0.00 0.00 64.34 66.01 2d8c n VAL 25 Cb 0.33 -3.10 -0.07 0.00 -0.91 0.00 0.00 33.84 30.09 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 1.83 -0.87 -1.15 3.52 0.00 -1.77 -3.03 119.26 117.80 2d8c h ALA 26 Ca 0.82 -0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.91 2d8c h ALA 26 Cb 2.29 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 20.28 2d8c h ALA 26 CO -0.67 -0.84 0.70 -0.44 0.00 0.00 0.00 179.25 178.00 2d8c h ASP 27 N -1.16 0.36 -0.37 0.00 3.32 -0.68 1.27 116.42 119.16 2d8c h ASP 27 Ca -0.09 0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2d8c h ASP 27 Cb 0.70 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2d8c h ASP 27 CO 0.15 -0.18 0.05 -0.25 -1.72 0.00 0.00 179.24 177.29 2d8c h TRP 28 N 0.18 0.73 0.44 4.55 7.01 -1.30 -1.46 115.95 126.09 2d8c h TRP 28 Ca 0.78 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.68 2d8c h TRP 28 Cb 2.15 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 29.00 2d8c h TRP 28 CO -0.01 0.66 -0.21 -0.07 -2.79 0.00 0.00 178.44 176.02 2d8c h LEU 29 N 0.67 -0.50 -1.61 0.65 3.38 0.17 -3.12 115.31 114.95 2d8c h LEU 29 Ca 0.14 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.33 2d8c h LEU 29 Cb 0.34 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2d8c h LEU 29 CO 0.01 -0.28 0.58 -0.07 0.09 0.00 0.00 178.44 178.77 2d8c h LEU 30 N -0.74 0.32 -2.15 1.67 -0.00 -1.50 0.33 115.31 113.23 2d8c h LEU 30 Ca -0.06 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.92 2d8c h LEU 30 Cb 0.45 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2d8c h LEU 30 CO 0.10 0.13 0.26 -0.08 -0.00 0.00 0.00 178.44 178.85 2d8c h GLU 31 N 0.33 0.00 -0.19 1.13 4.57 -1.20 0.11 114.58 119.32 2d8c h GLU 31 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 2d8c h GLU 31 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2d8c h GLU 31 CO -0.14 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.78 2d8c n ASN 32 N -3.86 2.78 -2.09 1.04 3.02 0.10 -4.98 115.26 111.28 2d8c n ASN 32 Ca 0.03 -2.32 -0.09 0.00 -0.03 0.00 0.00 54.58 52.18 2d8c n ASN 32 Cb 0.40 -0.25 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.85 -2.46 5.41 0.00 0.39 -4.98 120.51 117.83 2d8c n ALA 33 Ca 0.11 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 2d8c n ALA 33 Cb 0.49 -1.82 0.01 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.51 3.01 0.00 0.00 2.81 -0.36 -4.82 117.12 115.24 2d8c n MET 34 Ca -0.10 -4.22 0.07 0.00 -1.81 0.00 0.00 57.70 51.65 2d8c n MET 34 Cb 0.56 -2.06 0.38 0.00 -0.71 0.00 0.00 33.22 31.40 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 -0.44 0.24 0.14 0.03 -0.04 -1.26 -2.32 135.00 131.34 2d8c n PRO 35 Ca 0.33 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 2d8c n PRO 35 Cb 0.73 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 2d8c h GLU 36 CO 0.00 0.36 -0.82 0.66 0.05 0.00 0.00 179.01 179.26 2d8c n TYR 37 N -3.13 0.03 -0.35 2.06 4.01 -0.98 -4.22 117.16 114.59 2d8c n TYR 37 Ca 0.01 0.01 -0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2d8c n TYR 37 Cb 0.71 -0.16 0.15 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 1.26 -1.13 0.00 0.00 5.08 -1.76 1.03 114.58 119.06 2d8c h GLU 39 Ca 0.37 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2d8c h GLU 39 Cb -0.06 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2d8c h GLU 39 CO -0.10 -0.75 0.00 -1.00 -1.00 0.00 0.00 179.01 176.16 2d8c h PRO 40 N -1.17 0.00 -0.52 2.33 0.13 -1.77 -2.49 132.00 128.51 2d8c h PRO 40 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2d8c h PRO 40 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2d8c h PRO 40 CO 0.08 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.13 2d8c n LEU 41 N -3.00 3.41 0.04 1.56 4.77 0.99 -4.60 117.00 120.17 2d8c n LEU 41 Ca 0.01 -1.91 -0.11 0.00 -0.03 0.00 0.00 56.01 53.96 2d8c n LEU 41 Cb 0.29 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2d8c n LEU 41 CO 0.26 0.84 0.69 1.05 -1.33 0.00 0.00 177.39 178.90 2d8c h GLU 42 N 3.30 -0.36 -0.92 3.23 4.11 0.16 -1.68 114.58 122.43 2d8c h GLU 42 Ca 0.00 0.02 -0.36 0.00 0.07 0.00 0.00 59.36 59.10 2d8c h GLU 42 Cb 0.86 0.08 -0.21 0.00 0.50 0.00 0.00 28.75 29.98 2d8c h GLU 42 CO 0.00 -0.24 0.45 0.72 0.07 0.00 0.00 179.01 180.02 2d8c n HIS 43 N -5.37 2.53 -3.69 2.06 8.25 -1.26 -4.66 115.22 113.07 2d8c n HIS 43 Ca -0.04 -1.46 -0.33 0.00 -0.26 0.00 0.00 57.72 55.63 2d8c n HIS 43 Cb 0.29 -0.78 -0.05 0.00 1.12 0.00 0.00 29.99 30.57 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 -2.85 3.52 0.05 4.41 0.40 -0.63 -4.98 117.98 117.90 2d8c s PHE 44 Ca 0.50 0.58 0.06 0.00 -0.60 0.00 0.00 56.93 57.47 2d8c s PHE 44 Cb 0.41 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 2d8c s PHE 44 CO 0.11 0.50 -0.13 0.95 0.70 0.00 0.00 175.22 177.35 2d8c s THR 45 N -1.53 3.20 0.27 0.64 -4.23 -1.26 -4.16 115.64 108.57 2d8c s THR 45 Ca 0.36 -1.11 0.17 0.00 -1.18 0.00 0.00 61.69 59.94 2d8c s THR 45 Cb -0.13 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.58 2d8c s THR 45 CO 0.22 0.28 1.07 0.61 -0.54 0.00 0.00 174.62 176.25 2d8c n GLY 46 N 1.28 -0.53 0.11 3.99 0.00 -1.26 0.15 105.19 108.93 2d8c n GLY 46 Ca -0.15 0.54 -0.13 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 -0.49 1.61 5.75 -1.11 -2.36 115.11 118.36 2d8c h GLN 47 Ca 0.58 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 59.05 2d8c h GLN 47 Cb 1.69 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.25 2d8c h GLN 47 CO -0.44 0.22 0.10 -0.44 -2.65 0.00 0.00 178.83 175.62 2d8c h ASP 48 N -0.58 0.69 -0.31 -0.69 3.32 0.10 -2.08 116.42 116.88 2d8c h ASP 48 Ca -0.02 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2d8c h ASP 48 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2d8c h ASP 48 CO 0.03 0.70 0.19 0.25 -1.72 0.00 0.00 179.24 178.69 2d8c h LEU 49 N 0.72 0.37 -1.45 1.55 6.46 -0.55 -2.09 115.31 120.31 2d8c h LEU 49 Ca 0.16 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 2d8c h LEU 49 Cb 0.30 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2d8c h LEU 49 CO 0.00 0.31 -0.19 0.16 -0.62 0.00 0.00 178.44 178.10 2d8c h ILE 50 N 0.40 0.57 -0.06 4.05 3.07 -1.19 -2.39 117.51 121.96 2d8c h ILE 50 Ca 0.11 -0.89 0.00 0.00 1.55 0.00 0.00 64.86 65.63 2d8c h ILE 50 Cb 0.00 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 2d8c h ILE 50 CO -0.02 0.18 0.00 0.59 -1.05 0.00 0.00 178.15 177.85 2d8c n ASN 51 N -3.49 0.94 -4.75 2.16 3.02 -0.79 -4.83 115.26 107.51 2d8c n ASN 51 Ca -0.01 -2.04 -0.39 0.00 -0.03 0.00 0.00 54.58 52.11 2d8c n ASN 51 Cb 0.35 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.57 4.40 0.10 3.41 1.43 -0.90 -5.02 118.68 121.53 2d8c s LEU 52 Ca 0.04 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 2d8c s LEU 52 Cb 0.03 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2d8c s LEU 52 CO 0.02 0.05 -0.08 0.42 0.23 0.00 0.00 176.35 176.98 2d8c s THR 53 N 0.02 0.81 0.60 5.49 -4.23 -1.26 -5.01 115.64 112.05 2d8c s THR 53 Ca 0.33 -1.75 0.29 0.00 -1.18 0.00 0.00 61.69 59.38 2d8c s THR 53 Cb -0.18 -1.47 0.40 0.00 1.34 0.00 0.00 72.50 72.58 2d8c s THR 53 CO 0.18 -0.70 1.65 -0.61 -0.54 0.00 0.00 174.62 174.60 2d8c h GLN 54 N 3.31 0.00 -0.19 3.99 5.75 -1.95 0.89 115.11 126.91 2d8c h GLN 54 Ca -0.36 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 57.97 2d8c h GLN 54 Cb 1.18 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 2d8c h GLN 54 CO 0.58 0.00 -0.56 0.93 -2.65 0.00 0.00 178.83 177.13 2d8c h GLU 55 N 0.00 0.59 0.00 1.69 5.08 -1.98 -2.82 114.58 117.14 2d8c h GLU 55 Ca 0.35 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2d8c h GLU 55 Cb 1.97 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2d8c h GLU 55 CO -0.00 0.99 0.00 -0.44 -1.00 0.00 0.00 179.01 178.56 2d8c h ASP 56 N 0.45 0.00 0.56 1.42 3.32 0.47 -1.97 116.42 120.67 2d8c h ASP 56 Ca 0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 2d8c h ASP 56 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2d8c h ASP 56 CO 0.11 0.00 -0.93 -0.26 -1.72 0.00 0.00 179.24 176.44 2d8c h PHE 57 N 0.00 0.36 -0.00 4.55 -1.00 -1.45 -3.12 116.94 116.28 2d8c h PHE 57 Ca 0.00 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.57 2d8c h PHE 57 Cb 0.20 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2d8c h PHE 57 CO 0.00 1.04 0.02 0.87 -1.61 0.00 0.00 178.31 178.63 2d8c h LYS 58 N 0.12 0.00 -5.28 1.51 1.57 -1.42 -3.34 116.57 109.74 2d8c h LYS 58 Ca -0.06 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.32 2d8c h LYS 58 Cb 1.58 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.74 2d8c h LYS 58 CO 0.15 0.00 -0.69 -1.59 -0.57 0.00 0.00 179.45 176.74 2d8c s LYS 59 N -4.24 1.31 0.90 3.15 -2.85 -1.18 -5.00 119.74 111.82 2d8c s LYS 59 Ca -0.05 -1.62 -0.12 0.00 -1.00 0.00 0.00 55.97 53.19 2d8c s LYS 59 Cb 0.13 -0.85 0.13 0.00 -2.06 0.00 0.00 37.83 35.19 2d8c s LYS 59 CO 0.43 0.04 1.09 -1.25 0.10 0.00 0.00 175.35 175.77 2d8c s PRO 60 N -3.75 1.23 0.23 1.78 0.04 -1.26 -3.55 135.00 129.71 2d8c s PRO 60 Ca 0.24 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2d8c s PRO 60 Cb 0.03 -1.81 0.24 0.00 0.04 0.00 0.00 34.50 33.01 2d8c s PRO 60 CO 0.07 -2.26 1.60 -1.00 0.04 0.00 0.00 177.00 175.44 2d8c h PRO 61 N -1.56 0.49 -5.84 0.56 0.13 -1.92 -3.48 132.00 120.38 2d8c h PRO 61 Ca -0.50 -0.26 -0.49 0.00 -0.87 0.00 0.00 66.00 63.88 2d8c h PRO 61 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.55 0.83 1.49 -0.51 -0.23 0.00 0.00 178.00 180.13 2d8c s LEU 62 N -8.41 3.37 -0.19 1.56 1.43 -1.23 -4.90 118.68 110.30 2d8c s LEU 62 Ca -0.07 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 53.85 2d8c s LEU 62 Cb 0.12 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.76 2d8c s LEU 62 CO 0.82 -2.53 0.38 -0.47 0.23 0.00 0.00 176.35 174.78 2d8c s TYR 63 N 10.30 -0.73 -1.44 0.29 5.04 -1.25 -3.97 117.35 125.58 2d8c s TYR 63 Ca 0.85 1.31 -0.09 0.00 -2.44 0.00 0.00 57.07 56.70 2d8c s TYR 63 Cb -0.17 0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.38 2d8c s TYR 63 CO 0.25 -0.50 0.68 0.54 -1.34 0.00 0.00 175.55 175.19 2d8c n ARG 64 N 5.38 -4.64 -0.02 4.97 1.74 -1.26 -4.87 116.66 117.96 2d8c n ARG 64 Ca -0.07 0.67 -0.16 0.00 -0.77 0.00 0.00 57.85 57.52 2d8c n ARG 64 Cb 0.50 -5.49 -0.05 0.00 -1.02 0.00 0.00 32.46 26.40 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d8c h VAL 65 N -1.46 1.29 -1.78 1.55 2.07 -1.93 -3.46 116.25 112.53 2d8c h VAL 65 Ca -0.50 -1.97 -0.61 0.00 0.82 0.00 0.00 66.70 64.44 2d8c h VAL 65 Cb 1.34 1.96 -0.12 0.00 -1.52 0.00 0.00 31.29 32.95 2d8c h VAL 65 CO 0.58 0.62 -0.61 -0.55 0.02 0.00 0.00 177.57 177.63 2d8c s SER 66 N -7.07 3.98 0.00 0.57 0.15 -1.26 -4.95 113.70 105.12 2d8c s SER 66 Ca -0.10 -1.21 0.23 0.00 0.70 0.00 0.00 55.95 55.58 2d8c s SER 66 Cb 0.09 -0.42 0.69 0.00 -1.71 0.00 0.00 66.02 64.67 2d8c s SER 66 CO 0.89 -0.36 1.53 -0.24 1.20 0.00 0.00 173.24 176.27 2d8c n SER 67 N -0.96 2.12 -1.53 5.45 2.88 -1.26 -3.88 113.62 116.43 2d8c n SER 67 Ca -0.04 -1.75 0.02 0.00 -1.33 0.00 0.00 58.87 55.76 2d8c n SER 67 Cb 0.65 -0.10 0.30 0.00 -0.75 0.00 0.00 64.21 64.31 2d8c n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2d8c n ASP 68 N 0.63 4.48 -2.24 -3.46 -0.08 -1.26 -4.91 116.55 109.70 2d8c n ASP 68 Ca 0.17 -3.16 -0.21 0.00 -1.51 0.00 0.00 54.79 50.09 2d8c n ASP 68 Cb 0.42 -0.66 -0.02 0.00 2.34 0.00 0.00 41.12 43.20 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2d8c n ASN 69 N -0.22 -5.81 -0.78 1.67 4.13 -1.25 -1.89 115.26 111.12 2d8c n ASN 69 Ca 0.31 0.06 -0.04 0.00 1.68 0.00 0.00 54.58 56.59 2d8c n ASN 69 Cb 1.16 -4.86 0.01 0.00 -1.54 0.00 0.00 39.78 34.54 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 -0.94 0.51 0.05 7.41 0.00 -1.26 -5.00 105.19 105.96 2d8c n GLY 70 Ca -0.24 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.28 0.00 -0.81 1.61 5.75 -1.77 -3.29 115.11 116.32 2d8c h GLN 71 Ca -0.09 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.49 2d8c h GLN 71 Cb 1.06 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.51 2d8c h GLN 71 CO 0.10 0.00 -0.47 -2.13 -2.65 0.00 0.00 178.83 173.68 2d8c n ARG 72 N -3.95 -0.34 0.16 1.69 0.63 -1.26 -0.54 116.66 113.04 2d8c n ARG 72 Ca -0.05 1.23 -0.15 0.00 -0.92 0.00 0.00 57.85 57.96 2d8c n ARG 72 Cb 0.19 -1.81 -0.08 0.00 0.45 0.00 0.00 32.46 31.20 2d8c n ARG 72 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2d8c h LEU 73 N 0.00 -1.28 -1.00 6.15 5.85 -1.98 -0.86 115.31 122.19 2d8c h LEU 73 Ca 0.14 0.13 0.31 0.00 0.84 0.00 0.00 57.88 59.31 2d8c h LEU 73 Cb 0.35 0.47 -0.15 0.00 0.37 0.00 0.00 40.66 41.70 2d8c h LEU 73 CO -0.77 -0.53 0.56 -0.07 -0.34 0.00 0.00 178.44 177.29 2d8c h LEU 74 N -0.74 0.53 -0.51 2.25 3.38 -0.88 0.63 115.31 119.97 2d8c h LEU 74 Ca -0.00 0.18 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2d8c h LEU 74 Cb 0.73 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2d8c h LEU 74 CO -0.20 -0.10 -0.24 -0.78 0.09 0.00 0.00 178.44 177.20 2d8c h ASP 75 N 0.36 0.99 -0.15 -0.43 3.58 0.11 0.13 116.42 121.01 2d8c h ASP 75 Ca 0.72 -0.39 -0.07 0.00 0.42 0.00 0.00 57.03 57.71 2d8c h ASP 75 Cb 1.60 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.36 2d8c h ASP 75 CO -0.59 1.18 -0.13 0.24 -2.88 0.00 0.00 179.24 177.06 2d8c h MET 76 N 0.82 0.52 0.23 0.28 2.86 0.15 -3.07 114.93 116.73 2d8c h MET 76 Ca 0.10 -0.15 -0.31 0.00 -2.06 0.00 0.00 59.70 57.28 2d8c h MET 76 Cb 0.82 -0.05 0.03 0.00 0.06 0.00 0.00 31.60 32.46 2d8c h MET 76 CO 0.07 0.64 -1.38 0.82 1.06 0.00 0.00 176.91 178.12 2d8c h ILE 77 N 0.48 1.30 -0.92 -1.22 2.04 -0.83 -3.32 117.51 115.03 2d8c h ILE 77 Ca 0.09 -2.66 0.27 0.00 1.00 0.00 0.00 64.86 63.56 2d8c h ILE 77 Cb 0.50 3.06 -0.15 0.00 -0.74 0.00 0.00 36.82 39.49 2d8c h ILE 77 CO 0.03 0.79 0.29 -0.08 0.00 0.00 0.00 178.15 179.19 2d8c h GLU 78 N 0.05 0.19 0.00 2.37 4.22 -0.64 1.29 114.58 122.06 2d8c h GLU 78 Ca -0.24 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.13 2d8c h GLU 78 Cb 2.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2d8c h GLU 78 CO 0.25 0.12 -0.28 0.00 -2.18 0.00 0.00 179.01 176.92 2d8c h THR 79 N 0.19 1.00 -0.14 0.32 1.03 -1.65 -2.55 112.91 111.11 2d8c h THR 79 Ca 0.61 -1.03 -0.13 0.00 -0.01 0.00 0.00 66.41 65.85 2d8c h THR 79 Cb 1.31 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 2d8c h THR 79 CO -0.68 0.28 -0.47 -0.07 -0.01 0.00 0.00 175.52 174.56 2d8c h LEU 80 N 0.00 0.39 0.24 0.00 3.38 0.15 -3.16 115.31 116.31 2d8c h LEU 80 Ca -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2d8c h LEU 80 Cb 0.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2d8c h LEU 80 CO 0.04 0.80 -0.11 0.11 0.09 0.00 0.00 178.44 179.37 2d8c h LYS 81 N 0.29 -0.31 -0.91 1.13 6.56 -0.99 -3.25 116.57 119.09 2d8c h LYS 81 Ca 0.02 0.02 0.36 0.00 -1.06 0.00 0.00 60.65 59.99 2d8c h LYS 81 Cb 0.94 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 32.53 2d8c h LYS 81 CO 0.08 -0.20 0.52 0.00 -2.06 0.00 0.00 179.45 177.78 2d8c n MET 82 N -4.20 -0.05 -0.18 3.15 0.00 -1.00 0.22 117.12 115.07 2d8c n MET 82 Ca -0.04 1.12 -0.07 0.00 0.00 0.00 0.00 57.70 58.71 2d8c n MET 82 Cb 0.12 -2.06 0.02 0.00 0.00 0.00 0.00 33.22 31.30 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 0.70 -7.44 3.17 4.39 -1.60 -3.44 114.58 110.35 2d8c h GLU 83 Ca 0.71 -0.06 -0.47 0.00 0.34 0.00 0.00 59.36 59.89 2d8c h GLU 83 Cb 1.99 -0.15 0.13 0.00 -0.10 0.00 0.00 28.75 30.62 2d8c h GLU 83 CO -0.58 0.50 0.29 -1.58 -1.16 0.00 0.00 179.01 176.48 2d8c s HIS 84 N -6.02 2.53 -1.32 4.33 2.46 0.60 -4.82 115.29 113.05 2d8c s HIS 84 Ca -0.13 0.98 -0.15 0.00 0.47 0.00 0.00 55.06 56.23 2d8c s HIS 84 Cb 0.12 -3.28 0.10 0.00 -0.13 0.00 0.00 32.58 29.38 2d8c s HIS 84 CO 0.75 -2.28 1.84 0.72 -2.47 0.00 0.00 174.74 173.30 2d8c n HIS 85 N -3.74 4.13 -3.13 3.88 8.25 -1.26 -4.97 115.22 118.38 2d8c n HIS 85 Ca 0.06 -2.97 -0.23 0.00 -0.26 0.00 0.00 57.72 54.33 2d8c n HIS 85 Cb 0.58 -2.41 0.00 0.00 1.12 0.00 0.00 29.99 29.28 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 2.78 3.15 -1.72 -0.41 -1.94 -1.26 -4.35 119.30 115.56 2d8c s MET 86 Ca 0.47 -0.53 -0.18 0.00 -1.71 0.00 0.00 55.69 53.75 2d8c s MET 86 Cb 0.06 -2.61 0.16 0.00 2.01 0.00 0.00 34.83 34.45 2d8c s MET 86 CO 0.00 -0.15 0.70 0.39 -0.01 0.00 0.00 175.02 175.95 2d8c n GLU 87 N -1.96 -2.60 -4.60 2.03 4.71 -1.26 -4.93 120.64 112.02 2d8c n GLU 87 Ca -0.00 0.32 -0.27 0.00 -0.01 0.00 0.00 57.16 57.19 2d8c n GLU 87 Cb 0.57 -4.93 -0.11 0.00 -1.01 0.00 0.00 31.44 25.97 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2d8c s ALA 88 N -3.37 3.08 -0.25 0.62 0.00 -1.26 -5.07 121.76 115.52 2d8c s ALA 88 Ca 0.68 -2.21 -0.38 0.00 0.00 0.00 0.00 51.96 50.05 2d8c s ALA 88 Cb -0.38 0.24 -0.14 0.00 0.00 0.00 0.00 23.12 22.84 2d8c s ALA 88 CO 0.95 -0.14 1.85 -2.39 0.00 0.00 0.00 175.76 176.03 2d8c n HIS 89 N -0.94 2.06 -3.89 0.00 1.44 -1.26 -4.95 115.22 107.68 2d8c n HIS 89 Ca -0.05 0.36 -0.20 0.00 -2.01 0.00 0.00 57.72 55.82 2d8c n HIS 89 Cb 0.67 -2.52 -0.17 0.00 0.12 0.00 0.00 29.99 28.09 2d8c n HIS 89 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2d8c s LYS 90 N 4.13 0.45 -0.60 -1.40 2.20 -1.26 -5.09 119.74 118.17 2d8c s LYS 90 Ca 0.99 0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 56.42 2d8c s LYS 90 Cb -0.95 -0.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 2d8c s LYS 90 CO 0.60 -0.20 2.03 0.54 -0.36 0.00 0.00 175.35 177.96 2d8c s ASN 91 N 1.42 5.00 -0.11 1.43 4.22 -1.26 -4.90 114.94 120.74 2d8c s ASN 91 Ca -0.04 0.48 -0.36 0.00 -2.14 0.00 0.00 52.86 50.80 2d8c s ASN 91 Cb -0.13 -2.52 -0.13 0.00 1.28 0.00 0.00 41.25 39.74 2d8c s ASN 91 CO -0.03 -2.57 1.80 -0.24 -2.04 0.00 0.00 177.10 174.02 2d8c n SER 92 N 13.83 3.07 -2.66 3.54 2.88 -1.26 -4.84 113.62 128.18 2d8c n SER 92 Ca 0.26 1.01 -0.04 0.00 -1.33 0.00 0.00 58.87 58.78 2d8c n SER 92 Cb 0.52 -1.31 0.09 0.00 -0.75 0.00 0.00 64.21 62.76 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 4.19 -1.76 0.21 0.46 0.00 -1.26 -5.01 105.19 102.02 2d8c n GLY 93 Ca 0.23 1.00 0.15 0.00 0.00 0.00 0.00 46.02 47.40 2d8c n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8c h PRO 94 N 2.79 0.00 -6.20 1.61 0.13 -2.04 -3.44 132.00 124.86 2d8c h PRO 94 Ca -0.27 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.37 2d8c h PRO 94 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2d8c h PRO 94 CO -0.15 0.00 -0.43 -1.12 -0.23 0.00 0.00 178.00 176.06 2d8c s SER 95 N -4.97 5.26 0.32 1.44 0.01 -1.26 -5.14 113.70 109.36 2d8c s SER 95 Ca 0.02 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 2d8c s SER 95 Cb 0.09 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2d8c s SER 95 CO 0.46 -0.41 0.47 -0.94 0.41 0.00 0.00 173.24 173.24 2d8c s SER 96 N -4.02 0.61 0.00 2.44 1.04 -1.26 -5.21 113.70 107.29 2d8c s SER 96 Ca 0.42 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2d8c s SER 96 Cb -0.05 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2d8c s SER 96 CO 0.27 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.84