#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k85 h GLN 6 N 0.00 0.00 -0.16 1.43 1.08 -2.05 -2.72 115.11 112.69 2k85 h GLN 6 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2k85 h GLN 6 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2k85 h GLN 6 CO 0.00 0.45 0.11 0.37 -0.95 0.00 0.00 178.83 178.81 2k85 h GLN 7 N 0.00 0.16 -0.01 1.46 5.75 -2.03 0.32 115.11 120.75 2k85 h GLN 7 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2k85 h GLN 7 Cb 0.82 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 2k85 h GLN 7 CO 0.06 0.11 0.01 0.82 -2.65 0.00 0.00 178.83 177.17 2k85 h ILE 8 N 0.16 1.00 0.00 2.39 1.08 -1.92 -0.36 117.51 119.87 2k85 h ILE 8 Ca 0.06 -0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.20 2k85 h ILE 8 Cb 0.05 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 2k85 h ILE 8 CO -0.01 0.00 -1.89 0.00 -0.69 0.00 0.00 178.15 175.56 2k85 n ALA 9 N -2.54 0.99 -0.25 1.87 0.00 -0.34 -3.96 120.51 116.28 2k85 n ALA 9 Ca -0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 2k85 n ALA 9 Cb 0.10 -0.13 0.09 0.00 0.00 0.00 0.00 19.45 19.51 2k85 n ALA 9 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2k85 h THR 10 N -1.00 1.26 -0.55 0.00 1.35 -0.99 0.65 112.91 113.63 2k85 h THR 10 Ca -0.50 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.43 2k85 h THR 10 Cb 1.41 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 2k85 h THR 10 CO -0.30 0.34 0.06 0.00 -0.25 0.00 0.00 175.52 175.37 2k85 h ALA 11 N 1.19 0.74 -0.24 6.62 0.00 -1.28 0.39 119.26 126.68 2k85 h ALA 11 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k85 h ALA 11 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k85 h ALA 11 CO -0.01 0.51 0.09 -0.22 0.00 0.00 0.00 179.25 179.62 2k85 h LYS 12 N 0.83 0.35 -0.30 0.00 3.64 -1.57 0.05 116.57 119.57 2k85 h LYS 12 Ca 0.16 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2k85 h LYS 12 Cb 0.46 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2k85 h LYS 12 CO 0.02 0.40 0.00 0.22 -2.27 0.00 0.00 179.45 177.82 2k85 h ASP 13 N 0.23 -0.12 0.13 4.20 1.82 0.68 0.96 116.42 124.32 2k85 h ASP 13 Ca 0.08 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2k85 h ASP 13 Cb 0.18 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2k85 h ASP 13 CO -0.01 -0.02 -0.06 0.11 -1.61 0.00 0.00 179.24 177.65 2k85 h LYS 14 N 0.09 -0.17 -0.86 0.28 6.56 -0.15 -1.56 116.57 120.76 2k85 h LYS 14 Ca 0.15 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.81 2k85 h LYS 14 Cb 0.19 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.83 2k85 h LYS 14 CO -0.24 -0.11 0.53 -0.92 -2.06 0.00 0.00 179.45 176.64 2k85 h TYR 15 N -0.17 0.98 -0.97 -1.35 3.20 -0.31 0.80 116.97 119.14 2k85 h TYR 15 Ca -0.02 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.01 2k85 h TYR 15 Cb 0.14 -0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.00 2k85 h TYR 15 CO -0.07 0.49 0.60 0.93 -1.64 0.00 0.00 178.16 178.46 2k85 h GLU 16 N 0.96 0.88 -0.15 1.82 5.08 0.12 0.87 114.58 124.17 2k85 h GLU 16 Ca 0.38 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.47 2k85 h GLU 16 Cb 0.19 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.25 2k85 h GLU 16 CO -0.18 0.58 -0.75 2.35 -1.00 0.00 0.00 179.01 180.01 2k85 h TRP 17 N 0.91 0.96 -0.49 4.33 7.01 0.33 -2.38 115.95 126.62 2k85 h TRP 17 Ca 0.50 -0.42 0.09 0.00 2.11 0.00 0.00 58.89 61.17 2k85 h TRP 17 Cb 0.55 -0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 27.39 2k85 h TRP 17 CO -0.02 1.23 0.08 -0.07 -2.79 0.00 0.00 178.44 176.88 2k85 h LEU 18 N 0.49 -0.04 -0.93 0.65 -0.00 0.24 1.56 115.31 117.29 2k85 h LEU 18 Ca -0.04 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2k85 h LEU 18 Cb 1.37 0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 42.12 2k85 h LEU 18 CO 0.15 0.01 0.59 0.58 -0.00 0.00 0.00 178.44 179.77 2k85 h VAL 19 N 0.21 1.25 0.00 1.22 2.07 -0.95 -1.06 116.25 118.99 2k85 h VAL 19 Ca 0.25 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2k85 h VAL 19 Cb 0.34 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2k85 h VAL 19 CO -0.34 0.24 -0.33 0.77 0.02 0.00 0.00 177.57 177.94 2k85 h SER 20 N 1.27 0.00 1.78 0.57 4.64 0.09 1.00 113.55 122.90 2k85 h SER 20 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2k85 h SER 20 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2k85 h SER 20 CO -0.07 0.33 -0.12 0.08 -0.87 0.00 0.00 176.83 176.18 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.28 -3.39 114.38 116.15 2k85 h ARG 21 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k85 h ARG 21 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 2k85 h ARG 21 CO 0.04 0.00 -0.12 -0.89 0.10 0.00 0.00 179.97 179.10 2k85 n ILE 22 N -2.89 0.27 -2.23 0.08 2.08 -0.47 -4.97 119.36 111.23 2k85 n ILE 22 Ca 0.04 0.30 -0.43 0.00 0.56 0.00 0.00 62.75 63.22 2k85 n ILE 22 Cb 0.51 -1.46 -0.02 0.00 -0.75 0.00 0.00 39.64 37.92 2k85 n ILE 22 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2k85 s VAL 23 N -1.31 3.84 -0.06 1.39 1.01 0.34 -4.88 120.40 120.74 2k85 s VAL 23 Ca -0.04 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 2k85 s VAL 23 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2k85 s VAL 23 CO 0.05 -0.40 -0.19 0.29 0.00 0.00 0.00 175.10 174.86 2k85 n LYS 24 N 7.63 0.29 -0.27 2.72 4.76 -1.26 -4.16 118.16 127.86 2k85 n LYS 24 Ca 0.17 0.12 0.07 0.00 -2.87 0.00 0.00 58.31 55.80 2k85 n LYS 24 Cb 0.46 -1.00 0.21 0.00 -1.84 0.00 0.00 35.03 32.85 2k85 n LYS 24 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2k85 n ASN 25 N -3.97 2.63 0.00 4.39 2.04 -1.26 -4.89 115.26 114.19 2k85 n ASN 25 Ca -0.10 -2.08 0.00 0.00 -0.44 0.00 0.00 54.58 51.96 2k85 n ASN 25 Cb 0.34 -0.35 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k85 n HIS 26 N 0.77 0.00 -0.33 -2.53 1.44 -1.26 -4.71 115.22 108.60 2k85 n HIS 26 Ca 0.15 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.93 2k85 n HIS 26 Cb 0.44 -1.45 0.31 0.00 0.12 0.00 0.00 29.99 29.41 2k85 n HIS 26 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2k85 n ASN 27 N 0.00 4.31 -3.69 4.39 3.02 -1.26 -4.87 115.26 117.16 2k85 n ASN 27 Ca 0.00 -2.53 -0.30 0.00 -0.03 0.00 0.00 54.58 51.72 2k85 n ASN 27 Cb 0.00 -0.58 0.24 0.00 -0.61 0.00 0.00 39.78 38.83 2k85 n ASN 27 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k85 n GLU 28 N 0.71 -2.56 -3.91 3.52 4.71 -1.26 -5.09 120.64 116.76 2k85 n GLU 28 Ca 0.21 -1.88 -0.28 0.00 -0.01 0.00 0.00 57.16 55.21 2k85 n GLU 28 Cb 0.86 -1.57 -0.17 0.00 -1.01 0.00 0.00 31.44 29.55 2k85 n GLU 28 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2k85 s ASN 29 N -4.98 2.49 0.11 1.62 0.01 -1.26 -5.07 114.94 107.87 2k85 s ASN 29 Ca 0.74 -0.47 -0.22 0.00 -0.71 0.00 0.00 52.86 52.20 2k85 s ASN 29 Cb -0.05 -0.90 -0.05 0.00 0.41 0.00 0.00 41.25 40.66 2k85 s ASN 29 CO 0.55 -0.14 1.36 1.87 -1.51 0.00 0.00 177.10 179.23 2k85 n TRP 30 N 4.90 -0.31 0.02 2.20 -0.00 -1.26 -1.33 117.44 121.67 2k85 n TRP 30 Ca -0.13 0.89 -0.10 0.00 -0.00 0.00 0.00 57.50 58.16 2k85 n TRP 30 Cb 0.49 -0.55 -0.04 0.00 -0.00 0.00 0.00 31.31 31.21 2k85 n TRP 30 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k85 h LEU 31 N 0.00 -0.48 -1.23 5.87 3.38 -1.98 0.36 115.31 121.21 2k85 h LEU 31 Ca 0.11 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2k85 h LEU 31 Cb 0.29 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k85 h LEU 31 CO -0.67 -0.21 -0.30 0.28 0.09 0.00 0.00 178.44 177.63 2k85 h SER 32 N -0.23 0.00 1.23 -0.43 0.02 -1.90 -0.90 113.55 111.34 2k85 h SER 32 Ca 0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2k85 h SER 32 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2k85 h SER 32 CO -0.21 0.30 -0.58 0.58 -1.14 0.00 0.00 176.83 175.78 2k85 h VAL 33 N 0.00 1.06 -0.30 2.27 2.07 -0.13 -2.36 116.25 118.85 2k85 h VAL 33 Ca -0.00 -2.33 -0.13 0.00 0.82 0.00 0.00 66.70 65.06 2k85 h VAL 33 Cb 0.71 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2k85 h VAL 33 CO 0.04 0.57 -0.35 -1.28 0.02 0.00 0.00 177.57 176.57 2k85 h SER 34 N 0.00 0.71 -0.13 0.57 0.87 0.53 0.79 113.55 116.90 2k85 h SER 34 Ca -0.01 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.30 2k85 h SER 34 Cb 1.36 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 2k85 h SER 34 CO 0.08 1.00 -0.21 0.03 -0.53 0.00 0.00 176.83 177.20 2k85 h ARG 35 N 0.57 -0.25 0.00 2.24 2.47 -1.04 0.60 114.38 118.97 2k85 h ARG 35 Ca 0.06 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2k85 h ARG 35 Cb 0.87 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 2k85 h ARG 35 CO 0.08 -0.17 0.00 1.63 0.56 0.00 0.00 179.97 182.07 2k85 n LYS 36 N -5.34 0.00 -0.26 0.04 5.02 -0.90 -3.68 118.16 113.03 2k85 n LYS 36 Ca -0.03 0.58 0.27 0.00 -2.02 0.00 0.00 58.31 57.12 2k85 n LYS 36 Cb 0.26 -1.39 0.64 0.00 -0.02 0.00 0.00 35.03 34.52 2k85 n LYS 36 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2k85 h MET 37 N 0.00 0.16 0.00 1.97 2.86 0.83 -1.96 114.93 118.79 2k85 h MET 37 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k85 h MET 37 Cb 0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2k85 h MET 37 CO 0.00 0.10 -0.01 -0.56 1.06 0.00 0.00 176.91 177.51 2k85 h GLN 38 N 0.16 0.00 0.00 1.72 3.07 0.13 0.35 115.11 120.54 2k85 h GLN 38 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 2k85 h GLN 38 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.28 2k85 h GLN 38 CO -0.11 0.01 0.00 0.00 0.09 0.00 0.00 178.83 178.82 2k85 n ALA 39 N -2.12 1.55 -2.79 0.06 0.00 -0.74 -4.64 120.51 111.84 2k85 n ALA 39 Ca -0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2k85 n ALA 39 Cb 0.11 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 2k85 n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k85 s SER 40 N -3.22 5.52 0.25 0.00 0.01 0.12 -5.01 113.70 111.37 2k85 s SER 40 Ca 0.05 0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.42 2k85 s SER 40 Cb 0.08 -1.76 0.36 0.00 0.21 0.00 0.00 66.02 64.90 2k85 s SER 40 CO 0.24 0.30 1.87 1.55 0.41 0.00 0.00 173.24 177.61 2k85 h PRO 41 N 5.76 1.04 -0.56 12.44 0.13 -1.83 -2.53 132.00 146.45 2k85 h PRO 41 Ca -0.45 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 2k85 h PRO 41 Cb 1.19 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 2k85 h PRO 41 CO 0.61 0.69 0.07 0.93 -0.23 0.00 0.00 178.00 180.06 2k85 h GLU 42 N 1.07 0.90 -0.08 0.86 4.39 -1.95 0.20 114.58 119.98 2k85 h GLU 42 Ca 0.40 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2k85 h GLU 42 Cb 0.15 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k85 h GLU 42 CO -0.17 0.85 0.04 -0.92 -1.16 0.00 0.00 179.01 177.65 2k85 h TYR 43 N 0.85 0.11 0.08 4.33 5.03 -1.71 -2.53 116.97 123.14 2k85 h TYR 43 Ca 0.17 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2k85 h TYR 43 Cb 0.41 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 2k85 h TYR 43 CO 0.02 0.16 -0.19 1.96 -1.32 0.00 0.00 178.16 178.80 2k85 h GLN 44 N 0.02 -0.29 -0.96 1.82 1.08 -0.95 -1.87 115.11 113.96 2k85 h GLN 44 Ca 0.03 0.02 0.31 0.00 -1.45 0.00 0.00 58.65 57.55 2k85 h GLN 44 Cb 0.09 0.07 -0.16 0.00 -0.05 0.00 0.00 27.48 27.43 2k85 h GLN 44 CO -0.00 -0.19 0.38 -0.44 -0.95 0.00 0.00 178.83 177.62 2k85 h ASP 45 N -0.30 0.17 -0.11 1.46 3.32 -0.68 0.53 116.42 120.81 2k85 h ASP 45 Ca -0.01 0.22 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 2k85 h ASP 45 Cb 0.29 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2k85 h ASP 45 CO -0.08 -0.23 -0.49 0.22 -1.72 0.00 0.00 179.24 176.94 2k85 h TYR 46 N 0.18 0.82 0.00 4.55 3.20 -1.24 -1.58 116.97 122.90 2k85 h TYR 46 Ca 0.68 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 2k85 h TYR 46 Cb 1.54 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 2k85 h TYR 46 CO -0.16 1.02 -0.10 0.28 -1.64 0.00 0.00 178.16 177.56 2k85 h VAL 47 N 0.53 0.19 0.05 1.81 2.07 0.39 0.44 116.25 121.73 2k85 h VAL 47 Ca 0.03 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 2k85 h VAL 47 Cb 1.04 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2k85 h VAL 47 CO 0.10 0.10 -0.02 0.22 0.02 0.00 0.00 177.57 177.98 2k85 h TYR 48 N 0.00 -0.06 0.66 1.57 3.20 0.16 -2.95 116.97 119.55 2k85 h TYR 48 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2k85 h TYR 48 Cb 0.89 0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.18 2k85 h TYR 48 CO 0.00 0.43 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.56 2k85 h LEU 49 N -0.58 -0.75 0.00 2.82 3.38 -1.26 -3.44 115.31 115.48 2k85 h LEU 49 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k85 h LEU 49 Cb 0.52 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k85 h LEU 49 CO 0.01 -0.37 0.00 -0.62 0.09 0.00 0.00 178.44 177.55 2k85 n GLU 50 N -5.37 0.00 0.00 1.13 -0.58 0.14 -5.11 120.64 110.85 2k85 n GLU 50 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2k85 n GLU 50 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 2k85 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k85 n GLY 51 N 3.24 2.35 0.31 0.62 0.00 -1.11 -4.93 105.19 105.66 2k85 n GLY 51 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 46.02 45.14 2k85 n GLY 51 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k85 h THR 52 N 0.77 1.18 -0.38 2.61 2.02 -1.92 -0.84 112.91 116.35 2k85 h THR 52 Ca 0.00 -0.51 -0.16 0.00 0.77 0.00 0.00 66.41 66.51 2k85 h THR 52 Cb 0.00 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2k85 h THR 52 CO 0.00 0.21 -0.40 1.56 0.37 0.00 0.00 175.52 177.26 2k85 h GLN 53 N 0.71 0.93 -0.02 6.66 4.20 -1.98 0.35 115.11 125.96 2k85 h GLN 53 Ca 0.18 -0.49 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 2k85 h GLN 53 Cb 0.10 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2k85 h GLN 53 CO -0.02 1.15 -0.67 0.87 -0.67 0.00 0.00 178.83 179.49 2k85 h LYS 54 N 0.75 0.10 -0.16 1.46 1.57 -1.88 0.41 116.57 118.82 2k85 h LYS 54 Ca 0.06 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2k85 h LYS 54 Cb 0.99 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2k85 h LYS 54 CO 0.10 0.73 -0.47 0.00 -0.57 0.00 0.00 179.45 179.24 2k85 h ALA 55 N 1.25 0.90 0.19 3.86 0.00 -0.93 0.45 119.26 124.98 2k85 h ALA 55 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2k85 h ALA 55 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k85 h ALA 55 CO 0.09 0.65 -0.09 -0.22 0.00 0.00 0.00 179.25 179.68 2k85 h LYS 56 N 0.33 -0.25 -1.01 0.00 3.64 0.10 0.49 116.57 119.87 2k85 h LYS 56 Ca 0.02 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.65 2k85 h LYS 56 Cb 0.95 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.72 2k85 h LYS 56 CO 0.08 0.10 0.62 -0.22 -2.27 0.00 0.00 179.45 177.76 2k85 h LYS 57 N -0.64 0.57 -0.25 1.90 1.63 -0.15 0.32 116.57 119.95 2k85 h LYS 57 Ca -0.03 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.64 2k85 h LYS 57 Cb 0.46 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2k85 h LYS 57 CO 0.04 0.38 -0.25 1.25 -3.45 0.00 0.00 179.45 177.42 2k85 h LEU 58 N 0.59 0.65 -0.55 5.20 5.85 0.20 -1.00 115.31 126.25 2k85 h LEU 58 Ca 0.60 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2k85 h LEU 58 Cb 1.18 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 2k85 h LEU 58 CO -0.38 0.99 0.09 0.15 -0.34 0.00 0.00 178.44 178.95 2k85 h PHE 59 N 0.33 0.14 -0.12 1.25 3.57 0.18 0.56 116.94 122.85 2k85 h PHE 59 Ca 0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2k85 h PHE 59 Cb 0.80 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2k85 h PHE 59 CO 0.07 -0.04 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.88 2k85 h LEU 60 N 0.22 -0.48 -0.22 0.59 -0.00 -0.22 0.43 115.31 115.63 2k85 h LEU 60 Ca 0.29 0.09 0.05 0.00 -0.00 0.00 0.00 57.88 58.31 2k85 h LEU 60 Cb 0.42 0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.25 2k85 h LEU 60 CO -0.39 -0.20 -0.15 1.56 -0.00 0.00 0.00 178.44 179.26 2k85 h GLN 61 N -0.20 -0.13 -0.55 1.13 1.08 -0.49 -0.09 115.11 115.85 2k85 h GLN 61 Ca 0.09 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2k85 h GLN 61 Cb 0.33 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 2k85 h GLN 61 CO -0.23 -0.09 0.14 1.25 -0.95 0.00 0.00 178.83 178.95 2k85 h HIS 62 N -0.14 0.86 -0.62 2.96 2.76 -0.52 -0.28 115.15 120.18 2k85 h HIS 62 Ca 0.12 -0.08 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 2k85 h HIS 62 Cb 0.33 -0.25 -0.09 0.00 1.55 0.00 0.00 27.41 28.94 2k85 h HIS 62 CO -0.31 0.72 0.09 0.82 -1.30 0.00 0.00 177.93 177.95 2k85 h ILE 63 N 0.81 0.57 0.32 6.26 1.08 0.70 0.44 117.51 127.70 2k85 h ILE 63 Ca 0.18 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2k85 h ILE 63 Cb 0.28 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 2k85 h ILE 63 CO -0.00 0.04 -0.27 -0.74 -0.69 0.00 0.00 178.15 176.48 2k85 h HIS 64 N 0.20 -0.73 -0.75 1.37 -0.00 0.45 -1.19 115.15 114.51 2k85 h HIS 64 Ca 0.33 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.85 2k85 h HIS 64 Cb 0.51 0.28 -0.11 0.00 -0.00 0.00 0.00 27.41 28.10 2k85 h HIS 64 CO -0.29 -0.40 0.23 0.00 -0.00 0.00 0.00 177.93 177.46 2k85 h ARG 65 N -0.61 0.32 -0.12 5.26 3.08 -0.18 0.34 114.38 122.46 2k85 h ARG 65 Ca -0.02 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.05 2k85 h ARG 65 Cb 0.54 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2k85 h ARG 65 CO -0.03 0.21 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.86 2k85 h LEU 66 N 0.33 -0.49 -0.14 3.04 3.38 0.28 -1.64 115.31 120.07 2k85 h LEU 66 Ca 0.42 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.48 2k85 h LEU 66 Cb 0.70 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2k85 h LEU 66 CO -0.47 -0.20 0.08 0.11 0.09 0.00 0.00 178.44 178.04 2k85 h LYS 67 N -0.20 0.20 -0.61 1.13 1.57 0.01 -3.44 116.57 115.23 2k85 h LYS 67 Ca 0.09 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2k85 h LYS 67 Cb 0.33 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 32.41 2k85 h LYS 67 CO -0.24 0.20 -0.21 -3.38 -0.57 0.00 0.00 179.45 175.25 2k85 s HIS 68 N -5.90 -1.13 -2.25 -1.35 -3.43 0.11 -5.11 115.29 96.23 2k85 s HIS 68 Ca -0.13 0.55 0.30 0.00 -0.80 0.00 0.00 55.06 54.97 2k85 s HIS 68 Cb 0.07 0.20 1.47 0.00 -1.43 0.00 0.00 32.58 32.89 2k85 s HIS 68 CO 0.69 -0.68 1.98 -1.91 -2.00 0.00 0.00 174.74 172.82