#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmi s ALA 6 N 0.00 3.54 -0.31 3.14 0.00 -1.26 -4.04 121.76 122.82 1cmi s ALA 6 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1cmi s ALA 6 Cb 0.00 -2.51 0.09 0.00 0.00 0.00 0.00 23.12 20.69 1cmi s ALA 6 CO 0.00 0.04 0.01 0.08 0.00 0.00 0.00 175.76 175.89 1cmi s VAL 7 N 0.55 2.12 -0.32 0.00 1.01 -1.02 -4.96 120.40 117.78 1cmi s VAL 7 Ca 0.21 -2.04 -0.29 0.00 0.00 0.00 0.00 61.98 59.86 1cmi s VAL 7 Cb -0.14 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1cmi s VAL 7 CO 0.07 -0.43 1.67 -0.63 0.00 0.00 0.00 175.10 175.78 1cmi s ILE 8 N 1.03 3.63 -0.10 2.22 1.09 -1.26 -1.30 121.20 126.51 1cmi s ILE 8 Ca 0.05 0.66 -0.13 0.00 -1.10 0.00 0.00 60.65 60.12 1cmi s ILE 8 Cb -0.19 -3.78 -0.28 0.00 -1.06 0.00 0.00 42.46 37.15 1cmi s ILE 8 CO -0.08 -0.45 0.54 0.11 -0.10 0.00 0.00 174.94 174.96 1cmi h LYS 9 N 11.81 0.28 -2.54 2.79 1.79 -1.75 -3.47 116.57 125.48 1cmi h LYS 9 Ca -0.32 -0.47 -0.16 0.00 -2.18 0.00 0.00 60.65 57.51 1cmi h LYS 9 Cb 1.15 0.18 -0.30 0.00 -1.58 0.00 0.00 32.23 31.68 1cmi h LYS 9 CO 1.03 1.23 -0.46 1.21 -1.08 0.00 0.00 179.45 181.38 1cmi s ASN 10 N -7.10 0.14 -0.00 0.86 3.84 -0.61 -5.03 114.94 107.04 1cmi s ASN 10 Ca -0.20 0.66 -0.01 0.00 0.21 0.00 0.00 52.86 53.52 1cmi s ASN 10 Cb 0.05 1.03 -0.00 0.00 -0.55 0.00 0.00 41.25 41.77 1cmi s ASN 10 CO 0.78 -0.25 0.01 0.00 -2.79 0.00 0.00 177.10 174.86 1cmi s ALA 11 N 2.52 -0.03 0.00 1.71 0.00 -1.26 0.12 121.76 124.82 1cmi s ALA 11 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1cmi s ALA 11 Cb -0.13 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1cmi s ALA 11 CO -0.12 -0.04 0.51 -0.25 0.00 0.00 0.00 175.76 175.86 1cmi n ASP 12 N 2.74 0.91 -4.97 0.00 8.00 -0.26 -5.01 116.55 117.96 1cmi n ASP 12 Ca -0.15 -1.23 -0.21 0.00 0.71 0.00 0.00 54.79 53.91 1cmi n ASP 12 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1cmi n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cmi s MET 13 N -0.23 3.13 0.53 -1.24 0.23 -1.23 -3.28 119.30 117.20 1cmi s MET 13 Ca 0.00 -0.72 -0.22 0.00 -1.03 0.00 0.00 55.69 53.72 1cmi s MET 13 Cb 0.00 -2.69 -0.05 0.00 -1.53 0.00 0.00 34.83 30.55 1cmi s MET 13 CO 0.00 -0.07 1.36 -1.54 -2.03 0.00 0.00 175.02 172.74 1cmi s SER 14 N -4.18 5.38 0.00 -1.18 1.04 -1.26 -4.68 113.70 108.83 1cmi s SER 14 Ca 0.46 2.77 0.00 0.00 0.48 0.00 0.00 55.95 59.66 1cmi s SER 14 Cb -0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1cmi s SER 14 CO 0.34 -1.49 0.83 -1.84 0.98 0.00 0.00 173.24 172.06 1cmi n GLU 15 N -0.89 0.00 -0.09 4.02 0.28 -1.26 0.04 120.64 122.73 1cmi n GLU 15 Ca 0.09 0.34 -0.23 0.00 -0.16 0.00 0.00 57.16 57.20 1cmi n GLU 15 Cb 0.45 -1.61 -0.12 0.00 1.43 0.00 0.00 31.44 31.59 1cmi n GLU 15 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1cmi n GLU 16 N -1.33 0.62 0.08 3.44 1.02 -1.26 -3.14 120.64 120.07 1cmi n GLU 16 Ca 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1cmi n GLU 16 Cb 0.11 -1.66 0.31 0.00 -0.02 0.00 0.00 31.44 30.18 1cmi n GLU 16 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1cmi h MET 17 N -0.71 0.31 -0.54 3.49 4.05 -1.35 -0.72 114.93 119.46 1cmi h MET 17 Ca -0.47 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 58.78 1cmi h MET 17 Cb 1.57 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.32 1cmi h MET 17 CO -0.19 0.50 0.03 0.37 0.23 0.00 0.00 176.91 177.84 1cmi h GLN 18 N 0.29 0.90 0.71 0.39 4.15 -0.55 -1.25 115.11 119.74 1cmi h GLN 18 Ca 0.05 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 1cmi h GLN 18 Cb 0.50 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.10 1cmi h GLN 18 CO 0.03 0.88 -0.34 0.37 -1.93 0.00 0.00 178.83 177.84 1cmi h GLN 19 N 0.84 -0.91 -0.88 1.69 4.15 -1.12 -2.87 115.11 116.01 1cmi h GLN 19 Ca 0.16 0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.75 1cmi h GLN 19 Cb 0.46 0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.29 1cmi h GLN 19 CO 0.02 -0.59 0.57 -0.44 -1.93 0.00 0.00 178.83 176.45 1cmi h ASP 20 N -1.00 0.77 -0.32 -0.69 3.32 -1.13 -0.64 116.42 116.72 1cmi h ASP 20 Ca -0.10 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1cmi h ASP 20 Cb 0.74 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1cmi h ASP 20 CO 0.16 0.45 0.11 0.28 -1.72 0.00 0.00 179.24 178.51 1cmi h SER 21 N 0.85 0.11 -0.10 6.45 0.02 -1.12 0.46 113.55 120.22 1cmi h SER 21 Ca 0.41 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1cmi h SER 21 Cb 0.45 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1cmi h SER 21 CO -0.18 0.10 -0.06 0.58 -1.14 0.00 0.00 176.83 176.14 1cmi h VAL 22 N 0.24 1.33 -0.09 2.27 2.07 -1.19 -1.24 116.25 119.64 1cmi h VAL 22 Ca 0.15 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1cmi h VAL 22 Cb 0.12 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1cmi h VAL 22 CO -0.15 0.31 -0.06 -0.08 0.02 0.00 0.00 177.57 177.61 1cmi h GLU 23 N -0.16 -0.06 -0.62 1.57 4.81 -0.92 0.25 114.58 119.44 1cmi h GLU 23 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1cmi h GLU 23 Cb 0.52 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1cmi h GLU 23 CO 0.02 -0.04 0.40 0.00 -0.73 0.00 0.00 179.01 178.65 1cmi h ALA 25 N 1.21 1.00 0.10 0.00 0.00 -0.92 -2.02 119.26 118.63 1cmi h ALA 25 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cmi h ALA 25 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1cmi h ALA 25 CO -0.05 0.61 -0.09 1.15 0.00 0.00 0.00 179.25 180.87 1cmi h THR 26 N 0.79 0.79 -0.85 0.00 2.02 -0.50 -0.15 112.91 115.02 1cmi h THR 26 Ca 0.15 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.37 1cmi h THR 26 Cb 0.52 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 1cmi h THR 26 CO 0.03 0.00 0.56 1.56 0.37 0.00 0.00 175.52 178.04 1cmi h GLN 27 N -0.21 1.01 -0.48 6.66 4.20 -1.25 -2.12 115.11 122.92 1cmi h GLN 27 Ca 0.00 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1cmi h GLN 27 Cb 0.20 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1cmi h GLN 27 CO -0.02 0.67 -0.19 0.00 -0.67 0.00 0.00 178.83 178.62 1cmi h ALA 28 N 1.51 0.76 -0.61 3.87 0.00 -0.80 -2.01 119.26 121.96 1cmi h ALA 28 Ca 0.34 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1cmi h ALA 28 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1cmi h ALA 28 CO -0.11 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.79 1cmi h LEU 29 N 0.83 1.02 -0.74 0.00 3.38 -0.58 0.18 115.31 119.40 1cmi h LEU 29 Ca 0.11 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1cmi h LEU 29 Cb 0.75 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1cmi h LEU 29 CO 0.06 1.05 -0.06 -0.33 0.09 0.00 0.00 178.44 179.24 1cmi h GLU 30 N 0.95 0.90 0.16 1.13 5.08 -1.33 -3.30 114.58 118.18 1cmi h GLU 30 Ca 0.18 -0.29 -0.30 0.00 -1.00 0.00 0.00 59.36 57.95 1cmi h GLU 30 Cb 0.49 -0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.69 1cmi h GLU 30 CO 0.02 0.93 -1.31 -0.22 -1.00 0.00 0.00 179.01 177.43 1cmi h LYS 31 N 0.81 0.51 -6.59 2.33 3.64 -1.06 -3.47 116.57 112.74 1cmi h LYS 31 Ca 0.14 -0.77 -0.65 0.00 -1.27 0.00 0.00 60.65 58.10 1cmi h LYS 31 Cb 0.57 0.27 -0.17 0.00 -0.41 0.00 0.00 32.23 32.49 1cmi h LYS 31 CO 0.03 1.35 -0.79 0.71 -2.27 0.00 0.00 179.45 178.49 1cmi s TYR 32 N -2.80 2.44 -1.22 1.91 2.02 0.03 -5.03 117.35 114.68 1cmi s TYR 32 Ca -0.08 -0.30 0.14 0.00 -0.37 0.00 0.00 57.07 56.46 1cmi s TYR 32 Cb 0.06 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1cmi s TYR 32 CO 0.92 0.48 0.76 -1.71 -1.57 0.00 0.00 175.55 174.44 1cmi n ASN 33 N 0.29 1.40 -4.36 2.29 2.85 -1.26 -4.68 115.26 111.79 1cmi n ASN 33 Ca -0.13 -1.20 -0.34 0.00 -0.11 0.00 0.00 54.58 52.80 1cmi n ASN 33 Cb 0.55 0.53 -0.14 0.00 1.24 0.00 0.00 39.78 41.96 1cmi n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1cmi s ILE 34 N -1.78 3.36 0.31 -1.44 1.01 -1.26 -5.00 121.20 116.39 1cmi s ILE 34 Ca 0.11 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1cmi s ILE 34 Cb 0.11 -2.48 0.30 0.00 0.01 0.00 0.00 42.46 40.40 1cmi s ILE 34 CO 0.38 0.47 1.72 -0.33 0.00 0.00 0.00 174.94 177.18 1cmi h GLU 35 N 7.45 0.53 0.19 2.79 3.07 -1.91 -0.43 114.58 126.27 1cmi h GLU 35 Ca -0.35 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.49 1cmi h GLU 35 Cb 1.18 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.95 1cmi h GLU 35 CO 0.60 0.35 -0.26 -0.22 -1.40 0.00 0.00 179.01 178.08 1cmi h LYS 36 N 0.55 -0.49 -0.54 2.33 3.64 -1.95 0.11 116.57 120.22 1cmi h LYS 36 Ca 0.62 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 60.01 1cmi h LYS 36 Cb 1.17 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1cmi h LYS 36 CO -0.48 -0.33 0.23 -0.44 -2.27 0.00 0.00 179.45 176.16 1cmi h ASP 37 N -0.51 0.70 -0.41 4.20 3.32 -1.58 0.12 116.42 122.27 1cmi h ASP 37 Ca 0.01 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1cmi h ASP 37 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1cmi h ASP 37 CO -0.10 0.62 0.13 0.40 -1.72 0.00 0.00 179.24 178.58 1cmi h ILE 38 N 0.77 1.21 -0.67 0.35 2.04 -0.71 0.02 117.51 120.53 1cmi h ILE 38 Ca 0.19 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1cmi h ILE 38 Cb 0.13 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1cmi h ILE 38 CO -0.02 0.25 0.18 0.00 0.00 0.00 0.00 178.15 178.55 1cmi h ALA 39 N 0.98 0.88 -0.71 1.87 0.00 -0.19 -1.91 119.26 120.18 1cmi h ALA 39 Ca 0.13 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1cmi h ALA 39 Cb 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1cmi h ALA 39 CO -0.01 0.59 0.46 0.00 0.00 0.00 0.00 179.25 180.29 1cmi h ALA 40 N 1.08 0.92 0.72 0.00 0.00 -0.45 0.62 119.26 122.15 1cmi h ALA 40 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1cmi h ALA 40 Cb 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cmi h ALA 40 CO -0.00 0.27 -0.38 1.25 0.00 0.00 0.00 179.25 180.38 1cmi h HIS 41 N 0.91 -1.01 -0.72 0.00 6.17 -0.51 -1.06 115.15 118.93 1cmi h HIS 41 Ca 0.28 -0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.43 1cmi h HIS 41 Cb -0.03 0.34 -0.07 0.00 2.52 0.00 0.00 27.41 30.17 1cmi h HIS 41 CO -0.03 -0.60 0.37 0.82 0.71 0.00 0.00 177.93 179.20 1cmi h ILE 42 N -1.02 0.87 0.43 6.26 2.04 -1.15 -2.39 117.51 122.55 1cmi h ILE 42 Ca -0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1cmi h ILE 42 Cb 0.80 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1cmi h ILE 42 CO 0.13 0.12 -0.31 0.50 0.00 0.00 0.00 178.15 178.59 1cmi h LYS 43 N 0.64 -0.71 -0.90 2.37 3.11 -0.65 -2.73 116.57 117.69 1cmi h LYS 43 Ca 0.35 0.05 0.05 0.00 -2.81 0.00 0.00 60.65 58.29 1cmi h LYS 43 Cb 0.35 0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 31.69 1cmi h LYS 43 CO -0.26 -0.47 0.59 0.87 -2.81 0.00 0.00 179.45 177.37 1cmi h LYS 44 N -0.73 1.06 -0.16 1.90 1.57 -0.93 -1.59 116.57 117.68 1cmi h LYS 44 Ca -0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1cmi h LYS 44 Cb 0.62 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1cmi h LYS 44 CO 0.01 0.70 0.08 0.93 -0.57 0.00 0.00 179.45 180.60 1cmi h GLU 45 N 1.09 0.23 -0.44 3.15 4.39 -1.35 -1.83 114.58 119.82 1cmi h GLU 45 Ca 0.37 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.97 1cmi h GLU 45 Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1cmi h GLU 45 CO -0.12 0.27 -0.01 0.74 -1.16 0.00 0.00 179.01 178.73 1cmi h PHE 46 N 0.14 0.76 -0.78 4.33 -1.00 -1.16 0.23 116.94 119.47 1cmi h PHE 46 Ca 0.06 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1cmi h PHE 46 Cb 0.11 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.42 1cmi h PHE 46 CO -0.03 0.72 0.42 -0.44 -1.61 0.00 0.00 178.31 177.38 1cmi h ASP 47 N 0.68 0.98 0.42 2.17 3.32 -1.15 0.82 116.42 123.65 1cmi h ASP 47 Ca 0.13 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1cmi h ASP 47 Cb 0.43 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1cmi h ASP 47 CO 0.02 0.80 -0.20 0.11 -1.72 0.00 0.00 179.24 178.24 1cmi h LYS 48 N 1.08 -0.54 -0.07 3.56 1.57 -0.45 0.33 116.57 122.05 1cmi h LYS 48 Ca 0.27 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1cmi h LYS 48 Cb 0.04 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1cmi h LYS 48 CO -0.04 -0.36 -0.38 -0.22 -0.57 0.00 0.00 179.45 177.87 1cmi h LYS 49 N -0.66 0.14 -0.02 3.15 3.64 -0.56 -3.28 116.57 118.98 1cmi h LYS 49 Ca -0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1cmi h LYS 49 Cb 0.43 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1cmi h LYS 49 CO 0.09 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 1cmi n TYR 50 N -4.06 0.05 -1.33 1.91 4.01 0.28 -5.06 117.16 112.96 1cmi n TYR 50 Ca -0.02 -0.86 0.03 0.00 -0.16 0.00 0.00 57.90 56.90 1cmi n TYR 50 Cb 0.44 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 1cmi n TYR 50 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1cmi n ASN 51 N -1.12 -7.19 -4.68 7.72 5.03 0.12 -4.88 115.26 110.27 1cmi n ASN 51 Ca 0.12 1.55 -0.31 0.00 0.87 0.00 0.00 54.58 56.81 1cmi n ASN 51 Cb 0.55 -4.24 0.16 0.00 -1.02 0.00 0.00 39.78 35.22 1cmi n ASN 51 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1cmi s PRO 52 N -5.02 1.12 -0.09 3.52 0.02 -1.21 -4.48 135.00 128.86 1cmi s PRO 52 Ca 0.00 1.55 0.03 0.00 0.02 0.00 0.00 61.00 62.60 1cmi s PRO 52 Cb 0.00 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.79 1cmi s PRO 52 CO 0.00 -2.56 -0.20 0.99 -0.33 0.00 0.00 177.00 174.91 1cmi s THR 53 N -2.62 1.74 0.35 0.99 2.01 -1.24 -4.79 115.64 112.09 1cmi s THR 53 Ca 0.67 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1cmi s THR 53 Cb -0.23 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1cmi s THR 53 CO 0.57 0.49 0.25 0.26 -0.69 0.00 0.00 174.62 175.50 1cmi s TRP 54 N 0.52 2.80 -0.00 4.92 0.52 -1.26 -1.49 118.94 124.95 1cmi s TRP 54 Ca -0.16 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 55.56 1cmi s TRP 54 Cb -0.17 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 1cmi s TRP 54 CO 0.06 0.19 0.07 -1.01 0.02 0.00 0.00 176.95 176.28 1cmi s HIS 55 N -2.38 0.07 -0.04 -1.98 3.76 0.37 -4.94 115.29 110.14 1cmi s HIS 55 Ca 0.41 -0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 55.14 1cmi s HIS 55 Cb -0.04 -0.07 0.01 0.00 1.11 0.00 0.00 32.58 33.59 1cmi s HIS 55 CO 0.25 -0.19 0.12 0.00 -0.85 0.00 0.00 174.74 174.07 1cmi s ILE 57 N -0.05 0.88 -0.07 0.00 1.09 0.36 -4.89 121.20 118.51 1cmi s ILE 57 Ca -0.01 -0.34 0.03 0.00 -1.10 0.00 0.00 60.65 59.23 1cmi s ILE 57 Cb -0.01 -0.82 0.01 0.00 -1.06 0.00 0.00 42.46 40.57 1cmi s ILE 57 CO 0.00 0.29 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.28 1cmi s VAL 58 N 0.65 1.47 0.00 2.92 1.01 -1.26 -0.47 120.40 124.72 1cmi s VAL 58 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1cmi s VAL 58 Cb -0.14 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1cmi s VAL 58 CO 0.02 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1cmi n GLY 59 N 3.65 -0.83 0.09 4.51 0.00 -0.51 -4.84 105.19 107.26 1cmi n GLY 59 Ca -0.21 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1cmi n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cmi n ARG 60 N -0.42 1.04 -3.69 1.61 1.74 -1.26 -1.55 116.66 114.12 1cmi n ARG 60 Ca 0.00 0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 1cmi n ARG 60 Cb 0.00 -1.42 -0.16 0.00 -1.02 0.00 0.00 32.46 29.86 1cmi n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1cmi s ASN 61 N -5.38 3.50 -0.06 0.55 3.84 -1.26 -4.96 114.94 111.17 1cmi s ASN 61 Ca -0.15 -1.26 -0.29 0.00 0.21 0.00 0.00 52.86 51.37 1cmi s ASN 61 Cb 0.06 -0.65 0.11 0.00 -0.55 0.00 0.00 41.25 40.22 1cmi s ASN 61 CO 0.61 -0.38 0.91 0.72 -2.79 0.00 0.00 177.10 176.18 1cmi s PHE 62 N 1.81 -0.38 0.06 0.43 -0.12 -1.26 -5.17 117.98 113.36 1cmi s PHE 62 Ca 0.06 0.43 0.07 0.00 -0.05 0.00 0.00 56.93 57.43 1cmi s PHE 62 Cb -0.17 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 1cmi s PHE 62 CO -0.21 -0.48 -0.19 0.20 -0.05 0.00 0.00 175.22 174.49 1cmi s GLY 63 N -1.90 1.06 0.06 1.99 0.00 -1.26 -5.15 107.32 102.13 1cmi s GLY 63 Ca 0.01 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 1cmi s GLY 63 CO -0.04 -1.01 0.17 -1.35 0.00 0.00 0.00 173.10 170.88 1cmi s SER 64 N -1.36 0.11 -0.05 1.64 1.04 -1.26 -5.13 113.70 108.69 1cmi s SER 64 Ca 0.05 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 1cmi s SER 64 Cb -0.09 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1cmi s SER 64 CO 0.02 -0.64 0.04 -0.47 0.98 0.00 0.00 173.24 173.17 1cmi s TYR 65 N -3.27 0.22 0.10 5.02 5.04 -1.26 -5.15 117.35 118.06 1cmi s TYR 65 Ca 0.00 0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.72 1cmi s TYR 65 Cb 0.02 -0.54 -0.03 0.00 0.35 0.00 0.00 41.96 41.77 1cmi s TYR 65 CO -0.08 -0.21 0.10 0.14 -1.34 0.00 0.00 175.55 174.16 1cmi s VAL 66 N 1.99 0.14 -0.13 3.14 -7.23 -1.26 -5.15 120.40 111.90 1cmi s VAL 66 Ca 0.03 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1cmi s VAL 66 Cb -0.12 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 1cmi s VAL 66 CO -0.03 -0.64 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.15 1cmi s THR 67 N -3.95 3.55 0.21 5.32 2.01 -1.26 -5.11 115.64 116.41 1cmi s THR 67 Ca 0.13 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 1cmi s THR 67 Cb 0.06 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1cmi s THR 67 CO -0.05 0.52 0.28 -1.38 -0.69 0.00 0.00 174.62 173.30 1cmi s HIS 68 N 0.18 0.72 0.21 4.92 -3.43 -1.26 -4.64 115.29 111.99 1cmi s HIS 68 Ca -0.04 -1.03 -0.27 0.00 -0.80 0.00 0.00 55.06 52.92 1cmi s HIS 68 Cb -0.14 -0.19 -0.09 0.00 -1.43 0.00 0.00 32.58 30.73 1cmi s HIS 68 CO 0.04 -0.78 0.85 -1.21 -2.00 0.00 0.00 174.74 171.64 1cmi s GLU 69 N -4.07 4.67 0.80 -0.38 2.02 -0.98 -5.02 118.70 115.75 1cmi s GLU 69 Ca 0.28 1.29 -0.12 0.00 0.02 0.00 0.00 54.97 56.44 1cmi s GLU 69 Cb 0.04 -3.21 0.08 0.00 0.10 0.00 0.00 34.13 31.13 1cmi s GLU 69 CO 0.08 0.52 1.15 0.95 0.02 0.00 0.00 175.26 177.99 1cmi s THR 70 N -1.22 2.47 0.00 3.63 -4.23 -1.26 -2.07 115.64 112.96 1cmi s THR 70 Ca 0.39 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1cmi s THR 70 Cb -0.24 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1cmi s THR 70 CO 0.28 -0.17 0.00 0.29 -0.54 0.00 0.00 174.62 174.48 1cmi n LYS 71 N -3.44 0.00 -2.64 3.99 5.02 -1.20 -4.83 118.16 115.05 1cmi n LYS 71 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.22 1cmi n LYS 71 Cb 0.52 -3.21 0.01 0.00 -0.02 0.00 0.00 35.03 32.32 1cmi n LYS 71 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1cmi n HIS 72 N -2.00 2.22 -3.76 2.13 8.25 -0.88 -3.92 115.22 117.26 1cmi n HIS 72 Ca 0.00 -3.08 -0.12 0.00 -0.26 0.00 0.00 57.72 54.25 1cmi n HIS 72 Cb 0.00 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 30.72 1cmi n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1cmi s PHE 73 N -3.27 -0.32 -0.17 4.41 2.19 -1.26 -2.35 117.98 117.21 1cmi s PHE 73 Ca 0.38 0.76 -0.15 0.00 0.33 0.00 0.00 56.93 58.25 1cmi s PHE 73 Cb 0.41 0.09 0.05 0.00 -1.31 0.00 0.00 43.02 42.26 1cmi s PHE 73 CO -0.08 -0.18 0.46 -1.50 1.83 0.00 0.00 175.22 175.75 1cmi s ILE 74 N 0.61 -0.00 -0.05 3.12 2.07 -0.70 -1.10 121.20 125.15 1cmi s ILE 74 Ca -0.04 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1cmi s ILE 74 Cb -0.05 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.91 1cmi s ILE 74 CO -0.04 0.01 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.48 1cmi s TYR 75 N 0.48 0.87 0.25 3.50 5.04 0.12 -1.57 117.35 126.04 1cmi s TYR 75 Ca -0.02 -0.27 -0.22 0.00 -2.44 0.00 0.00 57.07 54.13 1cmi s TYR 75 Cb -0.04 -0.75 0.04 0.00 0.35 0.00 0.00 41.96 41.56 1cmi s TYR 75 CO -0.02 -0.22 0.81 -0.59 -1.34 0.00 0.00 175.55 174.19 1cmi s PHE 76 N 0.94 -0.12 0.24 4.97 -0.71 -0.73 -1.58 117.98 120.99 1cmi s PHE 76 Ca -0.11 -0.32 0.06 0.00 -1.04 0.00 0.00 56.93 55.53 1cmi s PHE 76 Cb -0.14 0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1cmi s PHE 76 CO 0.00 -1.15 0.23 0.71 -1.34 0.00 0.00 175.22 173.67 1cmi s TYR 77 N -3.47 3.19 -0.30 3.49 1.51 -0.42 -0.49 117.35 120.86 1cmi s TYR 77 Ca 0.12 -0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 55.99 1cmi s TYR 77 Cb -0.04 -1.45 0.18 0.00 -0.11 0.00 0.00 41.96 40.53 1cmi s TYR 77 CO 0.06 0.50 0.93 -1.17 -1.11 0.00 0.00 175.55 174.76 1cmi s LEU 78 N -3.83 -0.71 0.00 -1.29 2.96 -0.13 -2.44 118.68 113.24 1cmi s LEU 78 Ca 0.33 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1cmi s LEU 78 Cb -0.08 1.65 0.00 0.00 0.50 0.00 0.00 46.19 48.25 1cmi s LEU 78 CO 0.26 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1cmi n GLY 79 N 5.34 0.43 1.64 7.98 0.00 -1.26 -1.85 105.19 117.47 1cmi n GLY 79 Ca -0.06 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1cmi n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cmi n GLN 80 N 0.04 2.21 -4.34 1.61 0.00 -1.26 -4.88 117.38 110.76 1cmi n GLN 80 Ca 0.00 -1.86 -0.24 0.00 0.00 0.00 0.00 57.00 54.90 1cmi n GLN 80 Cb 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 30.24 28.32 1cmi n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1cmi s VAL 81 N -2.03 1.72 -0.01 -0.39 0.11 -0.77 -4.76 120.40 114.27 1cmi s VAL 81 Ca 0.34 -1.50 0.03 0.00 -2.93 0.00 0.00 61.98 57.93 1cmi s VAL 81 Cb 0.28 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1cmi s VAL 81 CO 0.08 -0.02 -0.09 0.00 -3.33 0.00 0.00 175.10 171.74 1cmi s ALA 82 N -1.10 2.92 -0.06 1.54 0.00 -0.60 -0.96 121.76 123.51 1cmi s ALA 82 Ca 0.07 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1cmi s ALA 82 Cb -0.10 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 1cmi s ALA 82 CO 0.04 0.60 -0.20 0.42 0.00 0.00 0.00 175.76 176.62 1cmi s ILE 83 N -0.93 1.66 -0.16 0.00 1.01 0.35 -1.43 121.20 121.70 1cmi s ILE 83 Ca 0.15 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1cmi s ILE 83 Cb -0.11 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.96 1cmi s ILE 83 CO 0.05 0.47 -0.16 -0.22 0.00 0.00 0.00 174.94 175.08 1cmi s LEU 84 N 0.08 1.87 -0.05 2.97 2.96 0.38 -1.78 118.68 125.11 1cmi s LEU 84 Ca -0.07 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1cmi s LEU 84 Cb -0.13 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.29 1cmi s LEU 84 CO 0.04 -0.04 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.79 1cmi s LEU 85 N 1.41 1.00 0.07 -0.68 2.96 -0.61 -0.49 118.68 122.35 1cmi s LEU 85 Ca 0.05 -0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 1cmi s LEU 85 Cb -0.13 -0.41 0.04 0.00 0.50 0.00 0.00 46.19 46.19 1cmi s LEU 85 CO -0.12 -0.12 0.43 0.72 -1.32 0.00 0.00 176.35 175.95 1cmi s PHE 86 N 1.37 -0.28 -0.11 5.38 -0.71 -0.66 -1.71 117.98 121.26 1cmi s PHE 86 Ca -0.04 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.02 1cmi s PHE 86 Cb -0.13 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 41.92 1cmi s PHE 86 CO -0.02 -0.63 -0.16 0.21 -1.34 0.00 0.00 175.22 173.28 1cmi s LYS 87 N -2.94 3.14 0.00 1.99 2.20 -0.99 -0.48 119.74 122.66 1cmi s LYS 87 Ca -0.02 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1cmi s LYS 87 Cb 0.00 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 1cmi s LYS 87 CO -0.06 0.28 0.00 -1.13 -0.36 0.00 0.00 175.35 174.09 1cmi n SER 88 N 3.29 0.00 0.00 1.43 3.41 -0.55 -2.32 113.62 118.88 1cmi n SER 88 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1cmi n SER 88 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1cmi n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49