#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 -0.62 -1.46 4.20 -2.05 -3.28 115.11 111.90 2k85 h GLN 6 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2k85 h GLN 6 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2k85 h GLN 6 CO 0.00 0.77 0.42 0.37 -0.67 0.00 0.00 178.83 179.72 2k85 h GLN 7 N 0.00 0.27 -0.63 1.46 5.75 -2.03 -1.17 115.11 118.76 2k85 h GLN 7 Ca -0.01 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.62 2k85 h GLN 7 Cb 1.52 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.98 2k85 h GLN 7 CO 0.10 0.18 0.43 0.82 -2.65 0.00 0.00 178.83 177.71 2k85 h ILE 8 N 0.28 0.79 0.00 2.39 2.04 -2.01 -1.71 117.51 119.29 2k85 h ILE 8 Ca 0.30 -0.08 -0.34 0.00 1.00 0.00 0.00 64.86 65.73 2k85 h ILE 8 Cb 0.79 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2k85 h ILE 8 CO -0.07 0.04 -2.15 0.00 0.00 0.00 0.00 178.15 175.98 2k85 n ALA 9 N -2.57 1.67 0.14 1.87 0.00 -0.56 -4.48 120.51 116.58 2k85 n ALA 9 Ca 0.11 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 52.75 2k85 n ALA 9 Cb 0.53 0.23 0.35 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.72 1.23 -0.04 0.00 1.35 -1.26 0.35 112.91 113.82 2k85 h THR 10 Ca -0.52 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 2k85 h THR 10 Cb 1.46 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2k85 h THR 10 CO -0.31 0.32 0.01 0.00 -0.25 0.00 0.00 175.52 175.29 2k85 h ALA 11 N 1.59 0.06 -0.39 6.62 0.00 -1.53 0.28 119.26 125.88 2k85 h ALA 11 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2k85 h ALA 11 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k85 h ALA 11 CO 0.04 -0.30 0.16 -0.22 0.00 0.00 0.00 179.25 178.93 2k85 h LYS 12 N -0.19 0.59 -0.51 0.00 3.64 -1.67 0.11 116.57 118.54 2k85 h LYS 12 Ca 0.01 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2k85 h LYS 12 Cb 0.28 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 2k85 h LYS 12 CO 0.00 0.56 0.09 0.22 -2.27 0.00 0.00 179.45 178.05 2k85 h ASP 13 N 0.49 -0.02 -0.08 4.20 3.58 -0.18 0.48 116.42 124.90 2k85 h ASP 13 Ca 0.13 0.09 -0.20 0.00 0.42 0.00 0.00 57.03 57.48 2k85 h ASP 13 Cb 0.19 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k85 h ASP 13 CO -0.01 0.02 -0.69 0.50 -2.88 0.00 0.00 179.24 176.18 2k85 h LYS 14 N 0.23 0.71 -0.85 0.28 3.64 -0.22 -2.01 116.57 118.34 2k85 h LYS 14 Ca 0.26 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 2k85 h LYS 14 Cb 0.35 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 2k85 h LYS 14 CO -0.34 1.15 0.42 -0.92 -2.27 0.00 0.00 179.45 177.49 2k85 h TYR 15 N 0.50 1.21 -0.48 1.91 3.20 -0.24 0.19 116.97 123.26 2k85 h TYR 15 Ca -0.03 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2k85 h TYR 15 Cb 1.29 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2k85 h TYR 15 CO 0.07 0.86 0.31 0.93 -1.64 0.00 0.00 178.16 178.69 2k85 h GLU 16 N 1.20 0.63 -0.27 1.82 5.08 0.16 0.40 114.58 123.59 2k85 h GLU 16 Ca 0.29 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 2k85 h GLU 16 Cb 0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k85 h GLU 16 CO -0.04 0.42 -0.56 2.35 -1.00 0.00 0.00 179.01 180.18 2k85 h TRP 17 N 0.65 1.09 -0.46 4.33 7.01 -0.57 -2.19 115.95 125.81 2k85 h TRP 17 Ca 0.17 -0.40 0.09 0.00 2.11 0.00 0.00 58.89 60.87 2k85 h TRP 17 Cb -0.07 -0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 26.71 2k85 h TRP 17 CO 0.00 1.23 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.73 2k85 h LEU 18 N 0.64 -0.36 -0.90 0.65 -0.00 0.13 1.48 115.31 116.95 2k85 h LEU 18 Ca 0.01 0.13 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2k85 h LEU 18 Cb 1.17 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 42.04 2k85 h LEU 18 CO 0.12 -0.13 0.59 0.58 -0.00 0.00 0.00 178.44 179.60 2k85 h VAL 19 N 0.03 1.23 0.00 1.22 2.07 -1.03 -1.66 116.25 118.11 2k85 h VAL 19 Ca 0.22 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2k85 h VAL 19 Cb 0.34 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2k85 h VAL 19 CO -0.44 0.23 -0.01 0.77 0.02 0.00 0.00 177.57 178.13 2k85 h SER 20 N 1.22 0.00 1.28 0.57 4.64 0.12 0.98 113.55 122.36 2k85 h SER 20 Ca 0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 2k85 h SER 20 Cb -0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2k85 h SER 20 CO -0.07 0.01 -0.75 0.08 -0.87 0.00 0.00 176.83 175.23 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.25 -3.39 114.38 116.13 2k85 h ARG 21 Ca -0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2k85 h ARG 21 Cb 0.74 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 2k85 h ARG 21 CO 0.00 0.36 -1.22 -0.89 0.10 0.00 0.00 179.97 178.31 2k85 n ILE 22 N -3.08 1.42 -2.78 0.08 2.08 -0.69 -4.85 119.36 111.54 2k85 n ILE 22 Ca -0.01 0.05 -0.43 0.00 0.56 0.00 0.00 62.75 62.92 2k85 n ILE 22 Cb 0.73 -2.13 -0.03 0.00 -0.75 0.00 0.00 39.64 37.46 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 -2.68 4.34 -0.18 1.39 1.01 0.34 -4.80 120.40 119.81 2k85 s VAL 23 Ca -0.27 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 2k85 s VAL 23 Cb 0.06 -4.85 -0.08 0.00 0.00 0.00 0.00 36.38 31.52 2k85 s VAL 23 CO 0.38 -1.64 -0.21 1.17 0.00 0.00 0.00 175.10 174.79 2k85 n LYS 24 N 7.68 0.51 -0.14 2.72 3.00 -1.26 -4.26 118.16 126.40 2k85 n LYS 24 Ca 0.18 0.39 0.05 0.00 -0.00 0.00 0.00 58.31 58.93 2k85 n LYS 24 Cb 0.49 -1.58 0.15 0.00 0.00 0.00 0.00 35.03 34.09 2k85 n LYS 24 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2k85 n ASN 25 N -4.49 1.56 0.00 3.14 0.23 -1.26 -4.89 115.26 109.55 2k85 n ASN 25 Ca -0.20 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 2k85 n ASN 25 Cb 0.50 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k85 n HIS 26 N 0.34 0.00 -0.99 -2.53 1.44 -1.26 -4.82 115.22 107.40 2k85 n HIS 26 Ca 0.10 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.63 2k85 n HIS 26 Cb 0.25 -1.61 0.02 0.00 0.12 0.00 0.00 29.99 28.77 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 -0.21 6.45 -4.77 4.39 5.03 -1.26 -4.88 115.26 120.01 2k85 n ASN 27 Ca 0.00 -3.07 -0.26 0.00 0.87 0.00 0.00 54.58 52.12 2k85 n ASN 27 Cb 0.29 -1.09 -0.06 0.00 -1.02 0.00 0.00 39.78 37.89 2k85 n ASN 27 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k85 s GLU 28 N -1.74 2.22 -0.24 3.52 0.41 -1.26 -5.12 118.70 116.49 2k85 s GLU 28 Ca 0.36 -1.94 0.01 0.00 -0.41 0.00 0.00 54.97 52.99 2k85 s GLU 28 Cb 0.27 -1.95 0.06 0.00 -1.78 0.00 0.00 34.13 30.73 2k85 s GLU 28 CO -0.04 -0.23 -0.07 -0.80 -0.49 0.00 0.00 175.26 173.63 2k85 s ASN 29 N -3.96 4.05 0.15 -0.19 0.01 -1.26 -5.05 114.94 108.69 2k85 s ASN 29 Ca 0.36 -1.25 -0.14 0.00 -0.71 0.00 0.00 52.86 51.11 2k85 s ASN 29 Cb 0.03 -1.30 0.12 0.00 0.41 0.00 0.00 41.25 40.50 2k85 s ASN 29 CO 0.20 -0.22 1.08 1.87 -1.51 0.00 0.00 177.10 178.52 2k85 n TRP 30 N 4.59 -0.06 0.29 2.20 -0.00 -1.26 -1.32 117.44 121.88 2k85 n TRP 30 Ca -0.13 0.86 -0.17 0.00 -0.00 0.00 0.00 57.50 58.06 2k85 n TRP 30 Cb 0.43 -0.71 -0.09 0.00 -0.00 0.00 0.00 31.31 30.94 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 -1.14 -1.80 5.87 -0.00 -1.98 0.59 115.31 116.84 2k85 h LEU 31 Ca 0.21 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.17 2k85 h LEU 31 Cb 0.39 0.37 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2k85 h LEU 31 CO -0.68 -0.60 0.02 0.28 -0.00 0.00 0.00 178.44 177.45 2k85 h SER 32 N -0.92 0.12 0.29 -0.43 0.02 -1.79 -1.27 113.55 109.58 2k85 h SER 32 Ca -0.05 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2k85 h SER 32 Cb 0.79 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2k85 h SER 32 CO -0.03 0.14 -0.54 0.58 -1.14 0.00 0.00 176.83 175.85 2k85 h VAL 33 N 0.14 1.36 -0.02 2.27 2.07 0.14 -1.89 116.25 120.32 2k85 h VAL 33 Ca 0.04 -1.82 -0.08 0.00 0.82 0.00 0.00 66.70 65.66 2k85 h VAL 33 Cb 0.07 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2k85 h VAL 33 CO -0.00 0.54 -0.35 -1.28 0.02 0.00 0.00 177.57 176.50 2k85 h SER 34 N 0.21 0.03 0.38 0.57 0.87 0.12 1.02 113.55 116.75 2k85 h SER 34 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2k85 h SER 34 Cb 1.01 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2k85 h SER 34 CO 0.08 0.38 -0.18 0.03 -0.53 0.00 0.00 176.83 176.61 2k85 h ARG 35 N 0.03 -0.49 0.19 2.24 2.47 -0.92 0.67 114.38 118.56 2k85 h ARG 35 Ca 0.00 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2k85 h ARG 35 Cb 0.64 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 2k85 h ARG 35 CO 0.05 -0.31 -0.29 0.87 0.56 0.00 0.00 179.97 180.84 2k85 h LYS 36 N -0.54 -0.49 -0.16 0.04 1.57 -0.86 -3.23 116.57 112.91 2k85 h LYS 36 Ca -0.05 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2k85 h LYS 36 Cb 0.41 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2k85 h LYS 36 CO 0.09 -0.33 0.13 0.52 -0.57 0.00 0.00 179.45 179.29 2k85 h MET 37 N -0.51 0.00 0.00 3.15 2.86 0.11 -2.16 114.93 118.38 2k85 h MET 37 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2k85 h MET 37 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2k85 h MET 37 CO -0.09 0.00 -0.02 -0.56 1.06 0.00 0.00 176.91 177.29 2k85 h GLN 38 N 0.00 0.00 -0.89 1.72 3.07 -0.88 -0.63 115.11 117.50 2k85 h GLN 38 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2k85 h GLN 38 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 2k85 h GLN 38 CO -0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.83 178.94 2k85 n ALA 39 N -2.14 2.28 -3.67 0.06 0.00 -0.81 -4.63 120.51 111.60 2k85 n ALA 39 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2k85 n ALA 39 Cb 0.16 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 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 0.02 1.05 0.51 0.00 0.01 -0.25 -5.02 113.70 110.02 2k85 s SER 40 Ca 0.00 -0.11 0.26 0.00 1.31 0.00 0.00 55.95 57.41 2k85 s SER 40 Cb 0.00 -0.43 1.36 0.00 0.21 0.00 0.00 66.02 67.16 2k85 s SER 40 CO 0.00 -0.09 1.92 1.55 0.41 0.00 0.00 173.24 177.03 2k85 h PRO 41 N 7.46 0.10 -0.06 12.44 0.13 -1.85 -1.86 132.00 148.36 2k85 h PRO 41 Ca -0.34 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2k85 h PRO 41 Cb 1.14 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k85 h PRO 41 CO 0.42 0.06 0.00 0.93 -0.23 0.00 0.00 178.00 179.19 2k85 h GLU 42 N 0.10 0.10 -1.00 0.86 3.07 -1.95 0.33 114.58 116.09 2k85 h GLU 42 Ca 0.37 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.21 2k85 h GLU 42 Cb 1.32 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.17 2k85 h GLU 42 CO -0.04 0.36 0.66 -0.92 -1.40 0.00 0.00 179.01 177.67 2k85 h TYR 43 N -0.17 1.25 0.49 4.33 5.03 -1.58 -2.27 116.97 124.06 2k85 h TYR 43 Ca 0.02 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 2k85 h TYR 43 Cb 0.31 -0.42 -0.02 0.00 1.55 0.00 0.00 36.73 38.15 2k85 h TYR 43 CO 0.03 0.78 -0.41 1.96 -1.32 0.00 0.00 178.16 179.19 2k85 h GLN 44 N 1.34 -0.87 -0.97 1.82 1.08 -1.17 -2.06 115.11 114.28 2k85 h GLN 44 Ca 0.37 0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.75 2k85 h GLN 44 Cb -0.13 0.20 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 2k85 h GLN 44 CO -0.09 -0.58 0.60 0.38 -0.95 0.00 0.00 178.83 178.19 2k85 h ASP 45 N -0.90 0.87 0.01 1.46 3.04 0.01 0.41 116.42 121.32 2k85 h ASP 45 Ca -0.05 0.05 -0.24 0.00 -3.24 0.00 0.00 57.03 53.55 2k85 h ASP 45 Cb 0.77 -0.12 0.01 0.00 -1.04 0.00 0.00 39.33 38.95 2k85 h ASP 45 CO -0.02 0.46 -0.91 0.22 -2.04 0.00 0.00 179.24 176.95 2k85 h TYR 46 N 0.95 0.97 0.00 4.15 3.20 -1.38 -1.94 116.97 122.91 2k85 h TYR 46 Ca 0.48 -0.48 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2k85 h TYR 46 Cb 0.47 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 2k85 h TYR 46 CO -0.02 1.31 -0.16 0.28 -1.64 0.00 0.00 178.16 177.94 2k85 h VAL 47 N 0.42 0.33 0.10 1.81 2.07 -0.62 0.82 116.25 121.19 2k85 h VAL 47 Ca -0.09 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2k85 h VAL 47 Cb 1.55 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2k85 h VAL 47 CO 0.18 0.15 -0.05 0.22 0.02 0.00 0.00 177.57 178.10 2k85 h TYR 48 N 0.00 -0.12 0.47 1.57 3.20 -0.07 -2.78 116.97 119.24 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 0.83 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k85 h TYR 48 CO 0.00 0.34 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.56 2k85 h LEU 49 N -0.65 -0.54 0.00 2.82 3.38 -1.28 -3.43 115.31 115.61 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 0.52 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k85 h LEU 49 CO 0.02 -0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.68 2k85 n GLU 50 N -4.47 0.00 0.00 1.13 -0.58 0.28 -5.10 120.64 111.90 2k85 n GLU 50 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2k85 n GLU 50 Cb 0.25 -0.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 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 2.58 2.50 0.17 0.62 0.00 -1.05 -4.95 105.19 105.07 2k85 n GLY 51 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 1.38 0.00 2.61 2.02 -1.91 -1.24 112.91 116.77 2k85 h THR 52 Ca 0.00 -2.03 -0.10 0.00 0.77 0.00 0.00 66.41 65.06 2k85 h THR 52 Cb 0.00 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2k85 h THR 52 CO 0.00 0.60 -0.46 0.06 0.37 0.00 0.00 175.52 176.10 2k85 h GLN 53 N 0.22 0.00 0.03 6.66 3.07 -1.97 0.64 115.11 123.76 2k85 h GLN 53 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 2k85 h GLN 53 Cb 1.16 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.74 2k85 h GLN 53 CO 0.10 0.46 -0.74 0.87 0.09 0.00 0.00 178.83 179.61 2k85 h LYS 54 N 0.00 0.45 -0.76 0.06 1.57 -1.88 -2.46 116.57 113.55 2k85 h LYS 54 Ca -0.00 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2k85 h LYS 54 Cb 0.84 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2k85 h LYS 54 CO 0.06 1.17 0.47 0.00 -0.57 0.00 0.00 179.45 180.58 2k85 h ALA 55 N 0.30 1.38 0.01 3.86 0.00 -1.01 0.30 119.26 124.10 2k85 h ALA 55 Ca -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k85 h ALA 55 Cb 1.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k85 h ALA 55 CO 0.14 0.54 -0.20 -0.22 0.00 0.00 0.00 179.25 179.52 2k85 h LYS 56 N 1.05 -0.25 -0.33 0.00 3.11 0.30 0.17 116.57 120.62 2k85 h LYS 56 Ca 0.28 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.16 2k85 h LYS 56 Cb -0.05 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.22 2k85 h LYS 56 CO -0.05 -0.16 0.22 0.87 -2.81 0.00 0.00 179.45 177.52 2k85 h LYS 57 N -0.26 0.34 -0.50 1.90 1.79 -1.12 -0.14 116.57 118.58 2k85 h LYS 57 Ca 0.00 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 2k85 h LYS 57 Cb 0.27 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2k85 h LYS 57 CO -0.12 0.22 -0.05 1.25 -1.08 0.00 0.00 179.45 179.67 2k85 h LEU 58 N 0.35 0.92 0.06 2.94 5.85 -0.16 0.30 115.31 125.56 2k85 h LEU 58 Ca 0.13 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2k85 h LEU 58 Cb 0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2k85 h LEU 58 CO -0.03 1.03 -0.16 0.15 -0.34 0.00 0.00 178.44 179.08 2k85 h PHE 59 N 0.78 -0.43 0.01 1.25 3.57 0.62 -1.30 116.94 121.45 2k85 h PHE 59 Ca 0.14 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2k85 h PHE 59 Cb 0.59 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2k85 h PHE 59 CO 0.04 -0.24 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.53 2k85 h LEU 60 N -0.30 -0.84 -1.20 0.59 -0.00 -0.72 0.22 115.31 113.06 2k85 h LEU 60 Ca 0.03 0.11 0.04 0.00 -0.00 0.00 0.00 57.88 58.06 2k85 h LEU 60 Cb 0.34 0.34 -0.05 0.00 -0.00 0.00 0.00 40.66 41.29 2k85 h LEU 60 CO -0.12 -0.35 0.55 0.06 -0.00 0.00 0.00 178.44 178.59 2k85 h GLN 61 N -0.43 1.00 -0.43 1.13 3.07 -0.38 -0.39 115.11 118.68 2k85 h GLN 61 Ca 0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 2k85 h GLN 61 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 2k85 h GLN 61 CO -0.23 0.66 -0.27 1.25 0.09 0.00 0.00 178.83 180.33 2k85 h HIS 62 N 1.04 1.05 -0.48 0.06 2.76 -0.62 -1.01 115.15 117.94 2k85 h HIS 62 Ca 0.34 -0.27 0.10 0.00 -2.20 0.00 0.00 60.37 58.33 2k85 h HIS 62 Cb 0.05 -0.24 -0.09 0.00 1.55 0.00 0.00 27.41 28.67 2k85 h HIS 62 CO -0.00 1.07 -0.12 0.82 -1.30 0.00 0.00 177.93 178.39 2k85 h ILE 63 N 0.77 0.52 -0.06 6.26 1.08 0.89 0.45 117.51 127.42 2k85 h ILE 63 Ca 0.09 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2k85 h ILE 63 Cb 0.83 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2k85 h ILE 63 CO 0.07 0.00 -0.05 -0.74 -0.69 0.00 0.00 178.15 176.74 2k85 h HIS 64 N -0.00 -0.13 -0.21 1.37 -0.00 -0.78 0.48 115.15 115.88 2k85 h HIS 64 Ca 0.23 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.67 2k85 h HIS 64 Cb 0.35 0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 27.76 2k85 h HIS 64 CO -0.41 -0.08 -0.30 0.00 -0.00 0.00 0.00 177.93 177.13 2k85 h ARG 65 N -0.06 -0.32 -0.69 5.26 3.08 -0.08 1.06 114.38 122.62 2k85 h ARG 65 Ca 0.05 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.27 2k85 h ARG 65 Cb 0.13 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.13 2k85 h ARG 65 CO -0.10 -0.21 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.49 2k85 h LEU 66 N -0.33 -0.35 0.27 3.04 3.38 0.41 -1.86 115.31 119.86 2k85 h LEU 66 Ca 0.12 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2k85 h LEU 66 Cb 0.52 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2k85 h LEU 66 CO -0.40 -0.16 -0.21 0.11 0.09 0.00 0.00 178.44 177.87 2k85 h LYS 67 N 0.10 -0.47 -0.28 1.13 1.57 0.13 -3.45 116.57 115.30 2k85 h LYS 67 Ca 0.37 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.36 2k85 h LYS 67 Cb 0.61 0.11 -0.19 0.00 0.08 0.00 0.00 32.23 32.85 2k85 h LYS 67 CO -0.61 -0.31 -0.05 -3.38 -0.57 0.00 0.00 179.45 174.52 2k85 s HIS 68 N -6.10 -0.51 -2.48 -1.35 -3.43 0.35 -5.07 115.29 96.71 2k85 s HIS 68 Ca -0.16 0.24 0.20 0.00 -0.80 0.00 0.00 55.06 54.55 2k85 s HIS 68 Cb 0.06 0.09 0.16 0.00 -1.43 0.00 0.00 32.58 31.46 2k85 s HIS 68 CO 0.64 -0.31 1.13 -1.91 -2.00 0.00 0.00 174.74 172.29