#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 -0.57 -1.46 3.07 -2.05 -2.58 115.11 111.52 2k85 h GLN 6 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.83 2k85 h GLN 6 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 2k85 h GLN 6 CO 0.00 0.33 0.39 0.37 0.09 0.00 0.00 178.83 180.01 2k85 h GLN 7 N 0.00 0.38 -0.05 0.06 5.75 -2.03 0.08 115.11 119.30 2k85 h GLN 7 Ca -0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2k85 h GLN 7 Cb 0.66 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 2k85 h GLN 7 CO 0.04 0.25 0.13 0.82 -2.65 0.00 0.00 178.83 177.42 2k85 h ILE 8 N 0.39 0.17 0.00 2.39 2.04 -1.90 0.25 117.51 120.85 2k85 h ILE 8 Ca 0.26 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.89 2k85 h ILE 8 Cb 0.53 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2k85 h ILE 8 CO -0.07 0.00 -1.71 0.00 0.00 0.00 0.00 178.15 176.37 2k85 n ALA 9 N -2.12 1.33 0.23 1.87 0.00 -0.11 -4.44 120.51 117.26 2k85 n ALA 9 Ca -0.02 -0.85 0.07 0.00 0.00 0.00 0.00 53.44 52.64 2k85 n ALA 9 Cb 0.21 0.13 0.53 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.86 1.00 -0.27 0.00 1.35 -1.05 0.20 112.91 113.28 2k85 h THR 10 Ca -0.35 -0.76 -0.08 0.00 -0.55 0.00 0.00 66.41 64.68 2k85 h THR 10 Cb 1.24 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2k85 h THR 10 CO -0.21 0.21 -0.13 0.00 -0.25 0.00 0.00 175.52 175.13 2k85 h ALA 11 N 1.79 0.38 -0.34 6.62 0.00 -0.73 0.21 119.26 127.18 2k85 h ALA 11 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2k85 h ALA 11 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k85 h ALA 11 CO 0.03 0.26 -0.02 -0.22 0.00 0.00 0.00 179.25 179.30 2k85 h LYS 12 N 0.31 0.62 -0.03 0.00 3.64 -1.59 0.40 116.57 119.91 2k85 h LYS 12 Ca 0.06 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2k85 h LYS 12 Cb 0.65 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2k85 h LYS 12 CO 0.04 0.75 -0.45 0.22 -2.27 0.00 0.00 179.45 177.74 2k85 h ASP 13 N 0.42 -1.38 -0.45 4.20 3.58 -0.54 0.53 116.42 122.79 2k85 h ASP 13 Ca 0.09 0.17 -0.13 0.00 0.42 0.00 0.00 57.03 57.58 2k85 h ASP 13 Cb 0.48 0.54 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2k85 h ASP 13 CO 0.02 -0.47 -0.21 0.50 -2.88 0.00 0.00 179.24 176.20 2k85 h LYS 14 N -0.58 0.96 -0.94 0.28 3.64 -0.53 -2.39 116.57 117.02 2k85 h LYS 14 Ca 0.05 -0.40 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 2k85 h LYS 14 Cb 0.67 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2k85 h LYS 14 CO -0.35 1.07 0.60 -0.92 -2.27 0.00 0.00 179.45 177.59 2k85 h TYR 15 N 0.83 1.12 -0.53 1.91 3.20 0.18 0.63 116.97 124.31 2k85 h TYR 15 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2k85 h TYR 15 Cb 0.78 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2k85 h TYR 15 CO 0.05 0.59 0.33 0.93 -1.64 0.00 0.00 178.16 178.41 2k85 h GLU 16 N 1.11 0.71 -0.28 1.82 5.08 0.42 0.15 114.58 123.59 2k85 h GLU 16 Ca 0.40 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.56 2k85 h GLU 16 Cb 0.14 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2k85 h GLU 16 CO -0.16 0.49 -0.43 2.35 -1.00 0.00 0.00 179.01 180.25 2k85 h TRP 17 N 0.72 0.97 -0.53 4.33 7.01 -0.38 -2.60 115.95 125.48 2k85 h TRP 17 Ca 0.19 -0.33 0.10 0.00 2.11 0.00 0.00 58.89 60.96 2k85 h TRP 17 Cb -0.05 -0.19 -0.08 0.00 -2.10 0.00 0.00 29.16 26.74 2k85 h TRP 17 CO 0.00 1.13 0.03 -0.07 -2.79 0.00 0.00 178.44 176.74 2k85 h LEU 18 N 0.54 -0.17 -0.59 0.65 -0.00 0.21 1.27 115.31 117.22 2k85 h LEU 18 Ca 0.02 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 58.07 2k85 h LEU 18 Cb 1.03 0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.85 2k85 h LEU 18 CO 0.10 -0.06 0.32 0.58 -0.00 0.00 0.00 178.44 179.39 2k85 h VAL 19 N 0.15 0.97 0.00 1.22 2.07 -0.82 -0.90 116.25 118.94 2k85 h VAL 19 Ca 0.27 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2k85 h VAL 19 Cb 0.41 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2k85 h VAL 19 CO -0.42 0.11 -0.21 0.77 0.02 0.00 0.00 177.57 177.84 2k85 h SER 20 N 0.61 0.00 1.80 0.57 4.64 -0.03 0.79 113.55 121.93 2k85 h SER 20 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2k85 h SER 20 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2k85 h SER 20 CO -0.16 0.21 -0.02 0.08 -0.87 0.00 0.00 176.83 176.07 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.23 -3.39 114.38 116.10 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 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2k85 h ARG 21 CO 0.03 0.00 -0.02 -0.89 0.10 0.00 0.00 179.97 179.19 2k85 n ILE 22 N -2.81 0.04 -2.14 0.08 2.08 -0.43 -4.96 119.36 111.22 2k85 n ILE 22 Ca 0.04 0.35 -0.43 0.00 0.56 0.00 0.00 62.75 63.28 2k85 n ILE 22 Cb 0.50 -1.38 -0.02 0.00 -0.75 0.00 0.00 39.64 37.99 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 -1.05 3.75 -0.04 1.39 1.01 0.27 -4.87 120.40 120.86 2k85 s VAL 23 Ca -0.01 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 62.74 2k85 s VAL 23 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2k85 s VAL 23 CO 0.01 -0.29 -0.17 1.17 0.00 0.00 0.00 175.10 175.83 2k85 n LYS 24 N 7.55 0.25 -0.24 2.72 3.00 -1.26 -4.23 118.16 125.95 2k85 n LYS 24 Ca 0.18 0.10 0.08 0.00 -0.00 0.00 0.00 58.31 58.67 2k85 n LYS 24 Cb 0.45 -0.93 0.22 0.00 0.00 0.00 0.00 35.03 34.77 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 -3.91 2.61 0.00 3.14 0.23 -1.26 -4.93 115.26 111.14 2k85 n ASN 25 Ca -0.07 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 2k85 n ASN 25 Cb 0.25 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 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 0.93 0.00 0.77 -2.53 1.44 -1.26 -4.74 115.22 109.83 2k85 n HIS 26 Ca 0.16 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.87 2k85 n HIS 26 Cb 0.41 -0.57 0.03 0.00 0.12 0.00 0.00 29.99 29.99 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 2.21 -4.61 4.39 3.02 -1.26 -4.80 115.26 114.21 2k85 n ASN 27 Ca 0.00 -2.14 -0.28 0.00 -0.03 0.00 0.00 54.58 52.13 2k85 n ASN 27 Cb 0.00 -0.53 0.12 0.00 -0.61 0.00 0.00 39.78 38.76 2k85 n ASN 27 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k85 s GLU 28 N -0.83 1.52 -0.15 3.52 8.01 -1.26 -5.09 118.70 124.41 2k85 s GLU 28 Ca 0.06 -0.28 0.01 0.00 0.01 0.00 0.00 54.97 54.77 2k85 s GLU 28 Cb 0.05 -2.00 0.02 0.00 -4.31 0.00 0.00 34.13 27.88 2k85 s GLU 28 CO 0.02 -1.79 -0.19 -0.80 0.01 0.00 0.00 175.26 172.50 2k85 s ASN 29 N -4.69 2.97 0.25 -0.19 0.01 -1.26 -5.04 114.94 106.98 2k85 s ASN 29 Ca 0.66 -0.58 -0.13 0.00 -0.71 0.00 0.00 52.86 52.10 2k85 s ASN 29 Cb -0.08 -1.37 0.33 0.00 0.41 0.00 0.00 41.25 40.54 2k85 s ASN 29 CO 0.49 0.02 1.52 1.87 -1.51 0.00 0.00 177.10 179.49 2k85 n TRP 30 N 4.43 0.17 -0.09 2.20 -0.00 -1.26 -1.42 117.44 121.47 2k85 n TRP 30 Ca -0.20 1.20 -0.08 0.00 -0.00 0.00 0.00 57.50 58.42 2k85 n TRP 30 Cb 0.51 -0.95 -0.01 0.00 -0.00 0.00 0.00 31.31 30.86 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 0.28 -0.89 5.87 -0.00 -1.97 0.71 115.31 119.31 2k85 h LEU 31 Ca 0.40 0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 58.17 2k85 h LEU 31 Cb 0.64 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 2k85 h LEU 31 CO -0.99 0.21 -0.54 0.28 -0.00 0.00 0.00 178.44 177.40 2k85 h SER 32 N 0.36 0.00 1.12 -0.43 0.02 -1.70 0.54 113.55 113.45 2k85 h SER 32 Ca 0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 2k85 h SER 32 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2k85 h SER 32 CO -0.07 0.54 -0.65 -0.37 -1.14 0.00 0.00 176.83 175.14 2k85 h VAL 33 N 0.00 1.21 -0.32 2.27 -1.51 -0.06 0.37 116.25 118.21 2k85 h VAL 33 Ca -0.01 -2.47 -0.17 0.00 -1.23 0.00 0.00 66.70 62.83 2k85 h VAL 33 Cb 0.98 2.44 -0.00 0.00 -2.13 0.00 0.00 31.29 32.57 2k85 h VAL 33 CO 0.07 0.64 -0.47 -1.28 -1.23 0.00 0.00 177.57 175.30 2k85 h SER 34 N 0.00 0.92 -0.33 4.19 0.87 0.59 0.40 113.55 120.19 2k85 h SER 34 Ca -0.01 -0.45 0.07 0.00 -1.23 0.00 0.00 61.79 60.17 2k85 h SER 34 Cb 1.39 -0.26 -0.08 0.00 -0.44 0.00 0.00 62.40 63.01 2k85 h SER 34 CO 0.08 1.23 -0.20 -0.09 -0.53 0.00 0.00 176.83 177.33 2k85 h ARG 35 N 0.67 -0.15 0.34 2.24 9.65 0.40 0.42 114.38 127.95 2k85 h ARG 35 Ca 0.04 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2k85 h ARG 35 Cb 1.05 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2k85 h ARG 35 CO 0.10 -0.10 -0.22 0.87 2.80 0.00 0.00 179.97 183.42 2k85 h LYS 36 N -0.16 -0.52 -0.30 0.20 1.57 -0.88 -3.30 116.57 113.18 2k85 h LYS 36 Ca 0.17 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 2k85 h LYS 36 Cb 0.42 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2k85 h LYS 36 CO -0.42 -0.34 0.36 0.52 -0.57 0.00 0.00 179.45 178.99 2k85 h MET 37 N -0.54 0.00 -0.03 3.15 2.86 0.13 -2.59 114.93 117.91 2k85 h MET 37 Ca -0.05 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2k85 h MET 37 Cb 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2k85 h MET 37 CO 0.04 0.00 0.03 -0.56 1.06 0.00 0.00 176.91 177.48 2k85 h GLN 38 N 0.00 0.00 -1.00 1.72 -0.00 -0.25 -0.39 115.11 115.19 2k85 h GLN 38 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 2k85 h GLN 38 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.34 2k85 h GLN 38 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.83 2k85 n ALA 39 N -2.36 2.50 -3.46 0.06 0.00 -0.98 -4.69 120.51 111.58 2k85 n ALA 39 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2k85 n ALA 39 Cb 0.12 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.41 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 0.31 1.72 0.28 0.00 0.01 -0.16 -5.04 113.70 110.82 2k85 s SER 40 Ca 0.00 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2k85 s SER 40 Cb 0.00 -0.80 0.64 0.00 0.21 0.00 0.00 66.02 66.07 2k85 s SER 40 CO 0.00 0.03 1.69 1.55 0.41 0.00 0.00 173.24 176.92 2k85 h PRO 41 N 6.97 0.35 -0.32 12.44 0.13 -1.86 -1.97 132.00 147.74 2k85 h PRO 41 Ca -0.31 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.65 2k85 h PRO 41 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2k85 h PRO 41 CO 0.47 0.23 -0.37 0.93 -0.23 0.00 0.00 178.00 179.03 2k85 h GLU 42 N 0.36 0.74 -0.23 0.86 4.39 -1.96 -0.77 114.58 117.98 2k85 h GLU 42 Ca 0.51 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.85 2k85 h GLU 42 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2k85 h GLU 42 CO -0.53 0.99 0.13 -0.92 -1.16 0.00 0.00 179.01 177.53 2k85 h TYR 43 N 0.61 0.25 0.29 4.33 5.03 -1.63 -2.50 116.97 123.36 2k85 h TYR 43 Ca 0.06 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 2k85 h TYR 43 Cb 0.92 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.11 2k85 h TYR 43 CO 0.05 0.15 -0.28 1.96 -1.32 0.00 0.00 178.16 178.72 2k85 h GLN 44 N 0.27 -0.54 -0.53 1.82 1.08 -1.03 -1.53 115.11 114.66 2k85 h GLN 44 Ca 0.09 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.43 2k85 h GLN 44 Cb -0.01 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.46 2k85 h GLN 44 CO -0.04 -0.36 0.03 0.22 -0.95 0.00 0.00 178.83 177.73 2k85 h ASP 45 N -0.56 -0.17 -0.52 1.46 3.58 -1.17 0.24 116.42 119.28 2k85 h ASP 45 Ca -0.04 0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 2k85 h ASP 45 Cb 0.48 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2k85 h ASP 45 CO -0.03 -0.06 -0.16 0.22 -2.88 0.00 0.00 179.24 176.33 2k85 h TYR 46 N 0.15 1.17 0.00 0.28 3.20 -1.45 -1.37 116.97 118.94 2k85 h TYR 46 Ca 0.27 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2k85 h TYR 46 Cb 0.41 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2k85 h TYR 46 CO -0.30 1.10 -0.35 0.28 -1.64 0.00 0.00 178.16 177.25 2k85 h VAL 47 N 0.90 0.74 0.15 1.81 2.07 -0.35 -1.22 116.25 120.34 2k85 h VAL 47 Ca 0.13 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2k85 h VAL 47 Cb 0.74 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2k85 h VAL 47 CO 0.06 0.34 -0.07 0.22 0.02 0.00 0.00 177.57 178.14 2k85 h TYR 48 N 0.00 -0.18 0.00 1.57 3.20 -0.26 -2.09 116.97 119.21 2k85 h TYR 48 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k85 h TYR 48 Cb 0.97 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 2k85 h TYR 48 CO 0.00 0.15 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.60 2k85 h LEU 49 N -0.53 -0.00 0.00 2.82 3.38 -1.05 -3.41 115.31 116.52 2k85 h LEU 49 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2k85 h LEU 49 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k85 h LEU 49 CO 0.03 -0.00 -0.82 1.21 0.09 0.00 0.00 178.44 178.95 2k85 n GLU 50 N -2.24 0.49 0.00 1.13 4.07 -0.48 -5.11 120.64 118.51 2k85 n GLU 50 Ca -0.00 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 2k85 n GLU 50 Cb 0.00 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 29.72 2k85 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k85 n GLY 51 N 1.54 2.24 0.16 8.31 0.00 -0.78 -4.92 105.19 111.75 2k85 n GLY 51 Ca -0.15 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.24 2k85 n GLY 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k85 h THR 52 N 2.51 0.00 0.12 2.61 1.35 -1.92 -3.25 112.91 114.33 2k85 h THR 52 Ca 0.00 -0.89 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 2k85 h THR 52 Cb 0.00 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2k85 h THR 52 CO 0.00 0.00 -0.06 1.56 -0.25 0.00 0.00 175.52 176.77 2k85 h GLN 53 N 0.00 -0.16 0.00 4.72 4.20 -1.96 0.58 115.11 122.49 2k85 h GLN 53 Ca 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2k85 h GLN 53 Cb 0.95 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 2k85 h GLN 53 CO 0.00 0.31 -0.09 0.87 -0.67 0.00 0.00 178.83 179.25 2k85 h LYS 54 N -0.79 0.00 -0.18 1.46 1.57 -1.93 0.33 116.57 117.03 2k85 h LYS 54 Ca -0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 2k85 h LYS 54 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 2k85 h LYS 54 CO 0.03 0.09 -0.66 0.00 -0.57 0.00 0.00 179.45 178.34 2k85 h ALA 55 N 1.91 0.32 0.22 3.86 0.00 -1.55 0.79 119.26 124.80 2k85 h ALA 55 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2k85 h ALA 55 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k85 h ALA 55 CO 0.01 0.61 -0.11 -0.22 0.00 0.00 0.00 179.25 179.55 2k85 h LYS 56 N 0.49 -0.28 -0.81 0.00 3.64 0.70 0.22 116.57 120.53 2k85 h LYS 56 Ca -0.03 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.55 2k85 h LYS 56 Cb 1.29 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 33.06 2k85 h LYS 56 CO 0.14 -0.11 0.27 0.87 -2.27 0.00 0.00 179.45 178.35 2k85 h LYS 57 N -0.40 0.33 -0.42 1.90 6.56 -0.34 0.25 116.57 124.45 2k85 h LYS 57 Ca -0.03 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2k85 h LYS 57 Cb 0.31 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 2k85 h LYS 57 CO 0.05 0.22 0.23 1.25 -2.06 0.00 0.00 179.45 179.14 2k85 h LEU 58 N 0.34 0.53 -0.40 2.94 5.85 0.96 0.31 115.31 125.83 2k85 h LEU 58 Ca 0.47 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.17 2k85 h LEU 58 Cb 0.84 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 2k85 h LEU 58 CO -0.51 0.46 0.06 0.15 -0.34 0.00 0.00 178.44 178.26 2k85 h PHE 59 N 0.55 0.08 0.03 1.25 3.57 0.83 -0.15 116.94 123.10 2k85 h PHE 59 Ca 0.15 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2k85 h PHE 59 Cb 0.05 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2k85 h PHE 59 CO -0.02 -0.02 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.77 2k85 h LEU 60 N 0.18 -0.57 0.01 0.59 -0.00 0.11 0.43 115.31 116.06 2k85 h LEU 60 Ca 0.20 0.08 0.03 0.00 -0.00 0.00 0.00 57.88 58.19 2k85 h LEU 60 Cb 0.25 0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 2k85 h LEU 60 CO -0.28 -0.26 -0.33 1.56 -0.00 0.00 0.00 178.44 179.13 2k85 h GLN 61 N -0.33 -0.47 -0.80 1.13 1.08 -0.77 -0.58 115.11 114.37 2k85 h GLN 61 Ca 0.05 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.44 2k85 h GLN 61 Cb 0.39 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 27.83 2k85 h GLN 61 CO -0.16 -0.31 0.35 1.25 -0.95 0.00 0.00 178.83 179.01 2k85 h HIS 62 N -0.48 0.60 -0.58 2.96 2.76 -0.69 0.19 115.15 119.90 2k85 h HIS 62 Ca 0.06 0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.38 2k85 h HIS 62 Cb 0.57 -0.14 -0.10 0.00 1.55 0.00 0.00 27.41 29.29 2k85 h HIS 62 CO -0.34 0.08 -0.01 0.82 -1.30 0.00 0.00 177.93 177.18 2k85 h ILE 63 N 0.48 0.52 0.36 6.26 1.08 0.10 0.28 117.51 126.60 2k85 h ILE 63 Ca 0.45 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.87 2k85 h ILE 63 Cb 0.71 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2k85 h ILE 63 CO -0.41 0.02 -0.25 -0.74 -0.69 0.00 0.00 178.15 176.08 2k85 h HIS 64 N 0.11 -0.66 -0.54 1.37 -0.00 0.76 -1.27 115.15 114.93 2k85 h HIS 64 Ca 0.30 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.77 2k85 h HIS 64 Cb 0.47 0.24 -0.10 0.00 -0.00 0.00 0.00 27.41 28.02 2k85 h HIS 64 CO -0.36 -0.38 -0.14 0.00 -0.00 0.00 0.00 177.93 177.05 2k85 h ARG 65 N -0.60 -0.01 -0.63 5.26 3.08 -0.28 0.33 114.38 121.54 2k85 h ARG 65 Ca -0.03 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.14 2k85 h ARG 65 Cb 0.51 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.44 2k85 h ARG 65 CO 0.02 -0.00 -0.17 -0.07 -1.07 0.00 0.00 179.97 178.68 2k85 h LEU 66 N -0.01 -0.61 -0.18 3.04 3.38 -0.07 -2.42 115.31 118.44 2k85 h LEU 66 Ca 0.26 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 2k85 h LEU 66 Cb 0.40 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2k85 h LEU 66 CO -0.55 -0.21 -0.06 0.11 0.09 0.00 0.00 178.44 177.81 2k85 h LYS 67 N -0.01 0.37 -0.36 1.13 1.57 0.06 -3.46 116.57 115.86 2k85 h LYS 67 Ca 0.30 -0.15 0.24 0.00 -1.87 0.00 0.00 60.65 59.17 2k85 h LYS 67 Cb 0.47 -0.02 -0.24 0.00 0.08 0.00 0.00 32.23 32.52 2k85 h LYS 67 CO -0.65 0.65 0.34 -3.38 -0.57 0.00 0.00 179.45 175.83 2k85 s HIS 68 N -4.67 -0.32 -2.42 -1.35 -3.43 0.10 -5.11 115.29 98.09 2k85 s HIS 68 Ca -0.14 0.47 0.19 0.00 -0.80 0.00 0.00 55.06 54.78 2k85 s HIS 68 Cb 0.06 0.16 0.15 0.00 -1.43 0.00 0.00 32.58 31.52 2k85 s HIS 68 CO 0.74 -0.17 1.11 0.39 -2.00 0.00 0.00 174.74 174.82