#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 0.00 0.08 4.33 6.02 -1.26 -4.43 117.38 122.13 2k85 n GLN 6 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2k85 n GLN 6 Cb 0.00 -0.01 0.62 0.00 1.02 0.00 0.00 30.24 31.87 2k85 n GLN 6 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2k85 h GLN 7 N 0.00 0.11 -0.48 -1.09 5.75 -2.03 -0.25 115.11 117.13 2k85 h GLN 7 Ca 0.00 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.60 2k85 h GLN 7 Cb 0.00 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2k85 h GLN 7 CO 0.00 0.07 0.33 0.82 -2.65 0.00 0.00 178.83 177.40 2k85 h ILE 8 N 0.11 0.83 0.00 2.39 2.04 -2.00 -1.50 117.51 119.38 2k85 h ILE 8 Ca 0.15 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2k85 h ILE 8 Cb 0.47 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2k85 h ILE 8 CO -0.02 0.03 -0.96 0.00 0.00 0.00 0.00 178.15 177.20 2k85 n ALA 9 N -2.58 0.79 -0.27 1.87 0.00 -0.18 -4.15 120.51 115.98 2k85 n ALA 9 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2k85 n ALA 9 Cb 0.45 0.02 0.20 0.00 0.00 0.00 0.00 19.45 20.12 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 1.20 -0.42 0.00 1.35 -1.39 0.41 112.91 113.07 2k85 h THR 10 Ca -0.04 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 2k85 h THR 10 Cb 0.92 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 2k85 h THR 10 CO -0.02 0.21 0.13 0.00 -0.25 0.00 0.00 175.52 175.58 2k85 h ALA 11 N 1.48 0.55 -0.46 6.62 0.00 -1.50 0.11 119.26 126.06 2k85 h ALA 11 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2k85 h ALA 11 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2k85 h ALA 11 CO -0.07 0.20 0.04 -0.22 0.00 0.00 0.00 179.25 179.19 2k85 h LYS 12 N 0.53 0.79 -0.32 0.00 3.64 -1.51 0.33 116.57 120.02 2k85 h LYS 12 Ca 0.13 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2k85 h LYS 12 Cb 0.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2k85 h LYS 12 CO -0.00 0.82 0.17 0.22 -2.27 0.00 0.00 179.45 178.39 2k85 h ASP 13 N 0.64 0.40 0.27 4.20 3.58 0.07 0.77 116.42 126.35 2k85 h ASP 13 Ca 0.13 -0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 2k85 h ASP 13 Cb 0.45 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2k85 h ASP 13 CO 0.02 0.38 -0.69 0.50 -2.88 0.00 0.00 179.24 176.57 2k85 h LYS 14 N 0.39 0.38 -0.89 0.28 3.64 -0.77 -1.77 116.57 117.83 2k85 h LYS 14 Ca 0.11 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2k85 h LYS 14 Cb 0.07 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2k85 h LYS 14 CO -0.02 0.92 0.59 -0.92 -2.27 0.00 0.00 179.45 177.75 2k85 h TYR 15 N 0.26 1.11 -0.07 1.91 3.20 -0.52 0.15 116.97 123.01 2k85 h TYR 15 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2k85 h TYR 15 Cb 1.25 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2k85 h TYR 15 CO 0.04 0.68 -0.04 0.93 -1.64 0.00 0.00 178.16 178.13 2k85 h GLU 16 N 1.18 0.10 -0.02 1.82 5.08 0.11 0.14 114.58 122.98 2k85 h GLU 16 Ca 0.34 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.44 2k85 h GLU 16 Cb -0.10 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k85 h GLU 16 CO -0.09 0.15 -0.96 2.35 -1.00 0.00 0.00 179.01 179.46 2k85 h TRP 17 N 0.10 0.89 -0.58 4.33 7.01 -0.49 -2.58 115.95 124.62 2k85 h TRP 17 Ca 0.02 -0.47 0.12 0.00 2.11 0.00 0.00 58.89 60.67 2k85 h TRP 17 Cb 0.14 -0.11 -0.09 0.00 -2.10 0.00 0.00 29.16 27.00 2k85 h TRP 17 CO 0.00 1.30 0.04 -0.07 -2.79 0.00 0.00 178.44 176.91 2k85 h LEU 18 N 0.36 -0.18 -0.91 0.65 -0.00 0.17 1.47 115.31 116.86 2k85 h LEU 18 Ca -0.10 0.13 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 2k85 h LEU 18 Cb 1.60 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 42.48 2k85 h LEU 18 CO 0.18 -0.07 -0.35 1.62 -0.00 0.00 0.00 178.44 179.82 2k85 h VAL 19 N 0.15 1.29 0.00 1.22 3.04 -0.90 -1.99 116.25 119.06 2k85 h VAL 19 Ca 0.30 -1.42 -0.05 0.00 -1.01 0.00 0.00 66.70 64.53 2k85 h VAL 19 Cb 0.48 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2k85 h VAL 19 CO -0.47 0.44 -0.22 0.77 -1.01 0.00 0.00 177.57 177.07 2k85 h SER 20 N 0.32 0.00 1.75 3.17 4.64 -0.61 0.11 113.55 122.94 2k85 h SER 20 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2k85 h SER 20 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2k85 h SER 20 CO 0.06 0.22 -0.12 0.08 -0.87 0.00 0.00 176.83 176.21 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 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k85 h ARG 21 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2k85 h ARG 21 CO 0.03 0.12 -0.02 -0.89 0.10 0.00 0.00 179.97 179.30 2k85 n ILE 22 N -3.14 0.04 -1.82 0.08 2.08 -0.80 -4.90 119.36 110.89 2k85 n ILE 22 Ca 0.03 0.40 -0.38 0.00 0.56 0.00 0.00 62.75 63.36 2k85 n ILE 22 Cb 0.55 -1.43 -0.03 0.00 -0.75 0.00 0.00 39.64 37.98 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 3.21 -0.23 1.39 1.01 0.39 -4.79 120.40 120.33 2k85 s VAL 23 Ca -0.01 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 2k85 s VAL 23 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 2k85 s VAL 23 CO 0.01 -0.45 -0.34 0.29 0.00 0.00 0.00 175.10 174.61 2k85 n LYS 24 N 9.00 0.54 -0.39 2.72 4.76 -1.26 -4.38 118.16 129.15 2k85 n LYS 24 Ca 0.27 0.23 0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2k85 n LYS 24 Cb 0.52 -1.42 0.29 0.00 -1.84 0.00 0.00 35.03 32.58 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 -4.27 3.68 0.00 4.39 0.23 -1.26 -4.92 115.26 113.12 2k85 n ASN 25 Ca -0.39 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 2k85 n ASN 25 Cb 0.74 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 1.29 0.00 -0.34 -2.53 1.44 -1.26 -4.74 115.22 109.08 2k85 n HIS 26 Ca 0.22 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.79 2k85 n HIS 26 Cb 0.61 -1.32 0.10 0.00 0.12 0.00 0.00 29.99 29.50 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 3.73 -4.78 4.39 3.02 -1.26 -4.83 115.26 115.53 2k85 n ASN 27 Ca 0.00 -2.95 -0.18 0.00 -0.03 0.00 0.00 54.58 51.42 2k85 n ASN 27 Cb 0.00 -0.73 0.06 0.00 -0.61 0.00 0.00 39.78 38.51 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 -0.39 0.63 -3.87 3.52 -0.58 -1.26 -5.13 120.64 113.55 2k85 n GLU 28 Ca 0.34 -2.96 -0.23 0.00 -0.42 0.00 0.00 57.16 53.89 2k85 n GLU 28 Cb 1.12 -0.22 -0.17 0.00 -0.57 0.00 0.00 31.44 31.60 2k85 n GLU 28 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2k85 s ASN 29 N -4.40 1.58 0.15 1.62 2.47 -1.26 -5.06 114.94 110.05 2k85 s ASN 29 Ca 0.57 -0.13 -0.12 0.00 0.42 0.00 0.00 52.86 53.59 2k85 s ASN 29 Cb -0.05 -0.52 0.15 0.00 -1.45 0.00 0.00 41.25 39.38 2k85 s ASN 29 CO 0.36 -0.15 1.04 1.87 -3.72 0.00 0.00 177.10 176.50 2k85 n TRP 30 N 4.90 -0.00 0.13 0.43 -0.00 -1.26 -1.45 117.44 120.19 2k85 n TRP 30 Ca -0.11 0.82 -0.13 0.00 -0.00 0.00 0.00 57.50 58.08 2k85 n TRP 30 Cb 0.50 -0.74 -0.06 0.00 -0.00 0.00 0.00 31.31 31.02 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 -0.72 -0.98 5.87 -0.00 -1.98 0.58 115.31 118.07 2k85 h LEU 31 Ca 0.22 0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 58.13 2k85 h LEU 31 Cb 0.39 0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 2k85 h LEU 31 CO -0.66 -0.36 0.12 0.28 -0.00 0.00 0.00 178.44 177.82 2k85 h SER 32 N -0.49 0.80 0.58 -0.43 0.02 -1.69 -1.96 113.55 110.38 2k85 h SER 32 Ca 0.02 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 2k85 h SER 32 Cb 0.50 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2k85 h SER 32 CO -0.12 0.80 -0.48 -0.37 -1.14 0.00 0.00 176.83 175.51 2k85 h VAL 33 N 0.82 1.26 -0.53 2.27 -1.51 -0.56 -1.66 116.25 116.35 2k85 h VAL 33 Ca 0.18 -1.71 -0.05 0.00 -1.23 0.00 0.00 66.70 63.89 2k85 h VAL 33 Cb 0.32 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 2k85 h VAL 33 CO 0.00 0.47 0.11 -1.28 -1.23 0.00 0.00 177.57 175.64 2k85 h SER 34 N 0.00 0.76 -0.03 4.19 0.87 0.52 0.86 113.55 120.72 2k85 h SER 34 Ca -0.00 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2k85 h SER 34 Cb 0.90 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 2k85 h SER 34 CO 0.06 0.77 -0.10 0.03 -0.53 0.00 0.00 176.83 177.06 2k85 h ARG 35 N 0.78 -0.15 -0.07 2.24 3.08 -0.63 0.24 114.38 119.87 2k85 h ARG 35 Ca 0.17 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2k85 h ARG 35 Cb 0.32 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2k85 h ARG 35 CO 0.00 -0.10 -0.10 0.87 -1.07 0.00 0.00 179.97 179.58 2k85 h LYS 36 N -0.16 -0.13 0.00 0.04 1.57 -0.85 -3.11 116.57 113.93 2k85 h LYS 36 Ca 0.05 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2k85 h LYS 36 Cb 0.22 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2k85 h LYS 36 CO -0.12 -0.09 -0.13 0.52 -0.57 0.00 0.00 179.45 179.06 2k85 h MET 37 N -0.13 0.00 0.00 3.15 2.86 0.11 -3.45 114.93 117.46 2k85 h MET 37 Ca 0.06 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 2k85 h MET 37 Cb 0.22 0.00 0.08 0.00 0.06 0.00 0.00 31.60 31.95 2k85 h MET 37 CO -0.15 0.13 0.07 0.00 1.06 0.00 0.00 176.91 178.03 2k85 n GLN 38 N -3.58 -1.63 -3.40 1.72 10.64 0.80 -3.99 117.38 117.94 2k85 n GLN 38 Ca -0.01 -0.73 -0.25 0.00 -1.83 0.00 0.00 57.00 54.18 2k85 n GLN 38 Cb 0.27 -0.64 0.02 0.00 -0.86 0.00 0.00 30.24 29.03 2k85 n GLN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k85 n ALA 39 N -3.68 -1.10 -3.74 2.61 0.00 -1.26 -4.98 120.51 108.36 2k85 n ALA 39 Ca -0.08 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 2k85 n ALA 39 Cb 0.24 -3.70 -0.15 0.00 0.00 0.00 0.00 19.45 15.84 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 -2.89 -0.04 0.38 0.00 0.01 -1.26 -5.05 113.70 104.86 2k85 s SER 40 Ca 0.45 0.20 0.13 0.00 1.31 0.00 0.00 55.95 58.03 2k85 s SER 40 Cb -0.22 0.09 0.93 0.00 0.21 0.00 0.00 66.02 67.04 2k85 s SER 40 CO 0.55 -0.14 1.86 1.55 0.41 0.00 0.00 173.24 177.47 2k85 h PRO 41 N 7.24 0.55 -0.08 12.44 0.13 -1.93 0.17 132.00 150.51 2k85 h PRO 41 Ca -0.44 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2k85 h PRO 41 Cb 1.13 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2k85 h PRO 41 CO 0.45 0.36 -0.10 0.93 -0.23 0.00 0.00 178.00 179.40 2k85 h GLU 42 N 0.56 0.21 -0.09 0.86 3.07 -1.94 -0.97 114.58 116.28 2k85 h GLU 42 Ca 0.46 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 59.21 2k85 h GLU 42 Cb 0.91 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 2k85 h GLU 42 CO -0.20 0.67 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.16 2k85 h TYR 43 N -0.23 -0.01 0.57 4.33 5.03 -1.51 -2.37 116.97 122.77 2k85 h TYR 43 Ca 0.01 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 2k85 h TYR 43 Cb 0.64 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.94 2k85 h TYR 43 CO 0.10 -0.01 -0.28 1.96 -1.32 0.00 0.00 178.16 178.60 2k85 h GLN 44 N 0.03 -0.75 -0.69 1.82 1.08 -1.04 -2.29 115.11 113.28 2k85 h GLN 44 Ca 0.04 0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.42 2k85 h GLN 44 Cb 0.05 0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 27.52 2k85 h GLN 44 CO -0.07 -0.50 -0.25 0.22 -0.95 0.00 0.00 178.83 177.28 2k85 h ASP 45 N -0.78 -0.90 -0.45 1.46 3.58 -1.20 0.35 116.42 118.48 2k85 h ASP 45 Ca -0.08 0.23 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 2k85 h ASP 45 Cb 0.60 0.51 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 2k85 h ASP 45 CO 0.12 -0.27 -0.10 0.22 -2.88 0.00 0.00 179.24 176.34 2k85 h TYR 46 N -0.07 1.02 0.00 0.28 3.20 -1.47 0.33 116.97 120.25 2k85 h TYR 46 Ca 0.30 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2k85 h TYR 46 Cb 0.54 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2k85 h TYR 46 CO -0.62 0.96 -0.07 0.28 -1.64 0.00 0.00 178.16 177.07 2k85 h VAL 47 N 0.83 0.15 0.09 1.81 2.07 -0.51 0.12 116.25 120.80 2k85 h VAL 47 Ca 0.14 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2k85 h VAL 47 Cb 0.63 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2k85 h VAL 47 CO 0.04 0.07 -0.04 0.22 0.02 0.00 0.00 177.57 177.88 2k85 h TYR 48 N 0.00 -0.11 0.92 1.57 3.20 0.34 -2.23 116.97 120.67 2k85 h TYR 48 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2k85 h TYR 48 Cb 0.76 0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.07 2k85 h TYR 48 CO 0.00 0.38 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.36 2k85 h LEU 49 N -0.93 -1.13 0.00 2.82 3.38 -0.92 -3.40 115.31 115.12 2k85 h LEU 49 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k85 h LEU 49 Cb 0.53 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2k85 h LEU 49 CO 0.02 -0.78 -0.43 -0.62 0.09 0.00 0.00 178.44 176.72 2k85 n GLU 50 N -5.51 0.32 0.00 1.13 -0.58 0.39 -5.10 120.64 111.30 2k85 n GLU 50 Ca -0.16 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2k85 n GLU 50 Cb 0.51 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 1.61 3.29 0.29 0.62 0.00 -0.84 -4.78 105.19 105.38 2k85 n GLY 51 Ca -0.06 -1.77 0.18 0.00 0.00 0.00 0.00 46.02 44.37 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 0.82 0.00 0.10 2.61 1.35 -1.89 -1.75 112.91 114.14 2k85 h THR 52 Ca 0.00 -0.41 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2k85 h THR 52 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2k85 h THR 52 CO 0.00 0.00 -0.05 1.56 -0.25 0.00 0.00 175.52 176.78 2k85 h GLN 53 N 0.00 -0.13 -0.59 4.72 1.08 -1.94 0.13 115.11 118.39 2k85 h GLN 53 Ca 0.00 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2k85 h GLN 53 Cb 0.41 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 2k85 h GLN 53 CO 0.00 0.39 0.12 0.87 -0.95 0.00 0.00 178.83 179.26 2k85 h LYS 54 N -0.80 0.93 -0.04 1.46 1.57 -1.85 0.35 116.57 118.19 2k85 h LYS 54 Ca -0.01 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 2k85 h LYS 54 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2k85 h LYS 54 CO 0.02 0.85 -0.25 0.00 -0.57 0.00 0.00 179.45 179.50 2k85 h ALA 55 N 1.24 1.52 0.08 3.86 0.00 -1.36 0.39 119.26 124.99 2k85 h ALA 55 Ca 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k85 h ALA 55 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k85 h ALA 55 CO 0.00 0.35 -0.04 -0.22 0.00 0.00 0.00 179.25 179.35 2k85 h LYS 56 N 0.06 -0.10 -0.98 0.00 3.64 0.18 0.23 116.57 119.61 2k85 h LYS 56 Ca 0.01 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 2k85 h LYS 56 Cb 0.47 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.22 2k85 h LYS 56 CO 0.03 0.42 0.59 0.87 -2.27 0.00 0.00 179.45 179.09 2k85 h LYS 57 N -0.71 0.82 -0.39 1.90 6.56 -0.81 0.63 116.57 124.57 2k85 h LYS 57 Ca -0.01 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2k85 h LYS 57 Cb 0.57 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 2k85 h LYS 57 CO 0.02 0.54 0.23 1.25 -2.06 0.00 0.00 179.45 179.43 2k85 h LEU 58 N 0.85 0.47 -0.21 2.94 5.85 -0.10 -0.26 115.31 124.85 2k85 h LEU 58 Ca 0.52 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.23 2k85 h LEU 58 Cb 0.67 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2k85 h LEU 58 CO -0.32 0.39 -0.11 0.15 -0.34 0.00 0.00 178.44 178.20 2k85 h PHE 59 N 0.51 -0.27 -0.46 1.25 3.57 0.41 -2.22 116.94 119.73 2k85 h PHE 59 Ca 0.14 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.75 2k85 h PHE 59 Cb 0.01 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 2k85 h PHE 59 CO -0.03 -0.17 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.69 2k85 h LEU 60 N -0.09 -0.41 0.04 0.59 -0.00 -0.39 0.47 115.31 115.52 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 0.27 0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2k85 h LEU 60 CO -0.27 -0.15 -0.16 1.56 -0.00 0.00 0.00 178.44 179.42 2k85 h GLN 61 N 0.00 -0.21 -0.89 1.13 1.08 -0.76 -0.10 115.11 115.36 2k85 h GLN 61 Ca 0.22 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.60 2k85 h GLN 61 Cb 0.33 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 2k85 h GLN 61 CO -0.47 -0.14 0.58 1.25 -0.95 0.00 0.00 178.83 179.10 2k85 h HIS 62 N -0.22 0.74 -0.33 2.96 2.76 -1.22 0.41 115.15 120.24 2k85 h HIS 62 Ca -0.00 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2k85 h HIS 62 Cb 0.22 -0.23 -0.07 0.00 1.55 0.00 0.00 27.41 28.89 2k85 h HIS 62 CO -0.33 0.24 -0.11 0.82 -1.30 0.00 0.00 177.93 177.24 2k85 h ILE 63 N 0.59 0.60 -0.42 6.26 1.08 -0.44 0.35 117.51 125.54 2k85 h ILE 63 Ca 0.46 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.94 2k85 h ILE 63 Cb 0.88 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 2k85 h ILE 63 CO -0.21 0.00 0.26 -0.74 -0.69 0.00 0.00 178.15 176.78 2k85 h HIS 64 N -0.05 0.50 -0.22 1.37 -0.00 0.16 0.16 115.15 117.06 2k85 h HIS 64 Ca 0.16 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2k85 h HIS 64 Cb 0.29 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 2k85 h HIS 64 CO -0.33 0.30 0.02 0.00 -0.00 0.00 0.00 177.93 177.92 2k85 h ARG 65 N 0.54 0.10 -0.63 5.26 2.47 -0.32 1.16 114.38 122.96 2k85 h ARG 65 Ca 0.16 -0.01 0.13 0.00 -1.26 0.00 0.00 59.98 59.00 2k85 h ARG 65 Cb -0.03 -0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.15 2k85 h ARG 65 CO -0.06 0.06 -0.16 -0.07 0.56 0.00 0.00 179.97 180.31 2k85 h LEU 66 N 0.10 -0.60 0.52 3.04 3.38 0.38 -2.30 115.31 119.83 2k85 h LEU 66 Ca 0.10 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2k85 h LEU 66 Cb 0.12 0.40 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2k85 h LEU 66 CO -0.16 -0.21 -0.25 0.11 0.09 0.00 0.00 178.44 178.02 2k85 h LYS 67 N -0.00 -0.67 -0.57 1.13 1.57 0.28 -3.45 116.57 114.86 2k85 h LYS 67 Ca 0.30 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.20 2k85 h LYS 67 Cb 0.47 0.15 -0.19 0.00 0.08 0.00 0.00 32.23 32.74 2k85 h LYS 67 CO -0.65 -0.41 -0.24 -3.38 -0.57 0.00 0.00 179.45 174.20 2k85 s HIS 68 N -5.66 -1.02 -2.00 -1.35 -3.43 0.39 -5.08 115.29 97.15 2k85 s HIS 68 Ca -0.16 0.28 0.01 0.00 -0.80 0.00 0.00 55.06 54.39 2k85 s HIS 68 Cb 0.03 0.18 0.06 0.00 -1.43 0.00 0.00 32.58 31.43 2k85 s HIS 68 CO 0.59 -0.66 0.56 0.39 -2.00 0.00 0.00 174.74 173.62