#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k85 n GLN 6 N 0.00 1.09 0.00 4.33 10.64 -1.26 -2.92 117.38 129.25 2k85 n GLN 6 Ca 0.00 -0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2k85 n GLN 6 Cb 0.00 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 2k85 n GLN 6 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2k85 n GLN 7 N -0.32 0.41 0.29 2.61 -0.06 -1.26 -4.48 117.38 114.56 2k85 n GLN 7 Ca 0.01 0.00 0.19 0.00 -2.00 0.00 0.00 57.00 55.20 2k85 n GLN 7 Cb 0.08 -0.86 0.95 0.00 -4.06 0.00 0.00 30.24 26.36 2k85 n GLN 7 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2k85 h ILE 8 N 0.00 0.00 0.00 1.69 2.04 -1.99 -2.44 117.51 116.82 2k85 h ILE 8 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2k85 h ILE 8 Cb 0.71 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2k85 h ILE 8 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 177.99 2k85 n ALA 9 N -2.02 2.44 0.32 1.87 0.00 -1.15 -4.71 120.51 117.26 2k85 n ALA 9 Ca -0.01 -0.15 0.22 0.00 0.00 0.00 0.00 53.44 53.49 2k85 n ALA 9 Cb 0.14 0.14 1.13 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.16 0.00 -0.37 0.00 1.35 -1.76 -0.52 112.91 111.45 2k85 h THR 10 Ca 0.00 -0.06 -0.12 0.00 -0.55 0.00 0.00 66.41 65.67 2k85 h THR 10 Cb 0.16 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2k85 h THR 10 CO 0.00 0.00 -0.25 0.00 -0.25 0.00 0.00 175.52 175.02 2k85 h ALA 11 N 2.00 0.53 -0.04 6.62 0.00 -1.67 0.44 119.26 127.15 2k85 h ALA 11 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k85 h ALA 11 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k85 h ALA 11 CO 0.00 0.53 0.02 -0.22 0.00 0.00 0.00 179.25 179.58 2k85 h LYS 12 N 0.63 0.06 -0.67 0.00 3.64 -1.35 0.92 116.57 119.81 2k85 h LYS 12 Ca 0.07 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2k85 h LYS 12 Cb 0.82 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 2k85 h LYS 12 CO 0.07 0.23 0.26 0.22 -2.27 0.00 0.00 179.45 177.96 2k85 h ASP 13 N -0.11 0.26 -0.31 4.20 3.58 -1.06 0.72 116.42 123.71 2k85 h ASP 13 Ca 0.01 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2k85 h ASP 13 Cb 0.19 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2k85 h ASP 13 CO -0.00 0.14 -0.06 0.50 -2.88 0.00 0.00 179.24 176.93 2k85 h LYS 14 N 0.44 0.59 -0.90 0.28 3.64 0.03 -2.23 116.57 118.42 2k85 h LYS 14 Ca 0.35 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2k85 h LYS 14 Cb 0.46 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 2k85 h LYS 14 CO -0.34 0.77 0.57 -0.92 -2.27 0.00 0.00 179.45 177.27 2k85 h TYR 15 N 0.37 1.07 -0.52 1.91 3.20 0.27 0.12 116.97 123.39 2k85 h TYR 15 Ca 0.08 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.08 2k85 h TYR 15 Cb 0.55 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2k85 h TYR 15 CO 0.05 0.57 0.35 0.93 -1.64 0.00 0.00 178.16 178.42 2k85 h GLU 16 N 1.07 0.28 0.09 1.82 5.08 0.76 0.38 114.58 124.05 2k85 h GLU 16 Ca 0.38 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2k85 h GLU 16 Cb 0.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k85 h GLU 16 CO -0.15 0.18 -0.04 2.35 -1.00 0.00 0.00 179.01 180.35 2k85 h TRP 17 N 0.28 -0.11 -0.75 4.33 7.01 -0.26 -2.49 115.95 123.95 2k85 h TRP 17 Ca 0.24 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.41 2k85 h TRP 17 Cb 0.57 0.04 -0.13 0.00 -2.10 0.00 0.00 29.16 27.54 2k85 h TRP 17 CO -0.00 0.32 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.85 2k85 h LEU 18 N -0.59 -0.44 -0.54 0.65 -0.00 0.13 2.39 115.31 116.91 2k85 h LEU 18 Ca -0.01 0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 58.03 2k85 h LEU 18 Cb 0.48 0.38 -0.02 0.00 -0.00 0.00 0.00 40.66 41.50 2k85 h LEU 18 CO 0.02 -0.20 0.17 1.62 -0.00 0.00 0.00 178.44 180.05 2k85 h VAL 19 N 0.07 1.23 0.00 1.22 3.04 -0.47 -1.55 116.25 119.79 2k85 h VAL 19 Ca 0.40 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2k85 h VAL 19 Cb 0.69 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2k85 h VAL 19 CO -0.70 0.29 0.00 0.77 -1.01 0.00 0.00 177.57 176.92 2k85 h SER 20 N 0.74 0.00 0.57 3.17 4.64 0.02 0.61 113.55 123.30 2k85 h SER 20 Ca 0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 2k85 h SER 20 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2k85 h SER 20 CO -0.01 0.00 -0.61 -0.09 -0.87 0.00 0.00 176.83 175.25 2k85 h ARG 21 N 0.00 0.04 0.00 4.77 2.43 0.48 -3.35 114.38 118.75 2k85 h ARG 21 Ca 0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2k85 h ARG 21 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2k85 h ARG 21 CO 0.00 0.64 -1.24 -0.89 -1.51 0.00 0.00 179.97 176.97 2k85 n ILE 22 N -3.82 1.46 -2.35 1.20 2.08 -0.74 -4.97 119.36 112.23 2k85 n ILE 22 Ca -0.01 0.05 -0.42 0.00 0.56 0.00 0.00 62.75 62.93 2k85 n ILE 22 Cb 0.61 -2.19 -0.03 0.00 -0.75 0.00 0.00 39.64 37.28 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 -2.75 3.92 0.06 1.39 1.01 0.21 -4.86 120.40 119.38 2k85 s VAL 23 Ca -0.29 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2k85 s VAL 23 Cb 0.06 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2k85 s VAL 23 CO 0.41 0.05 0.00 1.17 0.00 0.00 0.00 175.10 176.72 2k85 n LYS 24 N 4.67 0.00 -0.17 2.72 3.00 -1.26 -4.17 118.16 122.95 2k85 n LYS 24 Ca 0.11 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.52 2k85 n LYS 24 Cb 0.45 -0.16 0.28 0.00 0.00 0.00 0.00 35.03 35.60 2k85 n LYS 24 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2k85 n ASN 25 N -2.87 2.60 0.00 3.14 5.15 -1.26 -4.90 115.26 117.11 2k85 n ASN 25 Ca 0.00 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.09 2k85 n ASN 25 Cb 0.12 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k85 n HIS 26 N 0.92 0.00 0.38 1.20 1.44 -1.26 -4.70 115.22 113.20 2k85 n HIS 26 Ca 0.17 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.93 2k85 n HIS 26 Cb 0.45 -1.23 0.18 0.00 0.12 0.00 0.00 29.99 29.52 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 2.76 -3.45 4.39 3.02 -1.26 -4.82 115.26 115.90 2k85 n ASN 27 Ca 0.00 -2.29 -0.25 0.00 -0.03 0.00 0.00 54.58 52.01 2k85 n ASN 27 Cb 0.00 -0.47 0.20 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.37 -2.37 -3.86 3.52 4.71 -1.26 -5.09 120.64 116.66 2k85 n GLU 28 Ca 0.13 -1.55 -0.25 0.00 -0.01 0.00 0.00 57.16 55.47 2k85 n GLU 28 Cb 0.56 -1.33 -0.17 0.00 -1.01 0.00 0.00 31.44 29.49 2k85 n GLU 28 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2k85 s ASN 29 N -4.29 1.98 0.20 1.62 3.84 -1.26 -5.05 114.94 111.98 2k85 s ASN 29 Ca 0.61 -0.23 -0.22 0.00 0.21 0.00 0.00 52.86 53.24 2k85 s ASN 29 Cb -0.05 -0.69 0.14 0.00 -0.55 0.00 0.00 41.25 40.10 2k85 s ASN 29 CO 0.46 -0.15 1.55 -0.25 -2.79 0.00 0.00 177.10 175.92 2k85 h TRP 30 N 8.23 -1.27 0.19 0.43 -0.00 -1.97 0.30 115.95 121.86 2k85 h TRP 30 Ca -0.26 0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.73 2k85 h TRP 30 Cb 1.13 0.69 0.00 0.00 -0.00 0.00 0.00 29.16 30.98 2k85 h TRP 30 CO 0.47 -0.40 -0.09 -0.07 -0.00 0.00 0.00 178.44 178.35 2k85 h LEU 31 N -0.04 -0.22 -0.88 0.65 -0.00 -1.98 0.29 115.31 113.12 2k85 h LEU 31 Ca 0.28 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 58.21 2k85 h LEU 31 Cb 0.55 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.20 2k85 h LEU 31 CO -0.92 -0.13 0.55 0.28 -0.00 0.00 0.00 178.44 178.22 2k85 h SER 32 N -0.29 0.85 0.51 -0.43 0.02 -1.73 0.34 113.55 112.81 2k85 h SER 32 Ca -0.03 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2k85 h SER 32 Cb 0.22 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2k85 h SER 32 CO 0.04 0.54 -0.34 0.58 -1.14 0.00 0.00 176.83 176.51 2k85 h VAL 33 N 0.98 1.04 -0.02 2.27 2.07 0.23 -0.83 116.25 122.00 2k85 h VAL 33 Ca 0.39 -1.24 -0.17 0.00 0.82 0.00 0.00 66.70 66.50 2k85 h VAL 33 Cb 0.21 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2k85 h VAL 33 CO -0.19 0.33 -0.77 0.28 0.02 0.00 0.00 177.57 177.24 2k85 h SER 34 N 0.00 0.22 0.09 0.57 0.02 0.11 0.69 113.55 115.25 2k85 h SER 34 Ca -0.00 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2k85 h SER 34 Cb 0.68 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2k85 h SER 34 CO 0.04 0.91 -0.30 0.03 -1.14 0.00 0.00 176.83 176.37 2k85 h ARG 35 N 0.11 -0.49 0.20 3.45 2.47 0.47 0.32 114.38 120.91 2k85 h ARG 35 Ca -0.03 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k85 h ARG 35 Cb 1.35 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.77 2k85 h ARG 35 CO 0.12 -0.33 -0.15 0.87 0.56 0.00 0.00 179.97 181.04 2k85 h LYS 36 N -0.51 -0.33 0.00 0.04 1.79 -1.07 -3.16 116.57 113.33 2k85 h LYS 36 Ca 0.04 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2k85 h LYS 36 Cb 0.55 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2k85 h LYS 36 CO -0.20 -0.22 -0.13 0.52 -1.08 0.00 0.00 179.45 178.35 2k85 h MET 37 N -0.35 0.00 0.00 3.15 2.86 0.58 -2.88 114.93 118.29 2k85 h MET 37 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2k85 h MET 37 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2k85 h MET 37 CO -0.00 0.13 -0.03 -0.56 1.06 0.00 0.00 176.91 177.50 2k85 h GLN 38 N 0.00 0.00 0.00 1.72 -0.00 -0.33 0.50 115.11 117.00 2k85 h GLN 38 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2k85 h GLN 38 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 2k85 h GLN 38 CO 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 178.83 178.87 2k85 n ALA 39 N -2.12 2.47 -3.83 0.06 0.00 -1.09 -4.62 120.51 111.38 2k85 n ALA 39 Ca -0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 2k85 n ALA 39 Cb 0.23 -1.26 -0.17 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.63 2.69 0.61 0.00 0.01 0.17 -4.99 113.70 110.55 2k85 s SER 40 Ca 0.24 -0.49 0.31 0.00 1.31 0.00 0.00 55.95 57.32 2k85 s SER 40 Cb 0.11 -1.21 1.75 0.00 0.21 0.00 0.00 66.02 66.88 2k85 s SER 40 CO 0.19 -0.00 2.11 1.55 0.41 0.00 0.00 173.24 177.50 2k85 h PRO 41 N 7.68 0.00 0.52 12.44 0.13 -1.82 -1.83 132.00 149.11 2k85 h PRO 41 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2k85 h PRO 41 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k85 h PRO 41 CO 0.53 0.00 -0.33 0.93 -0.23 0.00 0.00 178.00 178.90 2k85 h GLU 42 N 0.00 -0.78 -0.63 0.86 4.39 -1.94 0.39 114.58 116.87 2k85 h GLU 42 Ca 0.07 0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2k85 h GLU 42 Cb 0.45 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 2k85 h GLU 42 CO -0.00 -0.52 0.37 -0.92 -1.16 0.00 0.00 179.01 176.78 2k85 h TYR 43 N -0.81 0.69 0.59 4.33 3.20 -1.54 -2.53 116.97 120.90 2k85 h TYR 43 Ca -0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2k85 h TYR 43 Cb 0.66 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2k85 h TYR 43 CO -0.10 0.37 -0.42 1.96 -1.64 0.00 0.00 178.16 178.32 2k85 h GLN 44 N 0.71 -0.92 -0.72 1.82 1.08 -1.20 -1.30 115.11 114.59 2k85 h GLN 44 Ca 0.27 0.06 0.15 0.00 -1.45 0.00 0.00 58.65 57.67 2k85 h GLN 44 Cb 0.09 0.21 -0.14 0.00 -0.05 0.00 0.00 27.48 27.59 2k85 h GLN 44 CO -0.13 -0.62 -0.16 0.22 -0.95 0.00 0.00 178.83 177.19 2k85 h ASP 45 N -0.96 -0.64 -0.44 1.46 3.58 -0.14 0.25 116.42 119.53 2k85 h ASP 45 Ca -0.08 0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2k85 h ASP 45 Cb 0.79 0.44 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2k85 h ASP 45 CO 0.04 -0.23 0.07 0.22 -2.88 0.00 0.00 179.24 176.46 2k85 h TYR 46 N 0.01 0.78 0.00 0.28 3.20 -1.38 -1.52 116.97 118.33 2k85 h TYR 46 Ca 0.35 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2k85 h TYR 46 Cb 0.54 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 2k85 h TYR 46 CO -0.56 0.74 -0.09 0.28 -1.64 0.00 0.00 178.16 176.88 2k85 h VAL 47 N 0.59 0.24 0.06 1.81 2.07 0.05 0.55 116.25 121.63 2k85 h VAL 47 Ca 0.13 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2k85 h VAL 47 Cb 0.38 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2k85 h VAL 47 CO 0.01 0.09 -0.03 0.22 0.02 0.00 0.00 177.57 177.88 2k85 h TYR 48 N 0.00 -0.07 0.77 1.57 3.20 -0.10 -2.31 116.97 120.03 2k85 h TYR 48 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2k85 h TYR 48 Cb 0.58 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.88 2k85 h TYR 48 CO 0.00 0.49 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.56 2k85 h LEU 49 N -0.71 -0.88 0.00 2.82 3.38 -1.00 -3.41 115.31 115.50 2k85 h LEU 49 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k85 h LEU 49 Cb 0.59 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k85 h LEU 49 CO 0.01 -0.59 0.00 -0.62 0.09 0.00 0.00 178.44 177.33 2k85 n GLU 50 N -5.00 0.00 0.00 1.13 -0.58 0.16 -5.11 120.64 111.24 2k85 n GLU 50 Ca -0.13 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2k85 n GLU 50 Cb 0.41 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 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 2.27 3.62 0.35 0.62 0.00 -0.87 -4.90 105.19 106.28 2k85 n GLY 51 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 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 1.69 1.26 -0.10 2.61 2.02 -1.92 -0.92 112.91 117.54 2k85 h THR 52 Ca 0.00 -0.74 -0.11 0.00 0.77 0.00 0.00 66.41 66.33 2k85 h THR 52 Cb 0.00 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2k85 h THR 52 CO 0.00 0.31 -0.44 0.06 0.37 0.00 0.00 175.52 175.82 2k85 h GLN 53 N 1.17 0.25 0.01 6.66 3.07 -1.95 0.20 115.11 124.52 2k85 h GLN 53 Ca 0.28 -0.13 -0.19 0.00 0.09 0.00 0.00 58.65 58.71 2k85 h GLN 53 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 2k85 h GLN 53 CO -0.03 0.65 -0.87 0.87 0.09 0.00 0.00 178.83 179.54 2k85 h LYS 54 N 0.20 0.06 -0.07 0.06 1.57 -1.81 0.54 116.57 117.12 2k85 h LYS 54 Ca 0.01 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2k85 h LYS 54 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2k85 h LYS 54 CO 0.07 0.89 -0.65 0.00 -0.57 0.00 0.00 179.45 179.19 2k85 h ALA 55 N 1.09 0.76 0.14 3.86 0.00 -0.88 0.78 119.26 125.00 2k85 h ALA 55 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2k85 h ALA 55 Cb 1.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2k85 h ALA 55 CO 0.12 0.75 -0.07 -0.22 0.00 0.00 0.00 179.25 179.83 2k85 h LYS 56 N 0.21 -0.18 -0.89 0.00 3.64 -0.43 0.36 116.57 119.28 2k85 h LYS 56 Ca -0.01 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 2k85 h LYS 56 Cb 1.18 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 2k85 h LYS 56 CO 0.10 0.17 0.38 0.87 -2.27 0.00 0.00 179.45 178.70 2k85 h LYS 57 N -0.54 0.39 -0.36 1.90 6.56 0.18 0.51 116.57 125.21 2k85 h LYS 57 Ca -0.02 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.50 2k85 h LYS 57 Cb 0.42 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2k85 h LYS 57 CO 0.03 0.26 0.02 1.25 -2.06 0.00 0.00 179.45 178.95 2k85 h LEU 58 N 0.40 0.60 -0.22 2.94 5.85 0.87 -0.60 115.31 125.15 2k85 h LEU 58 Ca 0.55 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 59.03 2k85 h LEU 58 Cb 1.02 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 2k85 h LEU 58 CO -0.52 0.74 -0.33 0.15 -0.34 0.00 0.00 178.44 178.14 2k85 h PHE 59 N 0.43 -0.92 -0.44 1.25 3.57 0.13 -1.15 116.94 119.82 2k85 h PHE 59 Ca 0.10 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.74 2k85 h PHE 59 Cb 0.42 0.43 -0.09 0.00 2.79 0.00 0.00 35.95 39.51 2k85 h PHE 59 CO 0.03 -0.40 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.51 2k85 h LEU 60 N -0.35 -0.48 0.19 0.59 -0.00 0.32 0.48 115.31 116.05 2k85 h LEU 60 Ca 0.12 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2k85 h LEU 60 Cb 0.55 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2k85 h LEU 60 CO -0.42 -0.17 -0.34 1.56 -0.00 0.00 0.00 178.44 179.08 2k85 h GLN 61 N -0.03 -0.54 -0.94 1.13 1.08 -0.82 -0.20 115.11 114.79 2k85 h GLN 61 Ca 0.21 0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.62 2k85 h GLN 61 Cb 0.35 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.83 2k85 h GLN 61 CO -0.47 -0.36 0.60 1.25 -0.95 0.00 0.00 178.83 178.90 2k85 h HIS 62 N -0.56 0.82 -0.46 2.96 2.76 -0.82 0.30 115.15 120.15 2k85 h HIS 62 Ca -0.02 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 2k85 h HIS 62 Cb 0.52 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 2k85 h HIS 62 CO -0.31 0.24 0.10 0.82 -1.30 0.00 0.00 177.93 177.49 2k85 h ILE 63 N 0.64 0.77 0.02 6.26 1.08 0.51 0.16 117.51 126.94 2k85 h ILE 63 Ca 0.50 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.88 2k85 h ILE 63 Cb 0.91 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2k85 h ILE 63 CO -0.25 0.04 -0.01 -0.74 -0.69 0.00 0.00 178.15 176.51 2k85 h HIS 64 N 0.24 -0.03 -0.50 1.37 -0.00 0.13 -2.09 115.15 114.28 2k85 h HIS 64 Ca 0.23 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.67 2k85 h HIS 64 Cb 0.28 0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 2k85 h HIS 64 CO -0.21 -0.02 0.15 0.00 -0.00 0.00 0.00 177.93 177.86 2k85 h ARG 65 N -0.03 0.30 -0.48 5.26 2.47 -0.46 0.54 114.38 121.98 2k85 h ARG 65 Ca -0.00 -0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.80 2k85 h ARG 65 Cb 0.02 -0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 28.18 2k85 h ARG 65 CO 0.01 0.20 -0.14 -0.07 0.56 0.00 0.00 179.97 180.52 2k85 h LEU 66 N 0.31 -0.52 -0.22 3.04 3.38 -0.33 0.48 115.31 121.45 2k85 h LEU 66 Ca 0.25 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 2k85 h LEU 66 Cb 0.30 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2k85 h LEU 66 CO -0.28 -0.18 -0.03 0.11 0.09 0.00 0.00 178.44 178.15 2k85 h LYS 67 N -0.03 0.40 -0.39 1.13 1.57 -0.65 -3.44 116.57 115.17 2k85 h LYS 67 Ca 0.23 -0.14 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2k85 h LYS 67 Cb 0.38 -0.03 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 2k85 h LYS 67 CO -0.51 0.62 -0.17 -3.38 -0.57 0.00 0.00 179.45 175.43 2k85 s HIS 68 N -4.87 -0.68 -2.00 -1.35 -3.43 0.18 -5.11 115.29 98.03 2k85 s HIS 68 Ca -0.14 0.14 0.01 0.00 -0.80 0.00 0.00 55.06 54.28 2k85 s HIS 68 Cb 0.07 0.12 0.05 0.00 -1.43 0.00 0.00 32.58 31.40 2k85 s HIS 68 CO 0.74 -0.45 0.55 -1.91 -2.00 0.00 0.00 174.74 171.67