#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 2.81 0.00 -1.46 6.02 -1.26 -3.07 117.38 120.41 2k85 n GLN 6 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 2k85 n GLN 6 Cb 0.00 -2.92 0.00 0.00 1.02 0.00 0.00 30.24 28.34 2k85 n GLN 6 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2k85 n GLN 7 N 5.05 0.00 0.17 -1.09 0.00 -1.26 -4.65 117.38 115.59 2k85 n GLN 7 Ca 0.60 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 57.75 2k85 n GLN 7 Cb 0.29 -0.00 0.74 0.00 0.00 0.00 0.00 30.24 31.27 2k85 n GLN 7 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2k85 h ILE 8 N 0.00 0.70 0.00 1.69 2.04 -1.98 -2.51 117.51 117.45 2k85 h ILE 8 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k85 h ILE 8 Cb 0.00 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2k85 h ILE 8 CO 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 178.15 177.61 2k85 n ALA 9 N -2.48 1.87 -0.17 1.87 0.00 -1.26 -4.54 120.51 115.80 2k85 n ALA 9 Ca 0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 2k85 n ALA 9 Cb 0.32 0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.53 1.22 -0.69 0.00 1.35 -1.86 0.73 112.91 113.12 2k85 h THR 10 Ca -0.00 -0.69 -0.05 0.00 -0.55 0.00 0.00 66.41 65.11 2k85 h THR 10 Cb 0.54 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 2k85 h THR 10 CO -0.00 0.26 0.22 0.00 -0.25 0.00 0.00 175.52 175.75 2k85 h ALA 11 N 1.03 0.90 -0.42 6.62 0.00 -1.71 0.16 119.26 125.84 2k85 h ALA 11 Ca 0.16 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2k85 h ALA 11 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2k85 h ALA 11 CO -0.01 0.58 -0.31 -0.22 0.00 0.00 0.00 179.25 179.29 2k85 h LYS 12 N 1.01 0.96 -0.20 0.00 3.64 -1.54 -2.31 116.57 118.13 2k85 h LYS 12 Ca 0.22 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2k85 h LYS 12 Cb 0.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2k85 h LYS 12 CO -0.01 1.13 0.11 0.22 -2.27 0.00 0.00 179.45 178.63 2k85 h ASP 13 N 0.79 0.24 -0.57 4.20 3.58 0.11 0.30 116.42 125.07 2k85 h ASP 13 Ca 0.08 -0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 2k85 h ASP 13 Cb 0.90 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2k85 h ASP 13 CO 0.08 0.23 0.03 0.50 -2.88 0.00 0.00 179.24 177.21 2k85 h LYS 14 N 0.23 1.02 -0.82 0.28 3.64 -0.75 -1.88 116.57 118.30 2k85 h LYS 14 Ca 0.07 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 2k85 h LYS 14 Cb 0.04 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2k85 h LYS 14 CO -0.01 0.98 0.38 -0.92 -2.27 0.00 0.00 179.45 177.60 2k85 h TYR 15 N 0.94 1.19 -0.36 1.91 3.20 -0.97 0.98 116.97 123.86 2k85 h TYR 15 Ca 0.18 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2k85 h TYR 15 Cb 0.50 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2k85 h TYR 15 CO 0.03 0.87 0.24 0.93 -1.64 0.00 0.00 178.16 178.59 2k85 h GLU 16 N 1.17 0.46 -0.19 1.82 5.08 0.04 0.63 114.58 123.59 2k85 h GLU 16 Ca 0.28 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2k85 h GLU 16 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k85 h GLU 16 CO -0.03 0.31 -0.65 2.35 -1.00 0.00 0.00 179.01 179.98 2k85 h TRP 17 N 0.48 0.91 -0.59 4.33 7.01 -0.47 -2.33 115.95 125.29 2k85 h TRP 17 Ca 0.13 -0.36 0.12 0.00 2.11 0.00 0.00 58.89 60.89 2k85 h TRP 17 Cb -0.05 -0.16 -0.10 0.00 -2.10 0.00 0.00 29.16 26.76 2k85 h TRP 17 CO -0.00 1.16 0.03 -0.07 -2.79 0.00 0.00 178.44 176.77 2k85 h LEU 18 N 0.51 -0.20 -0.81 0.65 -0.00 0.13 1.34 115.31 116.94 2k85 h LEU 18 Ca -0.02 0.14 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2k85 h LEU 18 Cb 1.25 0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 42.10 2k85 h LEU 18 CO 0.13 -0.08 0.53 0.58 -0.00 0.00 0.00 178.44 179.60 2k85 h VAL 19 N 0.15 1.18 0.00 1.22 2.07 -1.15 -1.19 116.25 118.54 2k85 h VAL 19 Ca 0.31 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k85 h VAL 19 Cb 0.48 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2k85 h VAL 19 CO -0.48 0.19 0.00 0.77 0.02 0.00 0.00 177.57 178.08 2k85 h SER 20 N 1.07 0.00 1.34 0.57 4.64 0.23 0.90 113.55 122.29 2k85 h SER 20 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2k85 h SER 20 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2k85 h SER 20 CO -0.08 0.00 -0.53 0.08 -0.87 0.00 0.00 176.83 175.43 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.21 -3.40 114.38 116.07 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 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2k85 h ARG 21 CO 0.00 0.00 -0.27 -0.89 0.10 0.00 0.00 179.97 178.91 2k85 n ILE 22 N -2.68 0.53 -2.47 0.08 2.08 -0.50 -4.95 119.36 111.44 2k85 n ILE 22 Ca 0.02 0.31 -0.43 0.00 0.56 0.00 0.00 62.75 63.21 2k85 n ILE 22 Cb 0.51 -1.65 -0.02 0.00 -0.75 0.00 0.00 39.64 37.73 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 -1.62 4.20 -0.08 1.39 1.01 0.31 -4.90 120.40 120.71 2k85 s VAL 23 Ca -0.08 1.34 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 2k85 s VAL 23 Cb 0.01 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2k85 s VAL 23 CO 0.12 -0.54 -0.17 1.17 0.00 0.00 0.00 175.10 175.67 2k85 n LYS 24 N 7.33 0.27 -0.57 2.72 3.00 -1.26 -4.13 118.16 125.51 2k85 n LYS 24 Ca 0.14 0.11 0.08 0.00 -0.00 0.00 0.00 58.31 58.64 2k85 n LYS 24 Cb 0.47 -0.97 0.31 0.00 0.00 0.00 0.00 35.03 34.85 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 -3.81 4.30 0.00 3.14 0.23 -1.26 -4.90 115.26 112.96 2k85 n ASN 25 Ca -0.16 -2.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.44 2k85 n ASN 25 Cb 0.45 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 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 0.87 0.00 -0.45 -2.53 1.44 -1.26 -4.75 115.22 108.53 2k85 n HIS 26 Ca 0.22 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.78 2k85 n HIS 26 Cb 0.83 -1.20 0.11 0.00 0.12 0.00 0.00 29.99 29.85 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 3.66 -4.48 4.39 3.02 -1.26 -4.89 115.26 115.69 2k85 n ASN 27 Ca 0.00 -3.04 -0.25 0.00 -0.03 0.00 0.00 54.58 51.26 2k85 n ASN 27 Cb 0.00 -0.73 0.14 0.00 -0.61 0.00 0.00 39.78 38.58 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 -2.12 1.26 -0.21 3.52 0.41 -1.26 -5.10 118.70 115.20 2k85 s GLU 28 Ca 0.37 -1.09 0.01 0.00 -0.41 0.00 0.00 54.97 53.85 2k85 s GLU 28 Cb 0.31 -2.21 0.04 0.00 -1.78 0.00 0.00 34.13 30.49 2k85 s GLU 28 CO 0.07 -1.80 -0.11 1.21 -0.49 0.00 0.00 175.26 174.14 2k85 s ASN 29 N -4.84 3.55 0.26 -0.19 3.84 -1.26 -5.04 114.94 111.26 2k85 s ASN 29 Ca 0.70 -0.96 -0.10 0.00 0.21 0.00 0.00 52.86 52.71 2k85 s ASN 29 Cb -0.04 -1.29 0.39 0.00 -0.55 0.00 0.00 41.25 39.76 2k85 s ASN 29 CO 0.47 -0.15 1.58 -0.25 -2.79 0.00 0.00 177.10 175.96 2k85 h TRP 30 N 7.94 -0.48 -0.45 0.43 2.91 -1.98 0.42 115.95 124.73 2k85 h TRP 30 Ca -0.27 0.08 -0.02 0.00 1.13 0.00 0.00 58.89 59.81 2k85 h TRP 30 Cb 1.09 0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 30.07 2k85 h TRP 30 CO 0.52 -0.38 0.22 -0.07 -1.03 0.00 0.00 178.44 177.70 2k85 h LEU 31 N -0.00 0.59 -0.59 0.65 -0.00 -1.97 0.79 115.31 114.77 2k85 h LEU 31 Ca 0.42 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 58.04 2k85 h LEU 31 Cb 0.64 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 2k85 h LEU 31 CO -0.91 0.55 -0.34 0.28 -0.00 0.00 0.00 178.44 178.01 2k85 h SER 32 N 0.59 0.79 0.73 -0.43 0.02 -1.35 -0.77 113.55 113.12 2k85 h SER 32 Ca 0.16 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 2k85 h SER 32 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k85 h SER 32 CO -0.02 1.06 -0.39 -0.37 -1.14 0.00 0.00 176.83 175.96 2k85 h VAL 33 N 0.63 0.98 -0.08 2.27 -1.51 0.36 -1.95 116.25 116.95 2k85 h VAL 33 Ca 0.06 -1.52 -0.08 0.00 -1.23 0.00 0.00 66.70 63.94 2k85 h VAL 33 Cb 0.88 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2k85 h VAL 33 CO 0.08 0.39 -0.33 -1.28 -1.23 0.00 0.00 177.57 175.19 2k85 h SER 34 N 0.00 0.15 0.23 4.19 0.87 0.85 0.82 113.55 120.66 2k85 h SER 34 Ca -0.00 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2k85 h SER 34 Cb 0.86 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 2k85 h SER 34 CO 0.05 0.48 -0.34 0.03 -0.53 0.00 0.00 176.83 176.52 2k85 h ARG 35 N 0.13 -0.61 0.41 2.24 2.47 -0.40 0.21 114.38 118.83 2k85 h ARG 35 Ca 0.02 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2k85 h ARG 35 Cb 0.65 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 2k85 h ARG 35 CO 0.05 -0.41 -0.49 0.87 0.56 0.00 0.00 179.97 180.55 2k85 h LYS 36 N -0.64 -0.89 -0.57 0.04 1.57 -1.05 -3.23 116.57 111.82 2k85 h LYS 36 Ca 0.00 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2k85 h LYS 36 Cb 0.62 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2k85 h LYS 36 CO -0.13 -0.59 0.38 0.52 -0.57 0.00 0.00 179.45 179.05 2k85 h MET 37 N -0.92 0.46 -0.03 3.15 2.86 0.77 -2.87 114.93 118.34 2k85 h MET 37 Ca -0.05 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2k85 h MET 37 Cb 0.82 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2k85 h MET 37 CO -0.11 0.30 0.04 -0.56 1.06 0.00 0.00 176.91 177.65 2k85 h GLN 38 N 0.47 0.00 -0.66 1.72 -0.00 -0.59 0.64 115.11 116.69 2k85 h GLN 38 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 2k85 h GLN 38 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 2k85 h GLN 38 CO -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.76 2k85 n ALA 39 N -2.30 2.37 -2.95 0.06 0.00 -1.08 -4.70 120.51 111.91 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 0.13 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.37 1.17 0.39 0.00 0.01 0.22 -5.04 113.70 110.08 2k85 s SER 40 Ca 0.00 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.16 2k85 s SER 40 Cb 0.00 -0.27 0.83 0.00 0.21 0.00 0.00 66.02 66.79 2k85 s SER 40 CO 0.00 0.08 1.98 1.55 0.41 0.00 0.00 173.24 177.25 2k85 h PRO 41 N 6.28 0.62 -0.24 12.44 0.13 -1.84 -2.44 132.00 146.94 2k85 h PRO 41 Ca -0.33 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2k85 h PRO 41 Cb 1.17 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2k85 h PRO 41 CO 0.49 0.41 0.09 0.93 -0.23 0.00 0.00 178.00 179.69 2k85 h GLU 42 N 0.64 0.37 -0.67 0.86 3.07 -1.96 0.46 114.58 117.35 2k85 h GLU 42 Ca 0.28 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2k85 h GLU 42 Cb 0.28 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2k85 h GLU 42 CO -0.09 0.43 0.38 -0.92 -1.40 0.00 0.00 179.01 177.41 2k85 h TYR 43 N 0.23 0.90 0.25 4.33 5.03 -1.71 -0.82 116.97 125.18 2k85 h TYR 43 Ca 0.08 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 2k85 h TYR 43 Cb 0.20 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 2k85 h TYR 43 CO -0.00 0.63 -0.19 1.96 -1.32 0.00 0.00 178.16 179.24 2k85 h GLN 44 N 0.91 -0.41 -0.82 1.82 1.08 -0.98 -1.96 115.11 114.75 2k85 h GLN 44 Ca 0.24 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.56 2k85 h GLN 44 Cb 0.02 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 27.42 2k85 h GLN 44 CO -0.04 -0.27 -0.49 -0.44 -0.95 0.00 0.00 178.83 176.63 2k85 h ASP 45 N -0.43 -1.77 -0.04 1.46 3.32 -0.05 0.89 116.42 119.80 2k85 h ASP 45 Ca -0.03 0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 2k85 h ASP 45 Cb 0.35 0.81 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2k85 h ASP 45 CO 0.01 -0.29 -0.19 0.22 -1.72 0.00 0.00 179.24 177.26 2k85 h TYR 46 N -0.10 0.45 0.00 4.55 3.20 -1.16 0.66 116.97 124.57 2k85 h TYR 46 Ca 0.20 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 2k85 h TYR 46 Cb 0.52 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2k85 h TYR 46 CO -0.87 0.59 -0.41 0.28 -1.64 0.00 0.00 178.16 176.11 2k85 h VAL 47 N 0.38 0.74 0.11 1.81 2.07 -0.59 0.11 116.25 120.88 2k85 h VAL 47 Ca 0.06 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 2k85 h VAL 47 Cb 0.56 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2k85 h VAL 47 CO 0.04 0.40 -0.05 0.22 0.02 0.00 0.00 177.57 178.20 2k85 h TYR 48 N 0.00 -0.13 0.27 1.57 3.20 0.09 -2.59 116.97 119.38 2k85 h TYR 48 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2k85 h TYR 48 Cb 1.24 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2k85 h TYR 48 CO 0.00 0.33 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.65 2k85 h LEU 49 N -0.67 -0.30 0.00 2.82 3.38 -0.90 -3.42 115.31 116.21 2k85 h LEU 49 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k85 h LEU 49 Cb 0.52 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2k85 h LEU 49 CO 0.02 -0.20 0.00 -0.62 0.09 0.00 0.00 178.44 177.74 2k85 n GLU 50 N -3.06 0.00 0.00 1.13 -0.58 0.38 -5.09 120.64 113.42 2k85 n GLU 50 Ca -0.04 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2k85 n GLU 50 Cb 0.14 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 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 2.23 2.88 0.18 0.62 0.00 -0.97 -4.91 105.19 105.23 2k85 n GLY 51 Ca 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 1.18 0.53 2.61 2.02 -1.90 -1.48 112.91 116.87 2k85 h THR 52 Ca 0.00 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 2k85 h THR 52 Cb 0.00 1.77 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2k85 h THR 52 CO 0.00 0.39 -0.25 1.56 0.37 0.00 0.00 175.52 177.58 2k85 h GLN 53 N 0.00 -0.68 -0.20 6.66 4.20 -1.95 0.37 115.11 123.50 2k85 h GLN 53 Ca -0.00 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2k85 h GLN 53 Cb 0.74 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2k85 h GLN 53 CO 0.05 -0.38 0.05 0.87 -0.67 0.00 0.00 178.83 178.76 2k85 h LYS 54 N -1.04 0.28 -0.33 1.46 1.57 -1.90 0.27 116.57 116.89 2k85 h LYS 54 Ca -0.07 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2k85 h LYS 54 Cb 0.62 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2k85 h LYS 54 CO 0.12 0.27 -0.48 0.00 -0.57 0.00 0.00 179.45 178.78 2k85 h ALA 55 N 1.78 0.50 0.01 3.86 0.00 -1.23 0.12 119.26 124.31 2k85 h ALA 55 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k85 h ALA 55 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k85 h ALA 55 CO -0.00 0.67 -0.01 -0.22 0.00 0.00 0.00 179.25 179.69 2k85 h LYS 56 N 0.71 -0.01 -0.88 0.00 3.64 0.86 0.32 116.57 121.20 2k85 h LYS 56 Ca 0.03 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2k85 h LYS 56 Cb 1.09 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 2k85 h LYS 56 CO 0.11 0.00 0.57 0.87 -2.27 0.00 0.00 179.45 178.73 2k85 h LYS 57 N -0.03 0.79 -0.45 1.90 1.79 -0.46 0.12 116.57 120.24 2k85 h LYS 57 Ca -0.00 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 2k85 h LYS 57 Cb 0.02 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 2k85 h LYS 57 CO 0.00 0.52 -0.00 1.25 -1.08 0.00 0.00 179.45 180.15 2k85 h LEU 58 N 0.82 0.77 -0.31 2.94 5.85 -0.13 0.30 115.31 125.54 2k85 h LEU 58 Ca 0.42 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2k85 h LEU 58 Cb 0.49 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2k85 h LEU 58 CO -0.18 0.89 -0.30 0.15 -0.34 0.00 0.00 178.44 178.66 2k85 h PHE 59 N 0.63 -0.81 -0.34 1.25 3.57 0.90 -1.53 116.94 120.61 2k85 h PHE 59 Ca 0.13 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2k85 h PHE 59 Cb 0.50 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 2k85 h PHE 59 CO 0.04 -0.36 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.64 2k85 h LEU 60 N -0.27 -0.23 0.02 0.59 -0.00 -0.33 0.23 115.31 115.33 2k85 h LEU 60 Ca 0.15 0.09 0.03 0.00 -0.00 0.00 0.00 57.88 58.15 2k85 h LEU 60 Cb 0.52 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 41.30 2k85 h LEU 60 CO -0.46 -0.07 -0.42 1.56 -0.00 0.00 0.00 178.44 179.04 2k85 h GLN 61 N 0.05 -0.57 -0.77 1.13 4.20 -0.68 -0.32 115.11 118.14 2k85 h GLN 61 Ca 0.16 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.95 2k85 h GLN 61 Cb 0.24 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2k85 h GLN 61 CO -0.31 -0.38 0.51 1.25 -0.67 0.00 0.00 178.83 179.22 2k85 h HIS 62 N -0.59 0.90 -0.49 2.96 2.76 -0.88 0.69 115.15 120.51 2k85 h HIS 62 Ca 0.04 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.33 2k85 h HIS 62 Cb 0.66 -0.30 -0.10 0.00 1.55 0.00 0.00 27.41 29.22 2k85 h HIS 62 CO -0.41 0.52 -0.17 0.82 -1.30 0.00 0.00 177.93 177.39 2k85 h ILE 63 N 0.93 0.43 -0.57 6.26 1.08 0.32 0.62 117.51 126.58 2k85 h ILE 63 Ca 0.31 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.79 2k85 h ILE 63 Cb 0.07 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2k85 h ILE 63 CO -0.09 0.00 0.37 -0.74 -0.69 0.00 0.00 178.15 177.00 2k85 h HIS 64 N -0.06 0.70 -0.37 1.37 -0.00 0.74 0.32 115.15 117.85 2k85 h HIS 64 Ca 0.23 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.64 2k85 h HIS 64 Cb 0.41 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2k85 h HIS 64 CO -0.45 0.42 0.21 0.00 -0.00 0.00 0.00 177.93 178.11 2k85 h ARG 65 N 0.74 0.41 -0.59 5.26 3.08 0.41 1.22 114.38 124.91 2k85 h ARG 65 Ca 0.22 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.34 2k85 h ARG 65 Cb -0.05 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.84 2k85 h ARG 65 CO -0.07 0.27 0.18 -0.07 -1.07 0.00 0.00 179.97 179.22 2k85 h LEU 66 N 0.42 0.14 0.11 3.04 3.38 0.89 -1.83 115.31 121.46 2k85 h LEU 66 Ca 0.15 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2k85 h LEU 66 Cb 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2k85 h LEU 66 CO -0.08 0.09 -0.10 0.11 0.09 0.00 0.00 178.44 178.55 2k85 h LYS 67 N 0.34 -0.21 -0.22 1.13 1.57 0.71 -3.45 116.57 116.44 2k85 h LYS 67 Ca 0.30 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.33 2k85 h LYS 67 Cb 0.40 0.05 -0.19 0.00 0.08 0.00 0.00 32.23 32.56 2k85 h LYS 67 CO -0.33 -0.14 0.04 -3.38 -0.57 0.00 0.00 179.45 175.07 2k85 s HIS 68 N -6.15 -0.39 -2.00 -1.35 -3.43 0.41 -5.07 115.29 97.30 2k85 s HIS 68 Ca -0.14 0.26 0.25 0.00 -0.80 0.00 0.00 55.06 54.64 2k85 s HIS 68 Cb 0.06 0.08 1.52 0.00 -1.43 0.00 0.00 32.58 32.81 2k85 s HIS 68 CO 0.66 -0.23 1.88 0.39 -2.00 0.00 0.00 174.74 175.43