#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 -0.21 0.57 1.61 1.04 -1.26 -5.14 113.70 110.30 2d8c s SER 2 Ca 0.00 0.70 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 2d8c s SER 2 Cb 0.00 0.68 -0.14 0.00 0.10 0.00 0.00 66.02 66.66 2d8c s SER 2 CO 0.00 -0.20 -0.06 -1.20 0.98 0.00 0.00 173.24 172.77 2d8c n SER 3 N 4.60 -3.36 0.00 7.02 7.64 -1.26 -4.66 113.62 123.60 2d8c n SER 3 Ca -0.19 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2d8c n SER 3 Cb 0.53 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 2d8c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8c n GLY 4 N 2.44 -0.18 3.14 0.23 0.00 -1.26 -4.90 105.19 104.67 2d8c n GLY 4 Ca 0.08 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 2d8c n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8c n SER 5 N 0.00 -4.64 -4.12 1.61 7.64 -1.26 -2.71 113.62 110.14 2d8c n SER 5 Ca 0.00 -0.45 -0.36 0.00 1.01 0.00 0.00 58.87 59.07 2d8c n SER 5 Cb 0.00 -4.19 -0.07 0.00 -1.01 0.00 0.00 64.21 58.93 2d8c n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d8c n SER 6 N -2.31 -1.27 -1.51 6.43 3.41 -1.26 -4.33 113.62 112.79 2d8c n SER 6 Ca -0.06 -1.08 0.14 0.00 -0.26 0.00 0.00 58.87 57.62 2d8c n SER 6 Cb 0.57 -1.38 -0.08 0.00 -0.26 0.00 0.00 64.21 63.07 2d8c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8c n GLY 7 N -1.16 -3.55 3.64 5.00 0.00 -1.10 -4.63 105.19 103.39 2d8c n GLY 7 Ca 0.05 -0.98 -0.59 0.00 0.00 0.00 0.00 46.02 44.49 2d8c n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d8c n MET 8 N -4.05 0.75 -0.12 1.61 2.81 -1.26 -4.85 117.12 112.00 2d8c n MET 8 Ca -0.08 0.26 -0.26 0.00 -1.81 0.00 0.00 57.70 55.81 2d8c n MET 8 Cb 0.66 -1.94 -0.11 0.00 -0.71 0.00 0.00 33.22 31.12 2d8c n MET 8 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2d8c n LEU 9 N 5.82 1.93 -3.94 4.03 4.77 -1.26 -5.09 117.00 123.25 2d8c n LEU 9 Ca 0.32 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 2d8c n LEU 9 Cb 0.08 -0.89 0.02 0.00 -2.33 0.00 0.00 43.42 40.30 2d8c n LEU 9 CO 0.83 0.46 0.97 -0.55 -1.33 0.00 0.00 177.39 177.77 2d8c s SER 10 N -7.22 0.01 0.10 -1.43 0.15 -1.26 -5.18 113.70 98.86 2d8c s SER 10 Ca -0.35 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 55.91 2d8c s SER 10 Cb 0.11 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2d8c s SER 10 CO 0.54 -0.61 -0.09 0.00 1.20 0.00 0.00 173.24 174.27 2d8c s ALA 11 N -2.07 1.07 0.05 5.45 0.00 -1.26 -5.16 121.76 119.83 2d8c s ALA 11 Ca 0.26 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2d8c s ALA 11 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2d8c s ALA 11 CO 0.02 -0.09 -0.13 0.50 0.00 0.00 0.00 175.76 176.07 2d8c s ARG 12 N -3.01 0.79 0.15 0.00 6.06 -1.26 -5.11 118.95 116.58 2d8c s ARG 12 Ca 0.07 -0.80 -0.27 0.00 -2.50 0.00 0.00 55.73 52.23 2d8c s ARG 12 Cb -0.01 -0.76 -0.16 0.00 0.06 0.00 0.00 34.95 34.08 2d8c s ARG 12 CO -0.01 0.18 0.54 -2.37 -2.50 0.00 0.00 175.30 171.14 2d8c n THR 13 N 1.65 1.54 -1.66 4.11 5.66 -1.26 -4.88 114.28 119.44 2d8c n THR 13 Ca -0.20 -0.38 -0.05 0.00 -3.05 0.00 0.00 64.05 60.37 2d8c n THR 13 Cb 0.55 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.48 2d8c n THR 13 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2d8c n MET 14 N 0.96 2.16 -0.00 1.09 0.00 -1.26 -4.71 117.12 115.36 2d8c n MET 14 Ca 0.16 -3.49 -0.18 0.00 0.00 0.00 0.00 57.70 54.19 2d8c n MET 14 Cb 0.20 -1.84 -0.08 0.00 0.00 0.00 0.00 33.22 31.50 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 1.31 0.77 0.00 0.03 3.64 -1.89 -3.38 116.57 117.05 2d8c h LYS 15 Ca 0.16 -0.69 -0.15 0.00 -1.27 0.00 0.00 60.65 58.69 2d8c h LYS 15 Cb 1.27 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 2d8c h LYS 15 CO 0.31 1.29 -1.01 -0.85 -2.27 0.00 0.00 179.45 176.92 2d8c n GLU 16 N -3.91 0.52 -1.78 1.90 0.28 -1.26 -2.10 120.64 114.30 2d8c n GLU 16 Ca -0.09 0.55 -0.01 0.00 -0.16 0.00 0.00 57.16 57.45 2d8c n GLU 16 Cb 0.80 -1.72 -0.00 0.00 1.43 0.00 0.00 31.44 31.94 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 -4.50 -0.03 -0.01 3.84 3.14 -1.26 -4.58 118.33 114.93 2d8c n VAL 17 Ca -0.23 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.13 2d8c n VAL 17 Cb 0.53 -0.15 -0.01 0.00 -1.06 0.00 0.00 33.84 33.15 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 -1.85 0.17 1.40 1.55 0.24 -1.26 -2.57 118.33 116.01 2d8c n VAL 18 Ca -0.01 -0.07 0.09 0.00 -2.04 0.00 0.00 64.34 62.31 2d8c n VAL 18 Cb 0.28 -0.63 0.37 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.54 0.18 -0.36 6.34 4.01 -1.26 -1.55 117.16 121.97 2d8c n TYR 19 Ca -0.05 -0.09 -0.19 0.00 -0.16 0.00 0.00 57.90 57.41 2d8c n TYR 19 Cb 0.56 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.05 -2.84 -4.00 -0.72 7.02 -1.26 -4.94 117.44 110.75 2d8c n TRP 20 Ca 0.14 -0.30 -0.23 0.00 -1.02 0.00 0.00 57.50 56.09 2d8c n TRP 20 Cb 0.25 -1.19 -0.06 0.00 -2.42 0.00 0.00 31.31 27.89 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 -2.34 4.74 0.20 -0.99 0.01 -1.26 -4.43 113.70 109.62 2d8c s SER 21 Ca 0.41 -0.81 0.21 0.00 1.31 0.00 0.00 55.95 57.08 2d8c s SER 21 Cb -0.07 -0.68 0.90 0.00 0.21 0.00 0.00 66.02 66.38 2d8c s SER 21 CO 0.35 -0.41 1.65 -0.81 0.41 0.00 0.00 173.24 174.43 2d8c n PRO 22 N -1.25 0.15 -0.03 12.44 -0.04 -1.26 -2.27 135.00 142.74 2d8c n PRO 22 Ca -0.02 0.39 -0.02 0.00 -0.04 0.00 0.00 63.50 63.82 2d8c n PRO 22 Cb 0.62 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.08 0.66 -0.04 0.54 4.76 -1.26 -4.45 118.16 116.29 2d8c n LYS 23 Ca 0.02 0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 2d8c n LYS 23 Cb 0.21 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.68 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 -0.04 -1.59 1.97 1.63 -1.85 -3.26 116.57 113.43 2d8c h LYS 24 Ca -0.28 0.00 0.50 0.00 -0.85 0.00 0.00 60.65 60.02 2d8c h LYS 24 Cb 1.72 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 33.25 2d8c h LYS 24 CO 0.03 0.65 1.09 0.28 -3.45 0.00 0.00 179.45 178.06 2d8c n VAL 25 N -4.72 -0.13 0.16 2.00 0.31 -0.96 -0.27 118.33 114.72 2d8c n VAL 25 Ca -0.08 1.59 -0.07 0.00 -0.01 0.00 0.00 64.34 65.77 2d8c n VAL 25 Cb 0.34 -2.62 -0.04 0.00 -0.91 0.00 0.00 33.84 30.62 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 1.26 -0.49 -1.46 3.52 0.00 -1.78 -3.16 119.26 117.16 2d8c h ALA 26 Ca 0.87 -0.11 0.47 0.00 0.00 0.00 0.00 54.91 56.14 2d8c h ALA 26 Cb 3.15 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 21.01 2d8c h ALA 26 CO -0.24 -0.45 0.97 -0.44 0.00 0.00 0.00 179.25 179.09 2d8c h ASP 27 N -1.11 0.18 -0.54 0.00 3.32 -0.67 1.37 116.42 118.96 2d8c h ASP 27 Ca -0.05 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 2d8c h ASP 27 Cb 0.37 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2d8c h ASP 27 CO 0.08 -0.15 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.07 2d8c h TRP 28 N 0.05 1.17 0.86 4.55 7.01 -1.44 -1.85 115.95 126.29 2d8c h TRP 28 Ca 0.84 -0.25 -0.04 0.00 2.11 0.00 0.00 58.89 61.55 2d8c h TRP 28 Cb 2.85 -0.28 0.01 0.00 -2.10 0.00 0.00 29.16 29.63 2d8c h TRP 28 CO -0.00 1.09 -0.41 -0.07 -2.79 0.00 0.00 178.44 176.25 2d8c h LEU 29 N 0.91 -0.97 -1.81 0.65 3.38 0.19 -2.82 115.31 114.84 2d8c h LEU 29 Ca 0.14 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.27 2d8c h LEU 29 Cb 0.71 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2d8c h LEU 29 CO 0.05 -0.67 0.39 -0.07 0.09 0.00 0.00 178.44 178.23 2d8c h LEU 30 N -1.20 0.19 -2.67 1.67 -0.00 -1.54 0.20 115.31 111.96 2d8c h LEU 30 Ca -0.12 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2d8c h LEU 30 Cb 0.88 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2d8c h LEU 30 CO 0.19 0.11 0.10 -0.08 -0.00 0.00 0.00 178.44 178.76 2d8c h GLU 31 N 0.21 0.00 0.00 1.13 4.57 -1.07 -0.11 114.58 119.31 2d8c h GLU 31 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2d8c h GLU 31 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2d8c h GLU 31 CO -0.05 0.00 -0.04 0.09 -1.18 0.00 0.00 179.01 177.83 2d8c n ASN 32 N -3.12 1.98 -2.53 1.04 3.02 0.52 -4.99 115.26 111.19 2d8c n ASN 32 Ca -0.02 -2.65 -0.11 0.00 -0.03 0.00 0.00 54.58 51.77 2d8c n ASN 32 Cb 0.16 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.03 -1.29 -2.47 5.41 0.00 -0.05 -4.98 120.51 116.10 2d8c n ALA 33 Ca 0.10 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 2d8c n ALA 33 Cb 0.54 -1.79 0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.95 2.75 0.00 0.00 2.81 -0.12 -4.83 117.12 114.77 2d8c n MET 34 Ca -0.18 -4.04 0.07 0.00 -1.81 0.00 0.00 57.70 51.74 2d8c n MET 34 Cb 0.61 -1.95 0.39 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.26 0.14 0.03 -0.04 -1.26 -2.31 135.00 131.38 2d8c n PRO 35 Ca 0.30 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 2d8c n PRO 35 Cb 0.77 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.96 -3.24 114.58 114.03 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 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2d8c h GLU 36 CO 0.00 0.32 -0.76 0.66 0.07 0.00 0.00 179.01 179.30 2d8c n TYR 37 N -3.11 0.04 -0.37 2.06 4.01 -0.98 -4.19 117.16 114.64 2d8c n TYR 37 Ca 0.01 0.01 -0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2d8c n TYR 37 Cb 0.69 -0.19 0.14 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.28 -1.15 0.00 0.00 4.39 -1.76 1.71 114.58 119.05 2d8c h GLU 39 Ca 0.39 0.08 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 2d8c h GLU 39 Cb -0.03 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2d8c h GLU 39 CO -0.11 -0.76 -0.10 -1.00 -1.16 0.00 0.00 179.01 175.88 2d8c h PRO 40 N -1.19 0.00 -0.42 2.33 0.13 -1.77 -2.58 132.00 128.50 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 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2d8c h PRO 40 CO 0.09 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.24 2d8c n LEU 41 N -3.26 3.29 -0.29 1.56 4.77 0.15 -4.54 117.00 118.69 2d8c n LEU 41 Ca 0.00 -1.69 0.08 0.00 -0.03 0.00 0.00 56.01 54.37 2d8c n LEU 41 Cb 0.34 -0.28 0.23 0.00 -2.33 0.00 0.00 43.42 41.38 2d8c n LEU 41 CO 0.30 0.76 1.06 1.05 -1.33 0.00 0.00 177.39 179.23 2d8c h GLU 42 N 3.60 0.51 -0.48 3.23 4.11 0.30 -0.26 114.58 125.58 2d8c h GLU 42 Ca 0.00 -0.03 -0.23 0.00 0.07 0.00 0.00 59.36 59.17 2d8c h GLU 42 Cb 0.87 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.87 2d8c h GLU 42 CO 0.00 0.34 0.08 -2.39 0.07 0.00 0.00 179.01 177.11 2d8c n HIS 43 N -4.94 1.51 -3.72 2.06 1.44 -1.26 -4.68 115.22 105.63 2d8c n HIS 43 Ca 0.17 -1.57 -0.35 0.00 -2.01 0.00 0.00 57.72 53.96 2d8c n HIS 43 Cb 0.48 -0.57 -0.05 0.00 0.12 0.00 0.00 29.99 29.96 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 -4.97 117.98 112.31 2d8c s PHE 44 Ca 0.47 0.64 0.03 0.00 -0.60 0.00 0.00 56.93 57.47 2d8c s PHE 44 Cb 0.42 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2d8c s PHE 44 CO 0.03 0.62 -0.01 0.95 0.70 0.00 0.00 175.22 177.51 2d8c s THR 45 N -1.26 4.02 0.23 0.64 -4.23 -1.26 -4.23 115.64 109.56 2d8c s THR 45 Ca 0.26 -0.73 0.13 0.00 -1.18 0.00 0.00 61.69 60.17 2d8c s THR 45 Cb -0.14 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.12 2d8c s THR 45 CO 0.15 0.32 1.01 0.61 -0.54 0.00 0.00 174.62 176.16 2d8c n GLY 46 N 1.22 -0.51 0.09 3.99 0.00 -1.26 0.16 105.19 108.89 2d8c n GLY 46 Ca -0.14 0.53 -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 -0.12 -0.75 1.61 5.75 -1.01 -2.01 115.11 118.59 2d8c h GLN 47 Ca 0.53 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.99 2d8c h GLN 47 Cb 1.40 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.94 2d8c h GLN 47 CO -0.50 0.21 0.24 -0.44 -2.65 0.00 0.00 178.83 175.69 2d8c h ASP 48 N -0.46 1.08 -0.04 -0.69 3.32 0.13 -1.90 116.42 117.87 2d8c h ASP 48 Ca -0.01 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2d8c h ASP 48 Cb 0.38 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2d8c h ASP 48 CO 0.02 0.99 -0.05 0.25 -1.72 0.00 0.00 179.24 178.74 2d8c h LEU 49 N 1.10 -0.15 -1.93 1.55 6.46 -0.55 -1.49 115.31 120.30 2d8c h LEU 49 Ca 0.24 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 2d8c h LEU 49 Cb 0.29 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2d8c h LEU 49 CO -0.01 -0.07 -0.05 0.16 -0.62 0.00 0.00 178.44 177.85 2d8c h ILE 50 N -0.07 0.21 -0.03 4.05 3.07 -1.24 -1.71 117.51 121.79 2d8c h ILE 50 Ca 0.03 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 66.00 2d8c h ILE 50 Cb 0.12 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 2d8c h ILE 50 CO -0.08 0.05 0.00 0.59 -1.05 0.00 0.00 178.15 177.66 2d8c n ASN 51 N -3.27 0.18 -4.74 2.16 3.02 -0.57 -4.84 115.26 107.21 2d8c n ASN 51 Ca -0.01 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 2d8c n ASN 51 Cb 0.24 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.12 4.56 0.17 3.41 1.43 -0.65 -5.04 118.68 121.44 2d8c s LEU 52 Ca 0.08 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 2d8c s LEU 52 Cb 0.04 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2d8c s LEU 52 CO 0.06 0.00 -0.01 0.42 0.23 0.00 0.00 176.35 177.05 2d8c s THR 53 N -0.51 0.69 0.31 5.49 -4.23 -1.26 -5.02 115.64 111.11 2d8c s THR 53 Ca 0.45 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2d8c s THR 53 Cb -0.25 -2.08 0.30 0.00 1.34 0.00 0.00 72.50 71.81 2d8c s THR 53 CO 0.32 -0.51 1.77 -0.61 -0.54 0.00 0.00 174.62 175.04 2d8c h GLN 54 N 2.72 0.71 -0.09 3.99 4.15 -1.97 0.38 115.11 125.01 2d8c h GLN 54 Ca -0.37 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.99 2d8c h GLN 54 Cb 1.20 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 2d8c h GLN 54 CO 0.63 0.47 -0.04 1.05 -1.93 0.00 0.00 178.83 179.01 2d8c h GLU 55 N 0.73 0.12 0.00 1.69 4.11 -2.00 -0.59 114.58 118.64 2d8c h GLU 55 Ca 0.59 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 60.00 2d8c h GLU 55 Cb 0.95 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2d8c h GLU 55 CO -0.40 0.18 0.00 -0.44 0.07 0.00 0.00 179.01 178.42 2d8c h ASP 56 N 0.12 0.00 0.24 3.06 3.32 -0.57 -2.86 116.42 119.74 2d8c h ASP 56 Ca 0.03 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 2d8c h ASP 56 Cb 0.16 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.74 2d8c h ASP 56 CO 0.01 0.00 -1.61 -0.26 -1.72 0.00 0.00 179.24 175.65 2d8c h PHE 57 N 0.00 0.84 0.00 4.55 -1.00 -1.01 -3.27 116.94 117.05 2d8c h PHE 57 Ca 0.00 -0.61 0.00 0.00 2.81 0.00 0.00 57.97 60.17 2d8c h PHE 57 Cb 0.38 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2d8c h PHE 57 CO 0.00 1.61 0.12 0.87 -1.61 0.00 0.00 178.31 179.30 2d8c h LYS 58 N 0.13 0.00 -4.93 1.51 1.57 -1.43 -3.31 116.57 110.10 2d8c h LYS 58 Ca -0.30 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.17 2d8c h LYS 58 Cb 2.13 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.30 2d8c h LYS 58 CO 0.23 0.00 -0.68 -1.59 -0.57 0.00 0.00 179.45 176.83 2d8c s LYS 59 N -3.60 1.11 0.84 3.15 -2.85 -1.23 -5.00 119.74 112.16 2d8c s LYS 59 Ca -0.02 -1.51 -0.11 0.00 -1.00 0.00 0.00 55.97 53.32 2d8c s LYS 59 Cb 0.06 -0.46 0.10 0.00 -2.06 0.00 0.00 37.83 35.48 2d8c s LYS 59 CO 0.20 -0.04 1.09 -1.25 0.10 0.00 0.00 175.35 175.46 2d8c s PRO 60 N -3.84 1.69 0.14 1.78 0.04 -1.26 -3.56 135.00 129.99 2d8c s PRO 60 Ca 0.21 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2d8c s PRO 60 Cb 0.05 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2d8c s PRO 60 CO 0.03 -1.99 1.47 -1.00 0.04 0.00 0.00 177.00 175.56 2d8c h PRO 61 N -1.37 0.95 -5.70 0.56 0.13 -1.95 -3.48 132.00 121.14 2d8c h PRO 61 Ca -0.47 -0.50 -0.47 0.00 -0.87 0.00 0.00 66.00 63.69 2d8c h PRO 61 Cb 1.26 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.53 1.16 1.57 -0.51 -0.23 0.00 0.00 178.00 180.52 2d8c s LEU 62 N -8.88 3.38 -0.09 1.56 1.43 -1.23 -4.91 118.68 109.94 2d8c s LEU 62 Ca -0.11 0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 53.86 2d8c s LEU 62 Cb 0.11 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.86 2d8c s LEU 62 CO 0.88 -2.77 0.21 -0.47 0.23 0.00 0.00 176.35 174.44 2d8c s TYR 63 N 11.50 -0.27 -1.02 0.29 5.04 -1.25 -3.79 117.35 127.85 2d8c s TYR 63 Ca 0.91 0.68 -0.13 0.00 -2.44 0.00 0.00 57.07 56.09 2d8c s TYR 63 Cb -0.16 0.02 0.13 0.00 0.35 0.00 0.00 41.96 42.29 2d8c s TYR 63 CO 0.25 -0.20 0.32 2.89 -1.34 0.00 0.00 175.55 177.46 2d8c n ARG 64 N 4.08 -0.85 -0.22 4.97 1.85 -1.26 -4.71 116.66 120.52 2d8c n ARG 64 Ca -0.24 0.08 -0.08 0.00 -1.00 0.00 0.00 57.85 56.60 2d8c n ARG 64 Cb 0.53 -2.55 0.03 0.00 -1.05 0.00 0.00 32.46 29.42 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 -0.47 1.25 -3.00 8.89 2.07 -1.93 -3.45 116.25 119.62 2d8c h VAL 65 Ca -0.33 -0.92 -0.49 0.00 0.82 0.00 0.00 66.70 65.77 2d8c h VAL 65 Cb 0.76 0.65 -0.16 0.00 -1.52 0.00 0.00 31.29 31.02 2d8c h VAL 65 CO 0.49 0.35 -0.76 -0.55 0.02 0.00 0.00 177.57 177.12 2d8c s SER 66 N -6.33 2.71 0.00 0.57 0.15 -1.26 -5.01 113.70 104.53 2d8c s SER 66 Ca -0.12 -0.95 0.12 0.00 0.70 0.00 0.00 55.95 55.70 2d8c s SER 66 Cb 0.13 -0.16 0.64 0.00 -1.71 0.00 0.00 66.02 64.93 2d8c s SER 66 CO 0.83 -0.09 1.26 -0.24 1.20 0.00 0.00 173.24 176.20 2d8c n SER 67 N -0.10 0.00 -2.13 5.45 2.88 -1.26 -2.52 113.62 115.93 2d8c n SER 67 Ca -0.10 -0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.19 2d8c n SER 67 Cb 0.59 -0.21 0.13 0.00 -0.75 0.00 0.00 64.21 63.97 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 -1.21 4.80 -2.12 -3.46 8.00 -1.26 -4.87 116.55 116.42 2d8c n ASP 68 Ca 0.07 -3.49 -0.01 0.00 0.71 0.00 0.00 54.79 52.07 2d8c n ASP 68 Cb 0.08 -0.86 -0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 -0.87 -0.96 -0.91 -2.24 6.94 -1.05 0.18 115.26 116.36 2d8c n ASN 69 Ca 0.54 0.36 -0.04 0.00 -0.02 0.00 0.00 54.58 55.42 2d8c n ASN 69 Cb 1.27 -1.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.66 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 -0.39 0.64 0.09 4.83 0.00 -1.26 -4.98 105.19 104.12 2d8c n GLY 70 Ca -0.01 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 2d8c n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d8c n GLN 71 N -1.25 0.53 -0.32 1.61 -0.06 0.48 -3.37 117.38 114.99 2d8c n GLN 71 Ca -0.00 0.55 0.05 0.00 -2.00 0.00 0.00 57.00 55.59 2d8c n GLN 71 Cb 0.51 -1.72 0.12 0.00 -4.06 0.00 0.00 30.24 25.10 2d8c n GLN 71 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2d8c h ARG 72 N -1.00 0.00 0.71 3.69 2.43 -1.95 0.68 114.38 118.94 2d8c h ARG 72 Ca -0.24 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 2d8c h ARG 72 Cb 1.04 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2d8c h ARG 72 CO -0.14 0.00 -0.34 1.25 -1.51 0.00 0.00 179.97 179.23 2d8c h LEU 73 N 0.00 -0.81 -1.05 3.80 5.85 -1.95 -1.73 115.31 119.43 2d8c h LEU 73 Ca 0.44 0.02 0.40 0.00 0.84 0.00 0.00 57.88 59.58 2d8c h LEU 73 Cb 0.67 0.21 -0.17 0.00 0.37 0.00 0.00 40.66 41.75 2d8c h LEU 73 CO -0.93 -0.43 0.59 -0.07 -0.34 0.00 0.00 178.44 177.26 2d8c h LEU 74 N -1.25 0.36 -0.18 2.25 3.38 -1.30 1.04 115.31 119.61 2d8c h LEU 74 Ca -0.10 0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 2d8c h LEU 74 Cb 0.73 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.71 2d8c h LEU 74 CO 0.16 -0.33 -0.62 -0.78 0.09 0.00 0.00 178.44 176.96 2d8c h ASP 75 N 0.09 0.86 0.42 -0.43 3.58 -0.82 0.76 116.42 120.88 2d8c h ASP 75 Ca 0.82 -0.60 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 2d8c h ASP 75 Cb 2.15 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 2d8c h ASP 75 CO -0.69 1.31 -0.19 0.24 -2.88 0.00 0.00 179.24 177.03 2d8c h MET 76 N 0.46 0.00 0.14 0.28 2.86 0.19 -3.02 114.93 115.85 2d8c h MET 76 Ca -0.02 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.25 2d8c h MET 76 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2d8c h MET 76 CO 0.13 0.19 -1.93 0.82 1.06 0.00 0.00 176.91 177.19 2d8c h ILE 77 N 0.00 0.71 -0.96 -1.22 2.04 -0.55 -3.35 117.51 114.19 2d8c h ILE 77 Ca -0.00 -2.39 0.31 0.00 1.00 0.00 0.00 64.86 63.77 2d8c h ILE 77 Cb 0.46 2.58 -0.16 0.00 -0.74 0.00 0.00 36.82 38.96 2d8c h ILE 77 CO 0.03 0.89 0.38 -0.08 0.00 0.00 0.00 178.15 179.37 2d8c h GLU 78 N 0.08 0.18 0.00 2.37 4.81 -0.71 1.30 114.58 122.61 2d8c h GLU 78 Ca -0.40 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 2d8c h GLU 78 Cb 2.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 2d8c h GLU 78 CO 0.11 0.12 -0.55 0.00 -0.73 0.00 0.00 179.01 177.96 2d8c h THR 79 N 0.18 1.38 -0.25 0.32 1.03 -1.71 -2.80 112.91 111.07 2d8c h THR 79 Ca 0.68 -1.90 -0.06 0.00 -0.01 0.00 0.00 66.41 65.13 2d8c h THR 79 Cb 1.54 2.03 -0.01 0.00 -1.07 0.00 0.00 68.15 70.63 2d8c h THR 79 CO -0.70 0.54 -0.09 -0.07 -0.01 0.00 0.00 175.52 175.19 2d8c h LEU 80 N 0.00 0.37 0.09 0.00 3.38 0.15 -2.99 115.31 116.32 2d8c h LEU 80 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2d8c h LEU 80 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2d8c h LEU 80 CO 0.07 0.51 -0.04 0.11 0.09 0.00 0.00 178.44 179.18 2d8c h LYS 81 N 0.37 -0.11 -1.24 1.13 6.56 -1.22 -3.28 116.57 118.77 2d8c h LYS 81 Ca 0.08 0.01 0.40 0.00 -1.06 0.00 0.00 60.65 60.08 2d8c h LYS 81 Cb 0.40 0.03 -0.10 0.00 -0.57 0.00 0.00 32.23 31.98 2d8c h LYS 81 CO 0.02 -0.08 0.83 0.00 -2.06 0.00 0.00 179.45 178.17 2d8c n MET 82 N -3.58 -0.02 -0.10 3.15 0.00 -1.07 0.24 117.12 115.74 2d8c n MET 82 Ca -0.01 0.96 -0.10 0.00 0.00 0.00 0.00 57.70 58.54 2d8c n MET 82 Cb 0.05 -1.98 -0.03 0.00 0.00 0.00 0.00 33.22 31.25 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 0.47 -7.01 3.17 4.39 -1.60 -3.44 114.58 110.57 2d8c h GLU 83 Ca 0.72 -0.12 -0.47 0.00 0.34 0.00 0.00 59.36 59.83 2d8c h GLU 83 Cb 2.49 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 31.09 2d8c h GLU 83 CO -0.27 0.57 0.39 -1.58 -1.16 0.00 0.00 179.01 176.95 2d8c s HIS 84 N -5.24 3.21 -1.03 4.33 2.46 0.65 -4.86 115.29 114.82 2d8c s HIS 84 Ca -0.13 1.63 -0.26 0.00 0.47 0.00 0.00 55.06 56.76 2d8c s HIS 84 Cb 0.08 -3.05 -0.18 0.00 -0.13 0.00 0.00 32.58 29.30 2d8c s HIS 84 CO 0.74 -0.56 2.15 -1.01 -2.47 0.00 0.00 174.74 173.59 2d8c s HIS 85 N -1.83 1.32 -0.05 3.88 3.76 -1.26 -4.85 115.29 116.25 2d8c s HIS 85 Ca 0.61 1.94 0.02 0.00 -0.15 0.00 0.00 55.06 57.48 2d8c s HIS 85 Cb -0.18 -3.46 0.01 0.00 1.11 0.00 0.00 32.58 30.06 2d8c s HIS 85 CO 0.23 -0.97 -0.09 -1.64 -0.85 0.00 0.00 174.74 171.42 2d8c s MET 86 N 8.23 1.30 -0.46 1.40 -1.94 -1.26 -5.09 119.30 121.47 2d8c s MET 86 Ca 0.82 -0.31 0.03 0.00 -1.71 0.00 0.00 55.69 54.52 2d8c s MET 86 Cb -0.06 -1.14 0.15 0.00 2.01 0.00 0.00 34.83 35.79 2d8c s MET 86 CO 0.15 0.02 0.29 -1.83 -0.01 0.00 0.00 175.02 173.64 2d8c s GLU 87 N 0.63 1.32 -0.29 2.03 1.03 -1.26 -4.93 118.70 117.22 2d8c s GLU 87 Ca -0.11 -2.16 0.00 0.00 0.03 0.00 0.00 54.97 52.73 2d8c s GLU 87 Cb -0.14 -2.22 0.09 0.00 -0.80 0.00 0.00 34.13 31.06 2d8c s GLU 87 CO 0.02 -1.23 0.05 0.00 -1.33 0.00 0.00 175.26 172.77 2d8c s ALA 88 N 0.10 1.89 0.01 -0.84 0.00 -1.26 -5.11 121.76 116.55 2d8c s ALA 88 Ca 0.22 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.39 2d8c s ALA 88 Cb -0.16 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 2d8c s ALA 88 CO -0.06 -1.53 0.13 -1.01 0.00 0.00 0.00 175.76 173.30 2d8c s HIS 89 N 1.43 0.07 -0.30 0.00 3.76 -1.26 -5.15 115.29 113.84 2d8c s HIS 89 Ca 0.06 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2d8c s HIS 89 Cb -0.18 -0.06 0.14 0.00 1.11 0.00 0.00 32.58 33.59 2d8c s HIS 89 CO -0.16 -0.31 0.75 0.21 -0.85 0.00 0.00 174.74 174.38 2d8c s LYS 90 N -1.69 0.49 -0.86 1.40 2.36 -1.26 -5.10 119.74 115.08 2d8c s LYS 90 Ca -0.12 1.23 -0.25 0.00 -2.55 0.00 0.00 55.97 54.28 2d8c s LYS 90 Cb -0.06 0.74 -0.00 0.00 -1.05 0.00 0.00 37.83 37.46 2d8c s LYS 90 CO 0.00 -0.18 1.69 -0.80 1.55 0.00 0.00 175.35 177.61 2d8c s ASN 91 N 2.77 5.72 -0.29 1.43 -0.87 -1.26 -4.88 114.94 117.56 2d8c s ASN 91 Ca -0.05 -0.69 -0.14 0.00 -1.57 0.00 0.00 52.86 50.42 2d8c s ASN 91 Cb -0.10 -2.56 0.11 0.00 -0.02 0.00 0.00 41.25 38.68 2d8c s ASN 91 CO -0.19 -2.18 0.74 -0.55 -2.57 0.00 0.00 177.10 172.36 2d8c s SER 92 N 6.51 -0.92 0.00 -1.22 0.15 -1.26 -5.11 113.70 111.85 2d8c s SER 92 Ca 0.57 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2d8c s SER 92 Cb -0.06 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 2d8c s SER 92 CO 0.03 -0.21 0.08 0.61 1.20 0.00 0.00 173.24 174.95 2d8c n GLY 93 N 4.62 -1.58 3.77 9.45 0.00 -1.26 -4.73 105.19 115.45 2d8c n GLY 93 Ca -0.17 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.16 2.70 -0.40 1.61 0.04 -1.26 -4.90 135.00 132.63 2d8c s PRO 94 Ca 0.00 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 2d8c s PRO 94 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2d8c s PRO 94 CO 0.00 -1.32 2.21 0.45 0.04 0.00 0.00 177.00 178.38 2d8c s SER 95 N -2.73 5.03 0.02 6.66 0.15 -1.26 -4.95 113.70 116.61 2d8c s SER 95 Ca 0.66 1.27 0.02 0.00 0.70 0.00 0.00 55.95 58.60 2d8c s SER 95 Cb -0.20 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2d8c s SER 95 CO 0.44 -2.39 0.01 -0.55 1.20 0.00 0.00 173.24 171.95 2d8c s SER 96 N 9.74 5.18 0.00 5.45 0.15 -1.26 -5.23 113.70 127.73 2d8c s SER 96 Ca 0.93 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2d8c s SER 96 Cb -0.22 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2d8c s SER 96 CO 0.29 0.26 0.06 0.61 1.20 0.00 0.00 173.24 175.66