#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5c h PRO 4 N 0.00 0.21 0.00 -2.82 0.11 -2.00 -2.09 132.00 125.41 2f5c h PRO 4 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2f5c h PRO 4 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2f5c h PRO 4 CO 0.00 0.35 0.00 0.77 -0.21 0.00 0.00 178.00 178.91 2f5c h SER 5 N 0.03 0.00 0.36 -2.05 0.02 -2.02 -2.47 113.55 107.42 2f5c h SER 5 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2f5c h SER 5 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2f5c h SER 5 CO -0.00 0.00 -0.17 -0.03 -1.14 0.00 0.00 176.83 175.49 2f5c h MET 6 N 0.00 -0.46 -0.82 3.45 -1.53 -1.87 -1.95 114.93 111.75 2f5c h MET 6 Ca 0.00 0.03 0.19 0.00 -3.44 0.00 0.00 59.70 56.48 2f5c h MET 6 Cb 0.51 0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.61 2f5c h MET 6 CO 0.00 -0.16 0.55 0.93 0.14 0.00 0.00 176.91 178.37 2f5c h GLU 7 N -0.76 0.33 -0.30 0.39 5.08 -1.07 1.00 114.58 119.26 2f5c h GLU 7 Ca -0.05 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2f5c h GLU 7 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2f5c h GLU 7 CO 0.08 0.22 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.83 2f5c h ASP 8 N 0.34 0.56 0.15 1.42 3.45 -1.25 -1.22 116.42 119.88 2f5c h ASP 8 Ca 0.42 -0.34 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 2f5c h ASP 8 Cb 1.10 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 2f5c h ASP 8 CO -0.13 0.77 -0.07 1.88 -1.57 0.00 0.00 179.24 180.12 2f5c h TYR 9 N 0.34 -0.19 -0.31 4.55 -1.99 -0.09 0.84 116.97 120.12 2f5c h TYR 9 Ca 0.08 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.82 2f5c h TYR 9 Cb 0.51 0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 2f5c h TYR 9 CO 0.05 0.01 0.16 0.82 -0.00 0.00 0.00 178.16 179.20 2f5c h ILE 10 N -0.36 1.00 -0.69 -2.88 2.04 -1.08 0.41 117.51 115.95 2f5c h ILE 10 Ca -0.02 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2f5c h ILE 10 Cb 0.29 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2f5c h ILE 10 CO 0.03 0.06 0.42 -0.08 0.00 0.00 0.00 178.15 178.59 2f5c h GLU 11 N 0.33 0.94 -0.34 2.37 4.81 -1.17 -1.13 114.58 120.39 2f5c h GLU 11 Ca 0.13 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2f5c h GLU 11 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2f5c h GLU 11 CO -0.08 0.66 -0.24 0.37 -0.73 0.00 0.00 179.01 179.00 2f5c h GLN 12 N 0.94 0.77 -0.47 1.92 5.75 -0.16 -2.22 115.11 121.65 2f5c h GLN 12 Ca 0.25 -0.37 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 2f5c h GLN 12 Cb -0.04 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2f5c h GLN 12 CO -0.05 0.99 0.04 0.82 -2.65 0.00 0.00 178.83 177.98 2f5c h ILE 13 N 0.55 1.23 0.10 2.39 2.04 -0.02 0.20 117.51 123.99 2f5c h ILE 13 Ca 0.07 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2f5c h ILE 13 Cb 0.80 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2f5c h ILE 13 CO 0.06 0.32 -0.05 0.22 0.00 0.00 0.00 178.15 178.71 2f5c h TYR 14 N 0.71 -0.12 -0.67 1.37 3.20 -1.05 -0.62 116.97 119.78 2f5c h TYR 14 Ca 0.15 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2f5c h TYR 14 Cb 0.38 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2f5c h TYR 14 CO 0.02 -0.08 0.22 0.52 -1.64 0.00 0.00 178.16 177.20 2f5c h MET 15 N -0.13 1.02 -0.43 1.82 2.86 -1.01 -1.64 114.93 117.41 2f5c h MET 15 Ca -0.01 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2f5c h MET 15 Cb 0.10 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2f5c h MET 15 CO 0.02 0.87 0.15 -0.07 1.06 0.00 0.00 176.91 178.94 2f5c h LEU 16 N 0.99 0.62 -0.01 1.22 3.38 -0.59 -1.15 115.31 119.77 2f5c h LEU 16 Ca 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2f5c h LEU 16 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2f5c h LEU 16 CO -0.01 0.65 0.00 0.40 0.09 0.00 0.00 178.44 179.57 2f5c h ILE 17 N 0.56 1.10 -0.34 1.22 1.08 -0.99 -0.92 117.51 119.21 2f5c h ILE 17 Ca 0.14 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 2f5c h ILE 17 Cb 0.24 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 2f5c h ILE 17 CO -0.01 0.08 0.05 -0.08 -0.69 0.00 0.00 178.15 177.50 2f5c h GLU 18 N -0.11 0.16 0.00 2.37 4.81 -1.15 0.66 114.58 121.31 2f5c h GLU 18 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2f5c h GLU 18 Cb 0.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2f5c h GLU 18 CO -0.00 0.11 -0.52 1.05 -0.73 0.00 0.00 179.01 178.92 2f5c h GLU 19 N 0.17 0.00 0.00 1.92 4.11 -1.22 -3.38 114.58 116.18 2f5c h GLU 19 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 2f5c h GLU 19 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2f5c h GLU 19 CO -0.23 0.00 -0.63 1.63 0.07 0.00 0.00 179.01 179.85 2f5c n LYS 20 N -2.86 2.78 0.00 1.06 5.02 -0.35 -5.01 118.16 118.79 2f5c n LYS 20 Ca 0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2f5c n LYS 20 Cb 0.54 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 2f5c n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f5c n GLY 21 N 1.85 1.80 3.72 0.72 0.00 0.23 -4.82 105.19 108.69 2f5c n GLY 21 Ca -0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2f5c n GLY 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2f5c s TYR 22 N 0.00 3.38 -0.00 1.61 5.04 -1.26 -4.74 117.35 121.38 2f5c s TYR 22 Ca 0.00 0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2f5c s TYR 22 Cb 0.00 -2.14 -0.00 0.00 0.35 0.00 0.00 41.96 40.16 2f5c s TYR 22 CO 0.00 0.27 0.04 0.00 -1.34 0.00 0.00 175.55 174.53 2f5c s ALA 23 N 0.34 -0.09 0.29 3.97 0.00 -1.26 -4.90 121.76 120.12 2f5c s ALA 23 Ca 0.07 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2f5c s ALA 23 Cb -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2f5c s ALA 23 CO -0.02 -0.10 0.08 0.54 0.00 0.00 0.00 175.76 176.27 2f5c n ARG 24 N 2.32 0.78 -0.03 0.00 1.74 -1.26 -1.08 116.66 119.14 2f5c n ARG 24 Ca -0.18 -2.39 0.02 0.00 -0.77 0.00 0.00 57.85 54.53 2f5c n ARG 24 Cb 0.57 1.17 0.35 0.00 -1.02 0.00 0.00 32.46 33.53 2f5c n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2f5c h VAL 25 N 1.41 1.15 -0.22 1.55 2.07 -1.99 -2.43 116.25 117.80 2f5c h VAL 25 Ca -0.23 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 2f5c h VAL 25 Cb 0.84 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2f5c h VAL 25 CO 0.37 0.18 -0.24 0.28 0.02 0.00 0.00 177.57 178.18 2f5c h SER 26 N 0.59 0.41 -0.30 0.57 0.02 -1.96 -1.90 113.55 110.98 2f5c h SER 26 Ca 0.15 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2f5c h SER 26 Cb 0.09 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2f5c h SER 26 CO -0.02 0.65 -0.18 0.44 -1.14 0.00 0.00 176.83 176.58 2f5c h ASP 27 N 0.37 0.76 0.04 3.07 3.32 -1.83 -1.89 116.42 120.25 2f5c h ASP 27 Ca 0.06 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2f5c h ASP 27 Cb 0.62 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2f5c h ASP 27 CO 0.04 0.94 -0.02 0.40 -1.72 0.00 0.00 179.24 178.89 2f5c h ILE 28 N 0.67 1.26 -0.04 0.35 2.04 -1.33 -0.99 117.51 119.47 2f5c h ILE 28 Ca 0.10 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 64.99 2f5c h ILE 28 Cb 0.67 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 2f5c h ILE 28 CO 0.05 0.25 -0.50 0.00 0.00 0.00 0.00 178.15 177.95 2f5c h ALA 29 N 0.44 -0.84 -0.26 1.87 0.00 -1.34 0.51 119.26 119.64 2f5c h ALA 29 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2f5c h ALA 29 Cb 0.45 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2f5c h ALA 29 CO 0.01 -1.05 -0.05 1.49 0.00 0.00 0.00 179.25 179.65 2f5c h GLU 30 N -0.62 0.02 -0.64 0.00 4.81 -1.39 0.90 114.58 117.66 2f5c h GLU 30 Ca 0.03 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2f5c h GLU 30 Cb 0.69 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2f5c h GLU 30 CO -0.37 0.02 0.42 0.00 -0.73 0.00 0.00 179.01 178.35 2f5c h ALA 31 N 1.25 0.82 -0.06 2.92 0.00 -0.48 -2.68 119.26 121.03 2f5c h ALA 31 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2f5c h ALA 31 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2f5c h ALA 31 CO -0.25 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2f5c n LEU 32 N -4.63 1.95 -3.54 0.00 4.77 0.17 -4.95 117.00 110.78 2f5c n LEU 32 Ca 0.05 -0.69 -0.26 0.00 -0.03 0.00 0.00 56.01 55.09 2f5c n LEU 32 Cb 0.02 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2f5c n LEU 32 CO 0.36 0.34 0.07 0.00 -1.33 0.00 0.00 177.39 176.83 2f5c n ALA 33 N 0.52 -1.16 -2.58 -1.18 0.00 0.30 -4.97 120.51 111.43 2f5c n ALA 33 Ca 0.18 0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 2f5c n ALA 33 Cb 0.42 -4.16 -0.08 0.00 0.00 0.00 0.00 19.45 15.63 2f5c n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2f5c s VAL 34 N -3.19 3.08 0.18 0.00 1.01 -0.53 -5.02 120.40 115.93 2f5c s VAL 34 Ca 0.51 -2.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 2f5c s VAL 34 Cb -0.25 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 2f5c s VAL 34 CO 0.63 -0.35 1.35 -2.28 0.00 0.00 0.00 175.10 174.46 2f5c s HIS 35 N -2.40 3.22 0.43 5.22 5.65 -1.26 -4.56 115.29 121.59 2f5c s HIS 35 Ca 0.32 1.12 0.09 0.00 0.25 0.00 0.00 55.06 56.84 2f5c s HIS 35 Cb -0.05 -3.65 0.93 0.00 -1.18 0.00 0.00 32.58 28.63 2f5c s HIS 35 CO 0.19 -2.13 2.07 -1.00 -0.65 0.00 0.00 174.74 173.22 2f5c h PRO 36 N 5.73 0.45 -0.68 2.88 0.13 -1.93 -1.50 132.00 137.08 2f5c h PRO 36 Ca -0.44 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2f5c h PRO 36 Cb 1.21 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2f5c h PRO 36 CO 0.80 0.30 0.27 1.03 -0.23 0.00 0.00 178.00 180.17 2f5c h SER 37 N 0.46 0.91 -0.09 1.44 0.87 -1.97 0.98 113.55 116.15 2f5c h SER 37 Ca 0.14 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2f5c h SER 37 Cb -0.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2f5c h SER 37 CO -0.03 0.81 -0.33 0.28 -0.53 0.00 0.00 176.83 177.04 2f5c h SER 38 N 0.98 0.60 -0.29 6.23 0.02 -1.69 -2.60 113.55 116.80 2f5c h SER 38 Ca 0.23 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2f5c h SER 38 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2f5c h SER 38 CO -0.02 0.89 0.10 0.58 -1.14 0.00 0.00 176.83 177.24 2f5c h VAL 39 N 0.49 1.19 -0.22 2.27 2.07 -0.48 -2.03 116.25 119.53 2f5c h VAL 39 Ca 0.06 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.03 2f5c h VAL 39 Cb 0.81 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2f5c h VAL 39 CO 0.07 0.20 -0.09 0.74 0.02 0.00 0.00 177.57 178.51 2f5c h THR 40 N 0.31 0.69 -0.79 2.57 2.02 -0.72 0.18 112.91 117.16 2f5c h THR 40 Ca 0.09 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 2f5c h THR 40 Cb 0.21 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2f5c h THR 40 CO -0.01 0.00 0.48 0.50 0.37 0.00 0.00 175.52 176.87 2f5c h LYS 41 N -0.06 0.86 -0.30 6.66 3.64 -1.34 -0.54 116.57 125.49 2f5c h LYS 41 Ca 0.12 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2f5c h LYS 41 Cb 0.23 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2f5c h LYS 41 CO -0.26 0.57 0.00 0.52 -2.27 0.00 0.00 179.45 178.01 2f5c h MET 42 N 0.88 0.53 -0.94 1.90 2.86 -0.58 -2.52 114.93 117.06 2f5c h MET 42 Ca 0.35 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.85 2f5c h MET 42 Cb 0.16 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 2f5c h MET 42 CO -0.17 0.67 0.62 0.28 1.06 0.00 0.00 176.91 179.37 2f5c h VAL 43 N 0.33 1.18 -0.46 -2.22 2.07 -0.25 -0.59 116.25 116.30 2f5c h VAL 43 Ca 0.09 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2f5c h VAL 43 Cb 0.43 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2f5c h VAL 43 CO 0.01 0.22 -0.00 1.56 0.02 0.00 0.00 177.57 179.38 2f5c h GLN 44 N 1.21 0.76 -0.20 1.57 4.20 -0.96 0.35 115.11 122.05 2f5c h GLN 44 Ca 0.37 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2f5c h GLN 44 Cb -0.03 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2f5c h GLN 44 CO -0.11 0.77 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.39 2f5c h LYS 45 N 0.71 0.49 -0.87 1.46 1.63 -0.94 -1.49 116.57 117.57 2f5c h LYS 45 Ca 0.14 -0.27 0.05 0.00 -0.85 0.00 0.00 60.65 59.72 2f5c h LYS 45 Cb 0.44 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 2f5c h LYS 45 CO 0.02 0.85 0.57 -0.07 -3.45 0.00 0.00 179.45 177.36 2f5c h LEU 46 N 0.16 0.90 -0.68 5.20 3.38 -0.71 0.18 115.31 123.74 2f5c h LEU 46 Ca 0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2f5c h LEU 46 Cb 0.77 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2f5c h LEU 46 CO 0.05 0.60 0.15 -0.78 0.09 0.00 0.00 178.44 178.55 2f5c h ASP 47 N 1.03 1.04 -0.30 -0.43 1.82 -0.16 -0.73 116.42 118.69 2f5c h ASP 47 Ca 0.36 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2f5c h ASP 47 Cb 0.11 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 2f5c h ASP 47 CO -0.12 1.02 0.08 0.50 -1.61 0.00 0.00 179.24 179.11 2f5c h LYS 48 N 1.02 0.48 -0.07 0.28 3.64 0.00 -2.07 116.57 119.84 2f5c h LYS 48 Ca 0.21 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2f5c h LYS 48 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2f5c h LYS 48 CO 0.01 0.54 0.00 -0.25 -2.27 0.00 0.00 179.45 177.48 2f5c n ASP 49 N -4.68 0.07 -3.75 4.20 10.43 0.45 -4.88 116.55 118.39 2f5c n ASP 49 Ca -0.02 -1.85 -0.26 0.00 2.57 0.00 0.00 54.79 55.23 2f5c n ASP 49 Cb 0.18 -0.04 0.05 0.00 1.84 0.00 0.00 41.12 43.15 2f5c n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2f5c n GLU 50 N -0.46 -6.18 -0.03 -1.24 1.02 -0.78 -4.91 120.64 108.06 2f5c n GLU 50 Ca 0.00 0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 57.68 2f5c n GLU 50 Cb 0.02 -5.57 -0.14 0.00 -0.02 0.00 0.00 31.44 25.73 2f5c n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2f5c n TYR 51 N -4.65 0.85 -4.24 -0.32 4.02 -0.34 -4.48 117.16 108.01 2f5c n TYR 51 Ca -0.06 0.24 -0.17 0.00 -0.01 0.00 0.00 57.90 57.90 2f5c n TYR 51 Cb 0.58 -1.13 -0.08 0.00 -0.02 0.00 0.00 39.34 38.68 2f5c n TYR 51 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 2f5c s LEU 52 N -6.44 1.53 -0.05 7.72 0.05 -1.24 0.50 118.68 120.75 2f5c s LEU 52 Ca -0.16 -1.64 0.01 0.00 0.05 0.00 0.00 54.13 52.39 2f5c s LEU 52 Cb 0.07 0.60 0.02 0.00 -2.05 0.00 0.00 46.19 44.84 2f5c s LEU 52 CO 0.78 -1.03 -0.04 -0.63 -0.55 0.00 0.00 176.35 174.88 2f5c s ILE 53 N -3.59 0.52 -0.67 1.48 -1.09 0.29 -4.42 121.20 113.71 2f5c s ILE 53 Ca 0.39 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.77 2f5c s ILE 53 Cb 0.03 -0.57 0.16 0.00 -1.58 0.00 0.00 42.46 40.51 2f5c s ILE 53 CO 0.23 0.24 0.46 -0.47 -1.23 0.00 0.00 174.94 174.17 2f5c s TYR 54 N 1.15 3.50 0.20 3.97 6.04 -1.26 -0.28 117.35 130.68 2f5c s TYR 54 Ca -0.07 -3.23 0.03 0.00 0.04 0.00 0.00 57.07 53.84 2f5c s TYR 54 Cb -0.14 -2.83 0.03 0.00 -1.04 0.00 0.00 41.96 37.98 2f5c s TYR 54 CO -0.01 -0.64 0.27 0.39 -1.54 0.00 0.00 175.55 174.02 2f5c n GLU 55 N 2.40 0.89 0.00 4.97 -0.58 -0.74 -4.91 120.64 122.68 2f5c n GLU 55 Ca 0.15 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.80 2f5c n GLU 55 Cb 0.35 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 2f5c n GLU 55 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2f5c n LYS 56 N -1.40 0.00 0.20 3.49 4.01 -1.26 -2.16 118.16 121.04 2f5c n LYS 56 Ca 0.05 0.42 0.13 0.00 -0.51 0.00 0.00 58.31 58.41 2f5c n LYS 56 Cb 0.21 -1.14 0.32 0.00 -0.51 0.00 0.00 35.03 33.91 2f5c n LYS 56 CO 0.00 0.00 0.00 0.10 -1.11 0.00 0.00 177.40 176.39 2f5c h TYR 57 N 0.00 0.00 0.05 2.13 -0.00 -2.04 -3.26 116.97 113.85 2f5c h TYR 57 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 2f5c h TYR 57 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.74 2f5c h TYR 57 CO 0.08 0.00 -0.48 0.00 -0.00 0.00 0.00 178.16 177.76 2f5c h ARG 58 N 0.00 0.23 0.00 0.10 2.47 -1.98 -3.50 114.38 111.70 2f5c h ARG 58 Ca 0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2f5c h ARG 58 Cb 0.84 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2f5c h ARG 58 CO 0.00 1.09 0.00 0.41 0.56 0.00 0.00 179.97 182.03 2f5c n GLY 59 N 1.38 -0.09 3.76 0.04 0.00 -0.92 -4.74 105.19 104.62 2f5c n GLY 59 Ca -0.11 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 2f5c n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f5c s LEU 60 N 0.00 4.43 -0.02 0.99 2.01 -0.24 -1.79 118.68 124.06 2f5c s LEU 60 Ca 0.00 1.25 -0.00 0.00 0.01 0.00 0.00 54.13 55.39 2f5c s LEU 60 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 46.19 43.22 2f5c s LEU 60 CO 0.00 0.08 0.03 -0.69 1.01 0.00 0.00 176.35 176.78 2f5c s VAL 61 N -0.16 -0.06 0.18 -1.59 1.01 0.61 -4.62 120.40 115.77 2f5c s VAL 61 Ca 0.33 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 2f5c s VAL 61 Cb -0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 2f5c s VAL 61 CO 0.19 0.09 0.88 -0.76 0.00 0.00 0.00 175.10 175.50 2f5c s LEU 62 N 1.10 4.60 1.06 3.92 1.43 -1.26 0.11 118.68 129.63 2f5c s LEU 62 Ca -0.09 1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.65 2f5c s LEU 62 Cb -0.13 -3.49 0.22 0.00 0.03 0.00 0.00 46.19 42.83 2f5c s LEU 62 CO -0.03 0.13 1.18 0.42 0.23 0.00 0.00 176.35 178.28 2f5c s THR 63 N -0.90 1.82 0.41 5.49 -4.23 0.18 -4.72 115.64 113.70 2f5c s THR 63 Ca 0.40 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 2f5c s THR 63 Cb -0.24 -2.70 0.27 0.00 1.34 0.00 0.00 72.50 71.17 2f5c s THR 63 CO 0.29 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 177.19 2f5c h SER 64 N -2.04 0.47 -0.14 3.99 4.64 -1.89 -0.86 113.55 117.71 2f5c h SER 64 Ca -0.46 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.68 2f5c h SER 64 Cb 1.29 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2f5c h SER 64 CO 0.42 0.33 -0.56 0.50 -0.87 0.00 0.00 176.83 176.66 2f5c h LYS 65 N 0.55 0.63 -0.82 4.77 3.64 -1.86 -2.97 116.57 120.51 2f5c h LYS 65 Ca 0.17 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 2f5c h LYS 65 Cb 0.02 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2f5c h LYS 65 CO -0.04 1.11 0.48 0.78 -2.27 0.00 0.00 179.45 179.50 2f5c h GLY 66 N 0.29 1.19 1.76 5.01 0.00 -1.32 -2.72 103.07 107.29 2f5c h GLY 66 Ca -0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 2f5c h GLY 66 CO 0.12 0.49 -0.15 0.50 0.00 0.00 0.00 176.54 177.50 2f5c h LYS 67 N 1.13 0.29 -0.06 4.80 1.57 -1.13 0.29 116.57 123.46 2f5c h LYS 67 Ca 0.29 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2f5c h LYS 67 Cb -0.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2f5c h LYS 67 CO -0.05 0.44 -0.25 0.87 -0.57 0.00 0.00 179.45 179.89 2f5c h LYS 68 N 0.27 0.28 -0.07 3.15 1.57 -1.33 -2.38 116.57 118.07 2f5c h LYS 68 Ca 0.05 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2f5c h LYS 68 Cb 0.43 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2f5c h LYS 68 CO 0.03 0.85 -0.01 0.82 -0.57 0.00 0.00 179.45 180.57 2f5c h ILE 69 N -0.23 1.27 -0.48 1.86 1.08 -1.41 -2.22 117.51 117.38 2f5c h ILE 69 Ca -0.01 -0.85 0.07 0.00 -0.39 0.00 0.00 64.86 63.68 2f5c h ILE 69 Cb 0.89 1.70 -0.06 0.00 -3.07 0.00 0.00 36.82 36.28 2f5c h ILE 69 CO 0.05 0.24 0.13 1.23 -0.69 0.00 0.00 178.15 179.11 2f5c h GLY 70 N -0.18 0.61 1.93 5.37 0.00 -0.50 0.16 103.07 110.45 2f5c h GLY 70 Ca 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2f5c h GLY 70 CO 0.01 -0.03 -0.20 1.70 0.00 0.00 0.00 176.54 178.01 2f5c h LYS 71 N 0.28 0.09 -0.29 4.80 3.64 -1.40 -0.08 116.57 123.63 2f5c h LYS 71 Ca 0.24 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 2f5c h LYS 71 Cb 0.28 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2f5c h LYS 71 CO -0.28 0.29 -0.47 0.00 -2.27 0.00 0.00 179.45 176.73 2f5c h ARG 72 N 0.08 0.82 -0.49 1.90 2.47 -0.55 -0.80 114.38 117.81 2f5c h ARG 72 Ca 0.02 -0.50 -0.13 0.00 -1.26 0.00 0.00 59.98 58.10 2f5c h ARG 72 Cb 0.41 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2f5c h ARG 72 CO 0.03 1.13 -0.21 -0.07 0.56 0.00 0.00 179.97 181.42 2f5c h LEU 73 N 0.59 1.02 -0.61 3.04 3.38 -0.15 -1.24 115.31 121.32 2f5c h LEU 73 Ca 0.02 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 2f5c h LEU 73 Cb 1.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2f5c h LEU 73 CO 0.11 1.18 -0.09 0.58 0.09 0.00 0.00 178.44 180.30 2f5c h VAL 74 N 0.86 1.27 -0.38 1.22 2.07 -0.98 -0.50 116.25 119.81 2f5c h VAL 74 Ca 0.11 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 2f5c h VAL 74 Cb 0.78 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2f5c h VAL 74 CO 0.06 0.44 0.22 0.22 0.02 0.00 0.00 177.57 178.54 2f5c h TYR 75 N 0.90 0.50 -0.29 1.57 3.20 -0.97 -2.38 116.97 119.50 2f5c h TYR 75 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2f5c h TYR 75 Cb 0.65 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2f5c h TYR 75 CO 0.04 0.37 0.18 -0.09 -1.64 0.00 0.00 178.16 177.02 2f5c h ARG 76 N 0.49 0.39 -0.61 1.82 2.43 -0.94 -0.89 114.38 117.07 2f5c h ARG 76 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2f5c h ARG 76 Cb 0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2f5c h ARG 76 CO -0.02 0.30 0.35 1.25 -1.51 0.00 0.00 179.97 180.33 2f5c h HIS 77 N 0.37 0.82 0.00 2.20 2.76 -1.00 -1.97 115.15 118.33 2f5c h HIS 77 Ca 0.10 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.16 2f5c h HIS 77 Cb 0.00 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 2f5c h HIS 77 CO -0.05 0.57 -0.50 0.93 -1.30 0.00 0.00 177.93 177.59 2f5c h GLU 78 N 0.83 0.00 -0.32 5.26 5.08 -1.26 -2.31 114.58 121.86 2f5c h GLU 78 Ca 0.22 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 2f5c h GLU 78 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2f5c h GLU 78 CO -0.04 0.50 -0.47 1.25 -1.00 0.00 0.00 179.01 179.25 2f5c h LEU 79 N 0.00 0.93 -0.57 1.33 5.85 -0.86 -1.61 115.31 120.38 2f5c h LEU 79 Ca -0.01 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 2f5c h LEU 79 Cb 1.10 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2f5c h LEU 79 CO 0.07 1.25 0.04 -0.07 -0.34 0.00 0.00 178.44 179.38 2f5c h LEU 80 N 0.67 0.96 0.10 2.25 3.38 -1.22 -0.37 115.31 121.08 2f5c h LEU 80 Ca 0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2f5c h LEU 80 Cb 1.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2f5c h LEU 80 CO 0.11 1.00 -0.05 -0.33 0.09 0.00 0.00 178.44 179.26 2f5c h GLU 81 N 0.87 -0.13 -0.93 1.13 5.08 -1.31 -1.41 114.58 117.88 2f5c h GLU 81 Ca 0.17 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2f5c h GLU 81 Cb 0.49 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2f5c h GLU 81 CO 0.02 -0.02 0.59 0.37 -1.00 0.00 0.00 179.01 178.97 2f5c h GLN 82 N -0.22 1.01 0.20 2.33 5.75 -1.13 -0.74 115.11 122.31 2f5c h GLN 82 Ca -0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2f5c h GLN 82 Cb 0.17 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 2f5c h GLN 82 CO 0.02 0.67 -0.16 0.35 -2.65 0.00 0.00 178.83 177.06 2f5c h PHE 83 N 1.04 -0.42 -0.65 3.99 3.57 -0.77 0.15 116.94 123.85 2f5c h PHE 83 Ca 0.42 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 2f5c h PHE 83 Cb 0.23 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2f5c h PHE 83 CO -0.02 -0.25 0.13 -0.07 -2.23 0.00 0.00 178.31 175.88 2f5c h LEU 84 N -0.37 0.98 -0.54 0.59 3.38 -0.93 -1.88 115.31 116.54 2f5c h LEU 84 Ca -0.01 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2f5c h LEU 84 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2f5c h LEU 84 CO -0.02 0.96 0.10 -0.09 0.09 0.00 0.00 178.44 179.48 2f5c h ARG 85 N 0.98 0.89 -0.31 1.13 2.43 -1.01 -1.05 114.38 117.45 2f5c h ARG 85 Ca 0.20 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2f5c h ARG 85 Cb 0.38 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2f5c h ARG 85 CO 0.01 0.86 0.06 0.82 -1.51 0.00 0.00 179.97 180.20 2f5c h ILE 86 N 0.78 1.16 -0.22 1.20 2.04 -0.17 -2.39 117.51 119.91 2f5c h ILE 86 Ca 0.17 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2f5c h ILE 86 Cb 0.39 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2f5c h ILE 86 CO 0.01 0.20 0.00 2.30 0.00 0.00 0.00 178.15 180.66 2f5c n ILE 87 N -4.35 0.28 -0.21 -0.67 -5.35 -0.76 -4.93 119.36 103.37 2f5c n ILE 87 Ca 0.01 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2f5c n ILE 87 Cb 0.19 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 2f5c n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f5c n GLY 88 N 1.19 0.89 3.77 3.28 0.00 -0.90 -5.04 105.19 108.38 2f5c n GLY 88 Ca 0.16 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2f5c n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f5c s VAL 89 N -2.00 2.33 0.13 1.61 1.01 -0.42 -4.87 120.40 118.18 2f5c s VAL 89 Ca 0.00 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 2f5c s VAL 89 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 2f5c s VAL 89 CO 0.00 0.05 1.76 -1.81 0.00 0.00 0.00 175.10 175.10 2f5c s ASP 90 N -0.55 6.47 0.34 3.32 -0.00 -1.26 -4.70 116.67 120.29 2f5c s ASP 90 Ca 0.58 2.71 0.17 0.00 -0.00 0.00 0.00 52.55 56.00 2f5c s ASP 90 Cb -0.42 -2.57 1.19 0.00 -0.00 0.00 0.00 42.92 41.12 2f5c s ASP 90 CO 0.54 -0.96 1.49 1.21 -0.00 0.00 0.00 175.17 177.45 2f5c n GLU 91 N 5.32 -0.06 0.26 8.23 4.07 -1.26 0.43 120.64 137.63 2f5c n GLU 91 Ca 0.17 1.32 0.11 0.00 -0.06 0.00 0.00 57.16 58.70 2f5c n GLU 91 Cb 0.38 -2.33 0.71 0.00 -0.06 0.00 0.00 31.44 30.15 2f5c n GLU 91 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2f5c h GLU 92 N 0.00 0.00 0.00 5.31 5.08 -2.02 -3.12 114.58 119.82 2f5c h GLU 92 Ca 0.77 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.91 2f5c h GLU 92 Cb 1.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.19 2f5c h GLU 92 CO -0.75 0.11 -1.31 0.87 -1.00 0.00 0.00 179.01 176.92 2f5c h LYS 93 N 0.00 0.00 -0.38 2.33 1.79 -0.38 -3.42 116.57 116.50 2f5c h LYS 93 Ca -0.00 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2f5c h LYS 93 Cb 0.25 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.81 2f5c h LYS 93 CO 0.01 0.53 -0.43 0.82 -1.08 0.00 0.00 179.45 179.31 2f5c h ILE 94 N 0.00 0.11 -0.38 1.86 2.04 -1.51 -2.60 117.51 117.04 2f5c h ILE 94 Ca -0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.77 2f5c h ILE 94 Cb 1.75 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 2f5c h ILE 94 CO 0.08 0.00 0.02 0.22 0.00 0.00 0.00 178.15 178.47 2f5c h TYR 95 N -0.34 0.02 0.25 1.37 3.20 -1.81 -0.02 116.97 119.64 2f5c h TYR 95 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2f5c h TYR 95 Cb 0.59 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2f5c h TYR 95 CO -0.61 -0.05 -0.27 -0.91 -1.64 0.00 0.00 178.16 174.68 2f5c h ASN 96 N 0.13 -0.72 -0.77 -2.11 2.35 -1.81 0.65 115.58 113.28 2f5c h ASN 96 Ca 0.18 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 2f5c h ASN 96 Cb 0.25 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 2f5c h ASN 96 CO -0.29 -0.38 0.50 0.44 -1.65 0.00 0.00 177.43 176.05 2f5c h ASP 97 N -0.56 0.86 -0.15 5.81 5.19 -1.21 -2.09 116.42 124.26 2f5c h ASP 97 Ca -0.00 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.31 2f5c h ASP 97 Cb 0.52 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2f5c h ASP 97 CO -0.07 0.61 -0.15 0.58 -3.12 0.00 0.00 179.24 177.09 2f5c h VAL 98 N 1.01 1.24 0.00 -1.35 2.07 -0.80 -1.97 116.25 116.44 2f5c h VAL 98 Ca 0.30 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 2f5c h VAL 98 Cb -0.06 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2f5c h VAL 98 CO -0.08 0.36 -0.42 -0.08 0.02 0.00 0.00 177.57 177.36 2f5c h GLU 99 N 0.49 0.00 0.03 1.57 4.57 -0.21 -2.73 114.58 118.29 2f5c h GLU 99 Ca 0.09 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.12 2f5c h GLU 99 Cb 0.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2f5c h GLU 99 CO 0.03 0.42 -0.78 0.78 -1.18 0.00 0.00 179.01 178.28 2f5c h GLY 100 N 1.66 0.07 2.00 1.92 0.00 -1.11 -3.40 103.07 104.20 2f5c h GLY 100 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2f5c h GLY 100 CO 0.05 0.15 -0.62 0.16 0.00 0.00 0.00 176.54 176.28 2f5c h ILE 101 N -0.85 1.38 -1.27 2.60 3.07 -1.45 -3.31 117.51 117.69 2f5c h ILE 101 Ca -0.20 -2.17 0.37 0.00 1.55 0.00 0.00 64.86 64.41 2f5c h ILE 101 Cb 1.29 2.19 -0.06 0.00 -0.27 0.00 0.00 36.82 39.97 2f5c h ILE 101 CO -0.07 0.61 0.90 1.05 -1.05 0.00 0.00 178.15 179.59 2f5c h GLU 102 N 0.00 0.04 0.00 0.16 4.11 -1.69 0.67 114.58 117.86 2f5c h GLU 102 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2f5c h GLU 102 Cb 1.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2f5c h GLU 102 CO 0.08 0.02 -0.55 0.72 0.07 0.00 0.00 179.01 179.35 2f5c n HIS 103 N -4.21 0.61 -0.95 2.06 8.25 -1.25 -4.15 115.22 115.58 2f5c n HIS 103 Ca 0.28 0.18 0.08 0.00 -0.26 0.00 0.00 57.72 58.00 2f5c n HIS 103 Cb 1.31 -0.70 0.26 0.00 1.12 0.00 0.00 29.99 31.98 2f5c n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2f5c n HIS 104 N -2.14 0.92 -4.51 4.41 8.25 0.22 -4.95 115.22 117.42 2f5c n HIS 104 Ca 0.03 -0.86 -0.34 0.00 -0.26 0.00 0.00 57.72 56.30 2f5c n HIS 104 Cb 0.44 -0.30 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 2f5c n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2f5c s LEU 105 N -2.73 3.16 0.95 2.41 1.43 -1.17 -5.10 118.68 117.62 2f5c s LEU 105 Ca 0.41 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 2f5c s LEU 105 Cb 0.33 -1.73 0.16 0.00 0.03 0.00 0.00 46.19 44.98 2f5c s LEU 105 CO 0.09 0.22 1.10 -0.94 0.23 0.00 0.00 176.35 177.06 2f5c s SER 106 N 0.04 3.09 0.27 2.29 1.04 -1.26 -4.84 113.70 114.32 2f5c s SER 106 Ca -0.01 1.19 0.11 0.00 0.48 0.00 0.00 55.95 57.73 2f5c s SER 106 Cb -0.14 -1.85 0.32 0.00 0.10 0.00 0.00 66.02 64.46 2f5c s SER 106 CO 0.03 -2.84 1.59 -0.50 0.98 0.00 0.00 173.24 172.49 2f5c h TRP 107 N -1.69 0.00 -0.54 5.02 4.06 -1.99 -1.19 115.95 119.61 2f5c h TRP 107 Ca -0.52 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.39 2f5c h TRP 107 Cb 1.32 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.45 2f5c h TRP 107 CO 0.33 0.63 0.18 -0.97 -3.56 0.00 0.00 178.44 175.05 2f5c h ASN 108 N 0.00 0.73 -0.03 -3.49 -1.24 -2.00 -1.13 115.58 108.42 2f5c h ASN 108 Ca -0.01 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 2f5c h ASN 108 Cb 1.15 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.02 2f5c h ASN 108 CO 0.08 0.68 -0.21 0.28 -1.29 0.00 0.00 177.43 176.97 2f5c h SER 109 N 0.78 0.24 -0.98 1.15 0.02 -1.83 -2.80 113.55 110.12 2f5c h SER 109 Ca 0.18 -0.69 0.24 0.00 -0.84 0.00 0.00 61.79 60.68 2f5c h SER 109 Cb 0.21 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.60 2f5c h SER 109 CO -0.01 0.90 0.65 0.40 -1.14 0.00 0.00 176.83 177.62 2f5c h ILE 110 N -0.40 0.59 -0.20 3.27 1.08 -0.97 0.12 117.51 121.00 2f5c h ILE 110 Ca -0.02 -0.13 -0.19 0.00 -0.39 0.00 0.00 64.86 64.13 2f5c h ILE 110 Cb 0.90 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2f5c h ILE 110 CO 0.04 0.07 -0.65 0.44 -0.69 0.00 0.00 178.15 177.36 2f5c h ASP 111 N 0.37 0.83 0.56 1.72 3.32 -1.12 -1.93 116.42 120.17 2f5c h ASP 111 Ca 0.53 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2f5c h ASP 111 Cb 1.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2f5c h ASP 111 CO -0.22 1.26 -0.46 0.03 -1.72 0.00 0.00 179.24 178.13 2f5c h ARG 112 N 0.53 0.00 -0.04 3.56 2.47 -0.77 -1.70 114.38 118.43 2f5c h ARG 112 Ca -0.01 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 2f5c h ARG 112 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.55 2f5c h ARG 112 CO 0.13 0.46 -0.63 0.82 0.56 0.00 0.00 179.97 181.32 2f5c h ILE 113 N 0.00 1.42 -0.16 2.04 1.08 -0.74 -2.03 117.51 119.12 2f5c h ILE 113 Ca -0.00 -2.08 -0.03 0.00 -0.39 0.00 0.00 64.86 62.36 2f5c h ILE 113 Cb 0.87 2.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 2f5c h ILE 113 CO 0.06 0.61 -0.01 1.23 -0.69 0.00 0.00 178.15 179.35 2f5c h GLY 114 N 1.64 0.31 1.01 5.37 0.00 -0.57 -1.71 103.07 109.12 2f5c h GLY 114 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2f5c h GLY 114 CO 0.09 0.22 0.41 -0.55 0.00 0.00 0.00 176.54 176.71 2f5c h ASP 115 N 0.03 0.94 -1.01 0.19 3.32 -1.26 -1.35 116.42 117.28 2f5c h ASP 115 Ca 0.05 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2f5c h ASP 115 Cb 0.39 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2f5c h ASP 115 CO 0.01 0.77 0.66 0.25 -1.72 0.00 0.00 179.24 179.21 2f5c h LEU 116 N 1.04 1.13 -0.45 1.55 5.85 -1.28 0.21 115.31 123.37 2f5c h LEU 116 Ca 0.26 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2f5c h LEU 116 Cb 0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2f5c h LEU 116 CO -0.04 0.80 -0.20 0.58 -0.34 0.00 0.00 178.44 179.24 2f5c h VAL 117 N 1.33 1.27 0.12 1.05 2.07 -0.80 -2.98 116.25 118.32 2f5c h VAL 117 Ca 0.38 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2f5c h VAL 117 Cb -0.09 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2f5c h VAL 117 CO -0.10 0.46 -0.11 -0.61 0.02 0.00 0.00 177.57 177.23 2f5c h GLN 118 N 0.77 -0.24 -1.00 1.57 4.15 -0.38 0.12 115.11 120.10 2f5c h GLN 118 Ca 0.10 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.68 2f5c h GLN 118 Cb 0.77 0.05 -0.16 0.00 0.21 0.00 0.00 27.48 28.36 2f5c h GLN 118 CO 0.06 -0.16 -0.42 -0.92 -1.93 0.00 0.00 178.83 175.47 2f5c h TYR 119 N -0.25 -1.21 -0.03 3.99 3.20 -0.48 0.11 116.97 122.31 2f5c h TYR 119 Ca 0.00 0.11 -0.21 0.00 3.14 0.00 0.00 58.73 61.77 2f5c h TYR 119 Cb 0.24 0.67 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2f5c h TYR 119 CO -0.11 -0.40 -0.88 0.74 -1.64 0.00 0.00 178.16 175.87 2f5c h PHE 120 N -0.00 0.60 0.00 -3.82 -1.00 -1.37 -3.28 116.94 108.07 2f5c h PHE 120 Ca 0.32 -0.31 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 2f5c h PHE 120 Cb 0.57 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2f5c h PHE 120 CO -0.90 1.11 -0.19 0.93 -1.61 0.00 0.00 178.31 177.65 2f5c h GLU 121 N 0.25 0.00 -0.06 1.51 4.39 0.99 -2.95 114.58 118.70 2f5c h GLU 121 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2f5c h GLU 121 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2f5c h GLU 121 CO 0.15 0.19 0.00 -0.85 -1.16 0.00 0.00 179.01 177.34 2f5c n GLU 122 N -3.91 1.55 -3.16 2.33 0.28 0.17 -4.77 120.64 113.13 2f5c n GLU 122 Ca -0.02 -0.80 0.05 0.00 -0.16 0.00 0.00 57.16 56.22 2f5c n GLU 122 Cb 0.28 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.70 2f5c n GLU 122 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2f5c s ASP 123 N -1.81 -0.79 0.64 -1.84 2.15 -1.11 -5.03 116.67 108.88 2f5c s ASP 123 Ca 0.36 0.51 0.40 0.00 0.43 0.00 0.00 52.55 54.25 2f5c s ASP 123 Cb 0.19 1.67 2.19 0.00 -0.30 0.00 0.00 42.92 46.67 2f5c s ASP 123 CO 0.30 -0.15 2.31 0.44 -0.17 0.00 0.00 175.17 177.91 2f5c h ASP 124 N 7.99 0.00 -0.54 -0.34 3.32 -1.86 -2.12 116.42 122.86 2f5c h ASP 124 Ca -0.17 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.96 2f5c h ASP 124 Cb 1.17 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 2f5c h ASP 124 CO 0.03 0.01 0.19 0.00 -1.72 0.00 0.00 179.24 177.75 2f5c h ALA 125 N 1.99 0.67 -0.80 3.45 0.00 -1.95 -0.12 119.26 122.51 2f5c h ALA 125 Ca -0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2f5c h ALA 125 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2f5c h ALA 125 CO 0.00 -0.21 0.53 0.00 0.00 0.00 0.00 179.25 179.57 2f5c h ARG 126 N 0.37 1.04 -0.64 0.00 3.08 -1.72 -2.00 114.38 114.52 2f5c h ARG 126 Ca 0.27 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2f5c h ARG 126 Cb 0.30 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2f5c h ARG 126 CO -0.27 0.69 0.26 0.87 -1.07 0.00 0.00 179.97 180.44 2f5c h LYS 127 N 1.07 0.93 -0.00 0.04 1.57 -1.18 -1.95 116.57 117.05 2f5c h LYS 127 Ca 0.29 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 2f5c h LYS 127 Cb -0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2f5c h LYS 127 CO -0.07 0.76 -0.60 0.87 -0.57 0.00 0.00 179.45 179.84 2f5c h LYS 128 N 0.92 0.01 -0.07 3.15 1.57 -0.58 -0.94 116.57 120.62 2f5c h LYS 128 Ca 0.22 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.80 2f5c h LYS 128 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2f5c h LYS 128 CO -0.02 0.61 -0.76 -0.44 -0.57 0.00 0.00 179.45 178.27 2f5c h ASP 129 N 0.01 0.50 -0.11 0.86 3.32 -1.01 -1.75 116.42 118.24 2f5c h ASP 129 Ca -0.01 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 2f5c h ASP 129 Cb 1.06 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 2f5c h ASP 129 CO 0.08 1.09 -0.12 0.25 -1.72 0.00 0.00 179.24 178.81 2f5c h LEU 130 N 0.28 0.30 -1.01 1.55 5.85 -1.25 -3.04 115.31 117.99 2f5c h LEU 130 Ca -0.04 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.23 2f5c h LEU 130 Cb 1.34 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2f5c h LEU 130 CO 0.13 0.74 0.66 0.50 -0.34 0.00 0.00 178.44 180.12 2f5c h LYS 131 N -0.12 1.21 0.00 1.25 1.63 -1.15 -1.08 116.57 118.30 2f5c h LYS 131 Ca 0.02 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2f5c h LYS 131 Cb 0.66 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2f5c h LYS 131 CO 0.03 0.80 -0.06 0.66 -3.45 0.00 0.00 179.45 177.43 2f5c h SER 132 N 1.25 0.00 -0.08 4.20 4.64 -1.24 -0.05 113.55 122.26 2f5c h SER 132 Ca 0.41 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.50 2f5c h SER 132 Cb 0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2f5c h SER 132 CO -0.14 0.06 -0.83 0.40 -0.87 0.00 0.00 176.83 175.45 2f5c h ILE 133 N 0.00 1.29 -0.40 0.95 2.04 -1.09 -2.50 117.51 117.79 2f5c h ILE 133 Ca -0.00 -2.05 -0.09 0.00 1.00 0.00 0.00 64.86 63.72 2f5c h ILE 133 Cb 0.18 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2f5c h ILE 133 CO 0.01 0.64 -0.11 -0.61 0.00 0.00 0.00 178.15 178.08 2f5c h GLN 134 N 0.49 0.72 0.86 2.37 4.15 -0.80 -0.32 115.11 122.58 2f5c h GLN 134 Ca -0.07 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 2f5c h GLN 134 Cb 1.46 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.10 2f5c h GLN 134 CO 0.17 0.81 -0.41 0.87 -1.93 0.00 0.00 178.83 178.33 2f5c h LYS 135 N 0.65 -1.11 -0.53 1.69 1.79 -1.05 -1.06 116.57 116.96 2f5c h LYS 135 Ca 0.11 0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 2f5c h LYS 135 Cb 0.57 0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 2f5c h LYS 135 CO 0.04 -0.74 0.31 1.57 -1.08 0.00 0.00 179.45 179.54 2f5c h LYS 136 N -1.16 0.71 -0.27 3.15 2.10 -1.37 0.64 116.57 120.38 2f5c h LYS 136 Ca -0.12 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 58.43 2f5c h LYS 136 Cb 0.89 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 2f5c h LYS 136 CO 0.19 0.51 -0.03 1.15 -2.00 0.00 0.00 179.45 179.28 2f5c h THR 137 N 0.72 1.18 -0.43 0.07 2.02 -0.81 -2.97 112.91 112.69 2f5c h THR 137 Ca 0.19 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2f5c h THR 137 Cb -0.01 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2f5c h THR 137 CO -0.03 0.24 0.00 -0.62 0.37 0.00 0.00 175.52 175.48 2f5c n GLU 138 N -4.30 3.05 0.10 6.66 1.02 -0.42 -4.66 120.64 122.09 2f5c n GLU 138 Ca 0.01 -2.45 0.11 0.00 -0.02 0.00 0.00 57.16 54.81 2f5c n GLU 138 Cb 0.24 -1.55 0.60 0.00 -0.02 0.00 0.00 31.44 30.70 2f5c n GLU 138 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2f5c h HIS 139 N 2.64 0.15 0.00 -0.32 2.07 -0.75 -1.02 115.15 117.93 2f5c h HIS 139 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2f5c h HIS 139 Cb 1.05 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.98 2f5c h HIS 139 CO 0.42 0.08 0.00 -2.39 -3.07 0.00 0.00 177.93 172.98 2f5c n HIS 140 N -4.48 0.00 0.08 6.12 1.44 -1.26 -2.18 115.22 114.93 2f5c n HIS 140 Ca 0.03 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.76 2f5c n HIS 140 Cb 0.27 -0.21 0.03 0.00 0.12 0.00 0.00 29.99 30.19 2f5c n HIS 140 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2f5c n ASN 141 N -1.21 1.64 -0.90 4.39 5.03 -0.39 -5.27 115.26 118.55 2f5c n ASN 141 Ca 0.07 -1.44 0.12 0.00 0.87 0.00 0.00 54.58 54.19 2f5c n ASN 141 Cb 0.08 -0.03 0.15 0.00 -1.02 0.00 0.00 39.78 38.97 2f5c n ASN 141 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43