#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 -0.80 1.43 3.07 -2.06 -2.23 115.11 114.52 2k85 h GLN 6 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.82 2k85 h GLN 6 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 2k85 h GLN 6 CO 0.00 0.00 0.53 0.37 0.09 0.00 0.00 178.83 179.82 2k85 h GLN 7 N 0.00 0.79 0.00 0.06 5.75 -2.04 -0.04 115.11 119.63 2k85 h GLN 7 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2k85 h GLN 7 Cb 0.25 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 2k85 h GLN 7 CO 0.00 0.52 -0.12 0.82 -2.65 0.00 0.00 178.83 177.40 2k85 h ILE 8 N 0.81 0.41 0.10 2.39 2.04 -1.82 0.12 117.51 121.55 2k85 h ILE 8 Ca 0.36 -0.65 -0.32 0.00 1.00 0.00 0.00 64.86 65.25 2k85 h ILE 8 Cb 0.34 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2k85 h ILE 8 CO -0.13 0.12 -1.73 0.00 0.00 0.00 0.00 178.15 176.40 2k85 h ALA 9 N 1.88 0.34 0.12 1.87 0.00 -1.22 -3.09 119.26 119.16 2k85 h ALA 9 Ca -0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 54.91 53.31 2k85 h ALA 9 Cb 0.46 0.68 0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k85 h ALA 9 CO 0.02 1.09 -1.24 1.79 0.00 0.00 0.00 179.25 180.91 2k85 h THR 10 N -0.24 1.30 -0.56 0.00 1.35 -1.09 0.32 112.91 113.98 2k85 h THR 10 Ca -0.39 -2.49 -0.05 0.00 -0.55 0.00 0.00 66.41 62.94 2k85 h THR 10 Cb 1.82 2.69 -0.03 0.00 -1.73 0.00 0.00 68.15 70.91 2k85 h THR 10 CO 0.01 0.76 0.15 0.00 -0.25 0.00 0.00 175.52 176.19 2k85 h ALA 11 N 0.33 1.20 0.26 6.62 0.00 -0.96 0.16 119.26 126.87 2k85 h ALA 11 Ca -0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2k85 h ALA 11 Cb 1.91 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2k85 h ALA 11 CO 0.23 0.55 -0.13 -0.22 0.00 0.00 0.00 179.25 179.69 2k85 h LYS 12 N 0.83 -0.34 -0.75 0.00 3.64 -1.47 0.17 116.57 118.65 2k85 h LYS 12 Ca 0.18 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.72 2k85 h LYS 12 Cb 0.29 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 2k85 h LYS 12 CO -0.00 -0.03 0.30 0.22 -2.27 0.00 0.00 179.45 177.67 2k85 h ASP 13 N -0.67 0.29 0.15 4.20 3.58 -0.13 1.10 116.42 124.94 2k85 h ASP 13 Ca -0.04 0.11 -0.23 0.00 0.42 0.00 0.00 57.03 57.29 2k85 h ASP 13 Cb 0.47 0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.60 2k85 h ASP 13 CO 0.06 0.11 -0.89 0.50 -2.88 0.00 0.00 179.24 176.14 2k85 h LYS 14 N 0.45 0.55 -0.94 0.28 3.64 -0.68 -2.37 116.57 117.50 2k85 h LYS 14 Ca 0.41 -0.53 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2k85 h LYS 14 Cb 0.61 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 2k85 h LYS 14 CO -0.40 1.16 0.60 -0.92 -2.27 0.00 0.00 179.45 177.63 2k85 h TYR 15 N 0.34 1.12 -1.00 1.91 3.20 0.69 0.18 116.97 123.41 2k85 h TYR 15 Ca -0.08 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.96 2k85 h TYR 15 Cb 1.52 -0.37 -0.09 0.00 1.54 0.00 0.00 36.73 39.33 2k85 h TYR 15 CO 0.07 0.61 0.62 0.93 -1.64 0.00 0.00 178.16 178.75 2k85 h GLU 16 N 1.13 0.89 -0.07 1.82 5.08 0.15 0.74 114.58 124.31 2k85 h GLU 16 Ca 0.39 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2k85 h GLU 16 Cb 0.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2k85 h GLU 16 CO -0.15 0.59 0.00 2.35 -1.00 0.00 0.00 179.01 180.80 2k85 h TRP 17 N 0.91 0.13 -0.76 4.33 7.01 -0.43 -2.67 115.95 124.48 2k85 h TRP 17 Ca 0.52 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.67 2k85 h TRP 17 Cb 0.62 -0.03 -0.13 0.00 -2.10 0.00 0.00 29.16 27.52 2k85 h TRP 17 CO -0.00 0.39 0.04 -0.07 -2.79 0.00 0.00 178.44 176.00 2k85 h LEU 18 N -0.16 -0.29 -0.45 0.65 -0.00 0.14 2.06 115.31 117.26 2k85 h LEU 18 Ca 0.02 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2k85 h LEU 18 Cb 0.34 0.33 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 2k85 h LEU 18 CO 0.00 -0.17 0.29 0.58 -0.00 0.00 0.00 178.44 179.15 2k85 h VAL 19 N 0.12 1.12 0.00 1.22 2.07 -1.06 0.16 116.25 119.88 2k85 h VAL 19 Ca 0.42 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2k85 h VAL 19 Cb 0.75 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2k85 h VAL 19 CO -0.65 0.11 0.00 0.77 0.02 0.00 0.00 177.57 177.82 2k85 h SER 20 N 0.61 0.00 0.18 0.57 4.64 0.27 0.40 113.55 120.21 2k85 h SER 20 Ca 0.16 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.23 2k85 h SER 20 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2k85 h SER 20 CO -0.03 0.00 -1.02 -0.09 -0.87 0.00 0.00 176.83 174.81 2k85 h ARG 21 N 0.00 0.56 0.00 4.77 2.43 0.41 -3.40 114.38 119.14 2k85 h ARG 21 Ca 0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2k85 h ARG 21 Cb 0.63 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2k85 h ARG 21 CO 0.00 1.23 -0.28 -0.89 -1.51 0.00 0.00 179.97 178.52 2k85 n ILE 22 N -3.79 0.46 -1.86 1.20 2.08 0.46 -4.87 119.36 113.03 2k85 n ILE 22 Ca -0.09 0.39 -0.41 0.00 0.56 0.00 0.00 62.75 63.21 2k85 n ILE 22 Cb 0.87 -1.76 -0.03 0.00 -0.75 0.00 0.00 39.64 37.97 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 -1.55 3.28 -0.03 1.39 1.01 0.14 -4.86 120.40 119.78 2k85 s VAL 23 Ca -0.08 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2k85 s VAL 23 Cb 0.01 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2k85 s VAL 23 CO 0.12 -0.39 -0.04 0.29 0.00 0.00 0.00 175.10 175.08 2k85 n LYS 24 N 8.79 0.09 -0.85 2.72 4.76 -1.26 -4.21 118.16 128.19 2k85 n LYS 24 Ca 0.26 0.23 0.05 0.00 -2.87 0.00 0.00 58.31 55.98 2k85 n LYS 24 Cb 0.49 -0.85 0.37 0.00 -1.84 0.00 0.00 35.03 33.20 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 -2.73 5.35 0.00 4.39 6.94 -1.26 -4.90 115.26 123.05 2k85 n ASN 25 Ca -0.02 -2.90 0.00 0.00 -0.02 0.00 0.00 54.58 51.65 2k85 n ASN 25 Cb 0.06 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k85 n HIS 26 N 0.51 0.00 -0.32 -2.53 1.44 -1.26 -4.76 115.22 108.30 2k85 n HIS 26 Ca 0.27 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.85 2k85 n HIS 26 Cb 1.16 -1.01 0.07 0.00 0.12 0.00 0.00 29.99 30.32 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 4.33 -4.90 4.39 3.02 -1.26 -4.83 115.26 116.01 2k85 n ASN 27 Ca 0.00 -2.85 -0.20 0.00 -0.03 0.00 0.00 54.58 51.49 2k85 n ASN 27 Cb 0.00 -0.79 0.08 0.00 -0.61 0.00 0.00 39.78 38.46 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 -0.08 0.47 -4.05 3.52 -0.58 -1.26 -5.13 120.64 113.53 2k85 n GLU 28 Ca 0.29 -3.08 -0.24 0.00 -0.42 0.00 0.00 57.16 53.70 2k85 n GLU 28 Cb 0.91 -0.32 -0.17 0.00 -0.57 0.00 0.00 31.44 31.28 2k85 n GLU 28 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2k85 s ASN 29 N -4.72 1.75 0.26 1.62 -0.87 -1.26 -5.06 114.94 106.65 2k85 s ASN 29 Ca 0.63 -0.22 -0.12 0.00 -1.57 0.00 0.00 52.86 51.58 2k85 s ASN 29 Cb -0.05 -0.68 0.37 0.00 -0.02 0.00 0.00 41.25 40.87 2k85 s ASN 29 CO 0.40 -0.09 1.56 -0.25 -2.57 0.00 0.00 177.10 176.15 2k85 h TRP 30 N 7.80 -0.69 0.09 2.20 -0.00 -1.97 0.02 115.95 123.40 2k85 h TRP 30 Ca -0.29 0.09 -0.00 0.00 -0.00 0.00 0.00 58.89 58.68 2k85 h TRP 30 Cb 1.14 0.45 0.00 0.00 -0.00 0.00 0.00 29.16 30.75 2k85 h TRP 30 CO 0.48 -0.41 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.40 2k85 h LEU 31 N -0.01 -0.11 -0.84 0.65 -0.00 -1.98 0.37 115.31 113.40 2k85 h LEU 31 Ca 0.42 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 58.28 2k85 h LEU 31 Cb 0.66 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 2k85 h LEU 31 CO -0.97 0.01 0.52 0.28 -0.00 0.00 0.00 178.44 178.28 2k85 h SER 32 N -0.22 0.82 0.73 -0.43 0.02 -1.61 -0.99 113.55 111.87 2k85 h SER 32 Ca -0.01 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k85 h SER 32 Cb 0.18 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k85 h SER 32 CO 0.02 0.53 -0.28 -0.37 -1.14 0.00 0.00 176.83 175.58 2k85 h VAL 33 N 0.95 0.76 -0.25 2.27 -1.51 -0.38 -1.55 116.25 116.55 2k85 h VAL 33 Ca 0.37 -1.19 -0.10 0.00 -1.23 0.00 0.00 66.70 64.54 2k85 h VAL 33 Cb 0.16 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2k85 h VAL 33 CO -0.17 0.28 -0.27 0.28 -1.23 0.00 0.00 177.57 176.46 2k85 h SER 34 N 0.00 0.49 -0.22 4.19 0.02 0.74 0.72 113.55 119.48 2k85 h SER 34 Ca -0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2k85 h SER 34 Cb 0.72 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2k85 h SER 34 CO 0.04 0.75 0.15 0.03 -1.14 0.00 0.00 176.83 176.65 2k85 h ARG 35 N 0.42 0.29 0.43 3.45 2.47 -0.27 0.66 114.38 121.83 2k85 h ARG 35 Ca 0.06 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 2k85 h ARG 35 Cb 0.70 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2k85 h ARG 35 CO 0.05 0.19 -0.28 0.87 0.56 0.00 0.00 179.97 181.36 2k85 h LYS 36 N 0.30 -0.66 0.00 0.04 1.57 -1.06 -3.24 116.57 113.52 2k85 h LYS 36 Ca 0.08 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2k85 h LYS 36 Cb -0.03 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2k85 h LYS 36 CO -0.02 -0.44 -0.18 0.52 -0.57 0.00 0.00 179.45 178.76 2k85 h MET 37 N -0.69 0.00 0.00 3.15 2.86 0.73 -3.16 114.93 117.82 2k85 h MET 37 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2k85 h MET 37 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 2k85 h MET 37 CO 0.03 0.18 -0.06 -0.56 1.06 0.00 0.00 176.91 177.56 2k85 h GLN 38 N 0.00 0.00 0.00 1.72 -0.00 0.31 0.13 115.11 117.27 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 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 2k85 h GLN 38 CO 0.02 0.06 0.00 0.00 -0.00 0.00 0.00 178.83 178.91 2k85 n ALA 39 N -2.38 2.26 -3.38 0.06 0.00 -1.19 -4.59 120.51 111.28 2k85 n ALA 39 Ca -0.03 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 2k85 n ALA 39 Cb 0.15 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.94 4.32 0.43 0.00 0.01 0.45 -4.99 113.70 111.98 2k85 s SER 40 Ca 0.28 -0.35 0.20 0.00 1.31 0.00 0.00 55.95 57.38 2k85 s SER 40 Cb 0.13 -1.73 1.14 0.00 0.21 0.00 0.00 66.02 65.77 2k85 s SER 40 CO 0.22 0.03 1.84 1.55 0.41 0.00 0.00 173.24 177.29 2k85 h PRO 41 N 7.77 0.34 -0.30 12.44 0.13 -1.84 -1.29 132.00 149.25 2k85 h PRO 41 Ca -0.38 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k85 h PRO 41 Cb 1.17 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2k85 h PRO 41 CO 0.60 0.23 0.17 0.93 -0.23 0.00 0.00 178.00 179.70 2k85 h GLU 42 N 0.35 0.42 -0.54 0.86 4.39 -1.94 0.20 114.58 118.32 2k85 h GLU 42 Ca 0.49 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.18 2k85 h GLU 42 Cb 1.31 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 2k85 h GLU 42 CO -0.18 0.34 0.32 -0.92 -1.16 0.00 0.00 179.01 177.41 2k85 h TYR 43 N 0.38 0.59 0.96 4.33 5.03 -1.47 -2.45 116.97 124.34 2k85 h TYR 43 Ca 0.11 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 2k85 h TYR 43 Cb 0.04 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.14 2k85 h TYR 43 CO -0.04 0.33 -0.46 1.96 -1.32 0.00 0.00 178.16 178.63 2k85 h GLN 44 N 0.63 -1.24 -0.78 1.82 1.08 -1.02 -2.26 115.11 113.34 2k85 h GLN 44 Ca 0.22 0.08 0.18 0.00 -1.45 0.00 0.00 58.65 57.68 2k85 h GLN 44 Cb 0.05 0.28 -0.12 0.00 -0.05 0.00 0.00 27.48 27.64 2k85 h GLN 44 CO -0.11 -0.82 0.22 0.22 -0.95 0.00 0.00 178.83 177.38 2k85 h ASP 45 N -1.30 0.06 -0.14 1.46 3.58 -0.57 0.14 116.42 119.65 2k85 h ASP 45 Ca -0.13 0.15 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2k85 h ASP 45 Cb 0.98 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2k85 h ASP 45 CO 0.22 -0.04 -0.42 0.22 -2.88 0.00 0.00 179.24 176.33 2k85 h TYR 46 N 0.29 0.83 0.00 0.28 3.20 -1.42 -1.72 116.97 118.42 2k85 h TYR 46 Ca 0.45 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2k85 h TYR 46 Cb 0.80 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2k85 h TYR 46 CO -0.24 1.00 -0.23 0.28 -1.64 0.00 0.00 178.16 177.32 2k85 h VAL 47 N 0.56 0.49 0.11 1.81 2.07 -0.53 -0.34 116.25 120.43 2k85 h VAL 47 Ca 0.04 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2k85 h VAL 47 Cb 0.96 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2k85 h VAL 47 CO 0.09 0.23 -0.05 0.22 0.02 0.00 0.00 177.57 178.07 2k85 h TYR 48 N 0.00 -0.13 0.48 1.57 3.20 -0.43 -2.39 116.97 119.27 2k85 h TYR 48 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2k85 h TYR 48 Cb 0.88 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2k85 h TYR 48 CO 0.00 0.29 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.51 2k85 h LEU 49 N -0.61 -0.55 0.00 2.82 3.38 -1.20 -3.42 115.31 115.73 2k85 h LEU 49 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k85 h LEU 49 Cb 0.49 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k85 h LEU 49 CO 0.02 -0.39 0.00 -0.62 0.09 0.00 0.00 178.44 177.55 2k85 n GLU 50 N -3.79 0.00 0.00 1.13 -0.58 -0.15 -5.11 120.64 112.15 2k85 n GLU 50 Ca -0.08 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2k85 n GLU 50 Cb 0.26 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 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 2.25 2.73 0.19 0.62 0.00 -0.90 -4.93 105.19 105.15 2k85 n GLY 51 Ca 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 1.00 1.03 -0.09 2.61 2.02 -1.92 -1.54 112.91 116.02 2k85 h THR 52 Ca 0.00 -1.49 -0.09 0.00 0.77 0.00 0.00 66.41 65.60 2k85 h THR 52 Cb 0.00 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k85 h THR 52 CO 0.00 0.39 -0.29 1.56 0.37 0.00 0.00 175.52 177.55 2k85 h GLN 53 N 0.00 0.35 -0.46 6.66 4.20 -1.96 0.24 115.11 124.14 2k85 h GLN 53 Ca -0.00 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 2k85 h GLN 53 Cb 0.83 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 2k85 h GLN 53 CO 0.05 0.88 -0.11 0.87 -0.67 0.00 0.00 178.83 179.85 2k85 h LYS 54 N -0.12 0.84 -0.51 1.46 1.57 -1.90 0.31 116.57 118.23 2k85 h LYS 54 Ca -0.01 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 2k85 h LYS 54 Cb 0.91 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2k85 h LYS 54 CO 0.06 0.92 0.02 0.00 -0.57 0.00 0.00 179.45 179.88 2k85 h ALA 55 N 1.11 1.09 0.14 3.86 0.00 -1.26 0.36 119.26 124.55 2k85 h ALA 55 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k85 h ALA 55 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k85 h ALA 55 CO 0.04 0.58 -0.06 -0.22 0.00 0.00 0.00 179.25 179.59 2k85 h LYS 56 N 0.78 -0.18 -0.96 0.00 3.64 0.05 0.12 116.57 120.03 2k85 h LYS 56 Ca 0.15 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2k85 h LYS 56 Cb 0.44 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 2k85 h LYS 56 CO 0.02 0.07 0.60 -0.22 -2.27 0.00 0.00 179.45 177.64 2k85 h LYS 57 N -0.41 0.94 -0.59 1.90 1.63 -0.25 0.14 116.57 119.93 2k85 h LYS 57 Ca -0.02 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2k85 h LYS 57 Cb 0.32 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2k85 h LYS 57 CO 0.03 0.62 0.36 1.25 -3.45 0.00 0.00 179.45 178.27 2k85 h LEU 58 N 0.97 0.71 -0.12 5.20 5.85 0.00 -0.08 115.31 127.84 2k85 h LEU 58 Ca 0.47 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.18 2k85 h LEU 58 Cb 0.42 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2k85 h LEU 58 CO -0.25 0.55 -0.31 0.15 -0.34 0.00 0.00 178.44 178.24 2k85 h PHE 59 N 0.80 -0.86 -0.36 1.25 3.57 0.85 -1.82 116.94 120.37 2k85 h PHE 59 Ca 0.21 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.83 2k85 h PHE 59 Cb -0.03 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 2k85 h PHE 59 CO -0.02 -0.39 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.41 2k85 h LEU 60 N -0.39 -0.62 0.09 0.59 -0.00 -0.26 0.23 115.31 114.94 2k85 h LEU 60 Ca 0.09 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 58.14 2k85 h LEU 60 Cb 0.54 0.33 -0.04 0.00 -0.00 0.00 0.00 40.66 41.49 2k85 h LEU 60 CO -0.34 -0.22 -0.31 1.56 -0.00 0.00 0.00 178.44 179.14 2k85 h GLN 61 N -0.13 -0.49 -0.90 1.13 4.20 -0.83 -0.40 115.11 117.69 2k85 h GLN 61 Ca 0.18 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.97 2k85 h GLN 61 Cb 0.40 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 2k85 h GLN 61 CO -0.43 -0.33 0.58 1.25 -0.67 0.00 0.00 178.83 179.23 2k85 h HIS 62 N -0.51 1.08 -0.47 2.96 2.76 -0.89 -1.04 115.15 119.05 2k85 h HIS 62 Ca 0.04 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 2k85 h HIS 62 Cb 0.55 -0.35 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 2k85 h HIS 62 CO -0.29 0.59 -0.17 0.82 -1.30 0.00 0.00 177.93 177.58 2k85 h ILE 63 N 1.09 0.43 -0.63 6.26 1.08 0.16 0.33 117.51 126.23 2k85 h ILE 63 Ca 0.37 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.80 2k85 h ILE 63 Cb 0.08 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 2k85 h ILE 63 CO -0.14 0.00 0.22 -0.74 -0.69 0.00 0.00 178.15 176.80 2k85 h HIS 64 N -0.07 0.99 -0.05 1.37 2.76 -0.09 0.24 115.15 120.30 2k85 h HIS 64 Ca 0.22 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2k85 h HIS 64 Cb 0.41 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 2k85 h HIS 64 CO -0.45 0.80 -0.11 0.00 -1.30 0.00 0.00 177.93 176.88 2k85 h ARG 65 N 0.90 -0.16 -0.75 5.26 3.08 -0.45 1.23 114.38 123.49 2k85 h ARG 65 Ca 0.21 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.44 2k85 h ARG 65 Cb 0.26 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 2k85 h ARG 65 CO -0.01 -0.11 0.01 -0.07 -1.07 0.00 0.00 179.97 178.72 2k85 h LEU 66 N -0.17 -0.33 0.22 3.04 3.38 0.44 -1.81 115.31 120.08 2k85 h LEU 66 Ca 0.06 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2k85 h LEU 66 Cb 0.25 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k85 h LEU 66 CO -0.15 -0.17 -0.10 0.11 0.09 0.00 0.00 178.44 178.22 2k85 h LYS 67 N 0.11 -0.28 0.00 1.13 1.57 0.23 -3.46 116.57 115.87 2k85 h LYS 67 Ca 0.41 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2k85 h LYS 67 Cb 0.71 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2k85 h LYS 67 CO -0.65 -0.07 0.00 -2.39 -0.57 0.00 0.00 179.45 175.77 2k85 n HIS 68 N -5.15 0.00 0.46 -1.35 1.44 0.42 -5.07 115.22 105.96 2k85 n HIS 68 Ca -0.09 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.65 2k85 n HIS 68 Cb 0.19 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.52 2k85 n HIS 68 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62