#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k85 s GLN 6 N 0.00 2.65 0.00 1.43 -2.07 -1.26 -1.52 119.66 118.90 2k85 s GLN 6 Ca 0.00 1.67 0.00 0.00 -1.82 0.00 0.00 55.36 55.21 2k85 s GLN 6 Cb 0.00 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 30.01 2k85 s GLN 6 CO 0.00 -1.42 0.00 1.04 -1.32 0.00 0.00 175.29 173.59 2k85 n GLN 7 N -2.19 0.00 0.28 9.60 3.00 -1.26 -4.37 117.38 122.43 2k85 n GLN 7 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.24 2k85 n GLN 7 Cb 0.51 0.00 0.80 0.00 0.00 0.00 0.00 30.24 31.55 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 0.65 0.00 5.09 2.04 -1.97 -2.59 117.51 120.74 2k85 h ILE 8 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2k85 h ILE 8 Cb 0.00 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2k85 h ILE 8 CO 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 178.15 178.03 2k85 n ALA 9 N -2.36 2.53 0.08 1.87 0.00 -0.57 -4.63 120.51 117.43 2k85 n ALA 9 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.31 2k85 n ALA 9 Cb 0.13 0.17 0.44 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.17 1.11 -0.06 0.00 1.35 -1.74 0.77 112.91 114.18 2k85 h THR 10 Ca 0.00 -0.36 -0.25 0.00 -0.55 0.00 0.00 66.41 65.26 2k85 h THR 10 Cb 0.17 0.81 0.02 0.00 -1.73 0.00 0.00 68.15 67.41 2k85 h THR 10 CO 0.00 0.13 -0.94 0.00 -0.25 0.00 0.00 175.52 174.47 2k85 h ALA 11 N 1.74 0.23 -0.63 6.62 0.00 -1.78 0.11 119.26 125.55 2k85 h ALA 11 Ca 0.09 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2k85 h ALA 11 Cb 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k85 h ALA 11 CO -0.01 0.70 0.07 -0.22 0.00 0.00 0.00 179.25 179.79 2k85 h LYS 12 N 0.43 1.07 -0.31 0.00 3.64 -1.37 -0.29 116.57 119.74 2k85 h LYS 12 Ca -0.10 -0.31 0.05 0.00 -1.27 0.00 0.00 60.65 59.03 2k85 h LYS 12 Cb 1.58 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 33.23 2k85 h LYS 12 CO 0.18 1.01 0.01 0.22 -2.27 0.00 0.00 179.45 178.60 2k85 h ASP 13 N 0.98 -0.11 -0.54 4.20 3.58 0.69 0.40 116.42 125.63 2k85 h ASP 13 Ca 0.19 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2k85 h ASP 13 Cb 0.48 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 2k85 h ASP 13 CO 0.02 -0.02 0.10 0.50 -2.88 0.00 0.00 179.24 176.96 2k85 h LYS 14 N 0.10 0.93 -0.49 0.28 3.64 -0.57 -1.63 116.57 118.83 2k85 h LYS 14 Ca 0.15 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 2k85 h LYS 14 Cb 0.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2k85 h LYS 14 CO -0.24 0.86 -0.12 -0.92 -2.27 0.00 0.00 179.45 176.76 2k85 h TYR 15 N 0.88 1.00 -0.11 1.91 3.20 -0.42 0.37 116.97 123.80 2k85 h TYR 15 Ca 0.18 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2k85 h TYR 15 Cb 0.37 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2k85 h TYR 15 CO 0.02 0.96 -0.05 0.93 -1.64 0.00 0.00 178.16 178.39 2k85 h GLU 16 N 0.81 0.16 -0.09 1.82 5.08 0.17 0.24 114.58 122.76 2k85 h GLU 16 Ca 0.13 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 2k85 h GLU 16 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k85 h GLU 16 CO 0.04 0.22 -0.76 2.35 -1.00 0.00 0.00 179.01 179.86 2k85 h TRP 17 N 0.15 0.69 -0.40 4.33 7.01 -0.65 -1.97 115.95 125.11 2k85 h TRP 17 Ca 0.04 -0.31 0.07 0.00 2.11 0.00 0.00 58.89 60.79 2k85 h TRP 17 Cb 0.19 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.09 2k85 h TRP 17 CO 0.00 1.09 0.04 -0.07 -2.79 0.00 0.00 178.44 176.71 2k85 h LEU 18 N 0.34 -0.08 -1.18 0.65 -0.00 0.10 1.53 115.31 116.67 2k85 h LEU 18 Ca -0.04 0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2k85 h LEU 18 Cb 1.36 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 42.12 2k85 h LEU 18 CO 0.14 -0.00 0.07 0.58 -0.00 0.00 0.00 178.44 179.22 2k85 h VAL 19 N 0.16 1.20 0.00 1.22 2.07 -1.19 -1.47 116.25 118.24 2k85 h VAL 19 Ca 0.20 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2k85 h VAL 19 Cb 0.26 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2k85 h VAL 19 CO -0.29 0.27 -0.14 0.77 0.02 0.00 0.00 177.57 178.20 2k85 h SER 20 N 0.61 0.00 1.33 0.57 4.64 -0.10 0.76 113.55 121.36 2k85 h SER 20 Ca 0.14 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 2k85 h SER 20 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2k85 h SER 20 CO 0.00 0.03 -0.69 0.08 -0.87 0.00 0.00 176.83 175.38 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 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 2k85 h ARG 21 Cb 1.02 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.08 2k85 h ARG 21 CO 0.00 0.42 -1.45 -0.89 0.10 0.00 0.00 179.97 178.16 2k85 n ILE 22 N -3.13 1.31 -2.73 0.08 2.08 -0.60 -4.88 119.36 111.50 2k85 n ILE 22 Ca -0.00 -0.04 -0.42 0.00 0.56 0.00 0.00 62.75 62.85 2k85 n ILE 22 Cb 0.74 -1.99 -0.03 0.00 -0.75 0.00 0.00 39.64 37.61 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 -2.55 4.20 -0.06 1.39 1.01 0.26 -4.85 120.40 119.80 2k85 s VAL 23 Ca -0.26 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2k85 s VAL 23 Cb 0.07 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 2k85 s VAL 23 CO 0.35 -1.68 -0.04 0.50 0.00 0.00 0.00 175.10 174.23 2k85 h LYS 24 N 9.52 0.00 -0.70 2.72 1.63 -1.78 -3.39 116.57 124.58 2k85 h LYS 24 Ca -0.03 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2k85 h LYS 24 Cb 1.04 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2k85 h LYS 24 CO 1.25 0.00 0.03 0.27 -3.45 0.00 0.00 179.45 177.55 2k85 n ASN 25 N -3.45 4.58 0.00 4.20 6.94 -1.26 -4.89 115.26 121.38 2k85 n ASN 25 Ca -0.02 -2.74 0.00 0.00 -0.02 0.00 0.00 54.58 51.81 2k85 n ASN 25 Cb 0.06 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 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 0.41 0.00 -0.49 -2.53 1.44 -1.26 -4.77 115.22 108.02 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 1.00 -1.38 0.06 0.00 0.12 0.00 0.00 29.99 29.79 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 4.92 -4.85 4.39 3.02 -1.26 -4.84 115.26 116.64 2k85 n ASN 27 Ca 0.00 -2.94 -0.22 0.00 -0.03 0.00 0.00 54.58 51.39 2k85 n ASN 27 Cb 0.00 -0.86 0.07 0.00 -0.61 0.00 0.00 39.78 38.38 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 -1.74 2.16 -0.24 3.52 0.41 -1.26 -5.11 118.70 116.44 2k85 s GLU 28 Ca 0.30 -0.97 0.02 0.00 -0.41 0.00 0.00 54.97 53.91 2k85 s GLU 28 Cb 0.24 -2.43 0.06 0.00 -1.78 0.00 0.00 34.13 30.22 2k85 s GLU 28 CO 0.02 -1.03 -0.08 -0.80 -0.49 0.00 0.00 175.26 172.88 2k85 s ASN 29 N -4.57 4.06 0.16 -0.19 0.01 -1.26 -5.04 114.94 108.11 2k85 s ASN 29 Ca 0.61 -1.24 -0.19 0.00 -0.71 0.00 0.00 52.86 51.33 2k85 s ASN 29 Cb -0.08 -1.35 0.09 0.00 0.41 0.00 0.00 41.25 40.32 2k85 s ASN 29 CO 0.41 -0.21 1.25 1.87 -1.51 0.00 0.00 177.10 178.91 2k85 n TRP 30 N 4.57 -0.14 0.27 2.20 -0.00 -1.26 -0.32 117.44 122.77 2k85 n TRP 30 Ca -0.13 1.00 -0.16 0.00 -0.00 0.00 0.00 57.50 58.21 2k85 n TRP 30 Cb 0.43 -0.70 -0.08 0.00 -0.00 0.00 0.00 31.31 30.96 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 -0.57 -1.60 5.87 -0.00 -1.98 0.46 115.31 117.49 2k85 h LEU 31 Ca 0.22 -0.03 0.04 0.00 -0.00 0.00 0.00 57.88 58.11 2k85 h LEU 31 Cb 0.42 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 2k85 h LEU 31 CO -0.79 -0.33 0.33 0.28 -0.00 0.00 0.00 178.44 177.93 2k85 h SER 32 N -0.77 0.44 1.21 -0.43 0.02 -1.71 0.09 113.55 112.40 2k85 h SER 32 Ca -0.07 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2k85 h SER 32 Cb 0.56 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2k85 h SER 32 CO 0.11 0.30 -0.49 0.58 -1.14 0.00 0.00 176.83 176.19 2k85 h VAL 33 N 0.51 0.93 -0.00 2.27 2.07 -0.19 -2.39 116.25 119.45 2k85 h VAL 33 Ca 0.21 -2.04 -0.12 0.00 0.82 0.00 0.00 66.70 65.57 2k85 h VAL 33 Cb 0.19 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2k85 h VAL 33 CO -0.05 0.48 -0.56 0.28 0.02 0.00 0.00 177.57 177.74 2k85 h SER 34 N 0.00 0.00 0.35 0.57 0.02 0.13 0.80 113.55 115.43 2k85 h SER 34 Ca -0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k85 h SER 34 Cb 1.23 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 2k85 h SER 34 CO 0.06 0.56 -0.34 -0.09 -1.14 0.00 0.00 176.83 175.88 2k85 h ARG 35 N 0.00 -0.69 0.06 3.45 9.65 -0.63 0.51 114.38 126.73 2k85 h ARG 35 Ca -0.01 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2k85 h ARG 35 Cb 0.98 0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.68 2k85 h ARG 35 CO 0.07 -0.46 -0.42 0.87 2.80 0.00 0.00 179.97 182.84 2k85 h LYS 36 N -0.71 -0.55 0.00 0.20 1.57 -1.22 -3.24 116.57 112.61 2k85 h LYS 36 Ca -0.02 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2k85 h LYS 36 Cb 0.64 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2k85 h LYS 36 CO -0.05 -0.37 -0.15 0.52 -0.57 0.00 0.00 179.45 178.83 2k85 h MET 37 N -0.57 0.00 0.00 3.15 2.86 0.79 -2.65 114.93 118.50 2k85 h MET 37 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k85 h MET 37 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k85 h MET 37 CO -0.25 0.15 0.00 -0.56 1.06 0.00 0.00 176.91 177.32 2k85 h GLN 38 N 0.00 0.00 -0.99 1.72 3.07 -0.01 -0.07 115.11 118.82 2k85 h GLN 38 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k85 h GLN 38 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.85 2k85 h GLN 38 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.94 2k85 n ALA 39 N -2.07 2.53 -3.71 0.06 0.00 -1.00 -4.71 120.51 111.61 2k85 n ALA 39 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 2k85 n ALA 39 Cb 0.20 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 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 0.19 0.52 0.47 0.00 0.01 -0.04 -5.03 113.70 109.83 2k85 s SER 40 Ca 0.01 -0.03 0.20 0.00 1.31 0.00 0.00 55.95 57.44 2k85 s SER 40 Cb 0.01 -0.23 1.20 0.00 0.21 0.00 0.00 66.02 67.21 2k85 s SER 40 CO 0.00 -0.11 1.96 1.55 0.41 0.00 0.00 173.24 177.05 2k85 h PRO 41 N 7.37 0.23 0.63 12.44 0.13 -1.84 -2.43 132.00 148.52 2k85 h PRO 41 Ca -0.40 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2k85 h PRO 41 Cb 1.13 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.22 2k85 h PRO 41 CO 0.45 0.15 -0.30 0.93 -0.23 0.00 0.00 178.00 179.00 2k85 h GLU 42 N 0.23 -0.81 -0.76 0.86 3.07 -1.96 0.35 114.58 115.57 2k85 h GLU 42 Ca 0.31 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.25 2k85 h GLU 42 Cb 0.90 0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.95 2k85 h GLU 42 CO -0.06 -0.54 0.49 -0.92 -1.40 0.00 0.00 179.01 176.58 2k85 h TYR 43 N -0.85 0.93 0.48 4.33 5.03 -1.66 -2.14 116.97 123.08 2k85 h TYR 43 Ca -0.09 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 2k85 h TYR 43 Cb 0.65 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 2k85 h TYR 43 CO -0.03 0.55 -0.40 1.96 -1.32 0.00 0.00 178.16 178.93 2k85 h GLN 44 N 0.98 -0.84 -0.74 1.82 1.08 -1.27 -1.48 115.11 114.66 2k85 h GLN 44 Ca 0.29 0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.67 2k85 h GLN 44 Cb -0.04 0.19 -0.13 0.00 -0.05 0.00 0.00 27.48 27.45 2k85 h GLN 44 CO -0.09 -0.56 -0.36 0.22 -0.95 0.00 0.00 178.83 177.09 2k85 h ASP 45 N -0.87 -1.29 -0.10 1.46 3.58 0.05 0.46 116.42 119.71 2k85 h ASP 45 Ca -0.05 0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.53 2k85 h ASP 45 Cb 0.75 0.65 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 2k85 h ASP 45 CO -0.02 -0.30 -0.38 0.22 -2.88 0.00 0.00 179.24 175.88 2k85 h TYR 46 N -0.11 0.74 0.00 0.28 3.20 -1.34 -0.65 116.97 119.09 2k85 h TYR 46 Ca 0.27 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2k85 h TYR 46 Cb 0.57 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2k85 h TYR 46 CO -0.73 0.91 0.00 0.28 -1.64 0.00 0.00 178.16 176.98 2k85 h VAL 47 N 0.52 0.00 0.08 1.81 2.07 -0.10 0.53 116.25 121.15 2k85 h VAL 47 Ca 0.05 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2k85 h VAL 47 Cb 0.90 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2k85 h VAL 47 CO 0.08 0.00 -0.04 0.22 0.02 0.00 0.00 177.57 177.85 2k85 h TYR 48 N 0.00 -0.10 0.64 1.57 3.20 0.43 -2.83 116.97 119.88 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 0.66 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2k85 h TYR 48 CO 0.00 0.41 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.37 2k85 h LEU 49 N -0.92 -1.27 0.00 2.82 3.38 -0.99 -3.42 115.31 114.90 2k85 h LEU 49 Ca -0.01 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k85 h LEU 49 Cb 0.55 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k85 h LEU 49 CO 0.02 -0.70 0.00 -0.62 0.09 0.00 0.00 178.44 177.23 2k85 n GLU 50 N -5.59 0.00 0.00 1.13 -0.58 0.16 -5.10 120.64 110.66 2k85 n GLU 50 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2k85 n GLU 50 Cb 0.47 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 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 2.73 0.29 0.16 0.62 0.00 -1.07 -4.94 105.19 102.97 2k85 n GLY 51 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 1.87 1.42 -0.00 2.61 2.02 -1.91 -2.25 112.91 116.67 2k85 h THR 52 Ca 0.00 -2.17 -0.26 0.00 0.77 0.00 0.00 66.41 64.75 2k85 h THR 52 Cb 0.00 2.14 0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2k85 h THR 52 CO 0.00 0.64 -1.02 1.56 0.37 0.00 0.00 175.52 177.07 2k85 h GLN 53 N 0.16 0.63 -0.53 6.66 4.20 -1.96 0.19 115.11 124.47 2k85 h GLN 53 Ca -0.02 -0.68 -0.12 0.00 0.06 0.00 0.00 58.65 57.89 2k85 h GLN 53 Cb 1.23 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 2k85 h GLN 53 CO 0.11 1.27 -0.14 0.87 -0.67 0.00 0.00 178.83 180.27 2k85 h LYS 54 N 0.36 1.01 0.00 1.46 1.57 -1.94 -0.66 116.57 118.37 2k85 h LYS 54 Ca -0.12 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 2k85 h LYS 54 Cb 1.67 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2k85 h LYS 54 CO 0.19 1.07 -0.27 0.00 -0.57 0.00 0.00 179.45 179.87 2k85 h ALA 55 N 0.94 1.44 0.19 3.86 0.00 -1.30 0.16 119.26 124.54 2k85 h ALA 55 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k85 h ALA 55 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k85 h ALA 55 CO 0.05 0.34 -0.09 -0.22 0.00 0.00 0.00 179.25 179.34 2k85 h LYS 56 N 0.00 -0.24 -0.95 0.00 3.64 -0.17 0.30 116.57 119.15 2k85 h LYS 56 Ca -0.00 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 2k85 h LYS 56 Cb 0.52 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2k85 h LYS 56 CO 0.04 0.12 0.60 0.87 -2.27 0.00 0.00 179.45 178.81 2k85 h LYS 57 N -0.65 0.61 -0.39 1.90 1.79 -0.85 0.43 116.57 119.40 2k85 h LYS 57 Ca -0.03 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.31 2k85 h LYS 57 Cb 0.47 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2k85 h LYS 57 CO 0.04 0.40 -0.13 1.25 -1.08 0.00 0.00 179.45 179.94 2k85 h LEU 58 N 0.63 0.79 -0.23 2.94 5.85 -0.47 0.14 115.31 124.95 2k85 h LEU 58 Ca 0.51 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2k85 h LEU 58 Cb 0.95 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2k85 h LEU 58 CO -0.26 0.99 -0.09 0.15 -0.34 0.00 0.00 178.44 178.89 2k85 h PHE 59 N 0.59 -0.21 0.16 1.25 3.57 0.14 -0.68 116.94 121.76 2k85 h PHE 59 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2k85 h PHE 59 Cb 0.66 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2k85 h PHE 59 CO 0.05 -0.15 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.58 2k85 h LEU 60 N -0.05 -0.95 -1.32 0.59 -0.00 0.12 0.28 115.31 113.98 2k85 h LEU 60 Ca 0.12 0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 58.10 2k85 h LEU 60 Cb 0.24 0.35 -0.03 0.00 -0.00 0.00 0.00 40.66 41.22 2k85 h LEU 60 CO -0.27 -0.43 0.37 0.06 -0.00 0.00 0.00 178.44 178.17 2k85 h GLN 61 N -0.58 0.84 -0.47 1.13 3.07 -0.62 -0.31 115.11 118.15 2k85 h GLN 61 Ca 0.02 -0.07 -0.13 0.00 0.09 0.00 0.00 58.65 58.56 2k85 h GLN 61 Cb 0.60 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 2k85 h GLN 61 CO -0.17 0.59 -0.21 1.25 0.09 0.00 0.00 178.83 180.38 2k85 h HIS 62 N 0.85 1.12 -0.58 0.06 2.76 -0.75 -2.02 115.15 116.59 2k85 h HIS 62 Ca 0.22 -0.27 0.12 0.00 -2.20 0.00 0.00 60.37 58.24 2k85 h HIS 62 Cb -0.03 -0.26 -0.11 0.00 1.55 0.00 0.00 27.41 28.56 2k85 h HIS 62 CO 0.00 1.09 -0.11 0.82 -1.30 0.00 0.00 177.93 178.43 2k85 h ILE 63 N 0.83 0.44 -0.05 6.26 1.08 0.76 0.31 117.51 127.13 2k85 h ILE 63 Ca 0.11 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 2k85 h ILE 63 Cb 0.78 0.41 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 2k85 h ILE 63 CO 0.06 0.00 -0.29 -0.74 -0.69 0.00 0.00 178.15 176.50 2k85 h HIS 64 N 0.02 -0.78 -0.65 1.37 -0.00 -0.78 0.01 115.15 114.35 2k85 h HIS 64 Ca 0.29 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.78 2k85 h HIS 64 Cb 0.44 0.35 -0.07 0.00 -0.00 0.00 0.00 27.41 28.13 2k85 h HIS 64 CO -0.45 -0.37 0.28 0.00 -0.00 0.00 0.00 177.93 177.38 2k85 h ARG 65 N -0.40 0.48 -1.00 5.26 3.08 -0.56 0.55 114.38 121.79 2k85 h ARG 65 Ca 0.08 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.18 2k85 h ARG 65 Cb 0.51 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 2k85 h ARG 65 CO -0.28 0.32 0.64 -0.07 -1.07 0.00 0.00 179.97 179.50 2k85 h LEU 66 N 0.49 0.99 0.09 3.04 3.38 0.62 -1.98 115.31 121.93 2k85 h LEU 66 Ca 0.32 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 2k85 h LEU 66 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k85 h LEU 66 CO -0.28 0.59 -0.04 0.11 0.09 0.00 0.00 178.44 178.91 2k85 h LYS 67 N 1.10 -0.11 -0.88 1.13 1.57 0.06 -3.46 116.57 115.97 2k85 h LYS 67 Ca 0.45 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2k85 h LYS 67 Cb 0.29 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 32.44 2k85 h LYS 67 CO -0.20 0.42 -0.39 -3.38 -0.57 0.00 0.00 179.45 175.33 2k85 s HIS 68 N -3.21 -1.56 -2.94 -1.35 -3.43 0.18 -5.10 115.29 97.89 2k85 s HIS 68 Ca -0.14 0.34 0.24 0.00 -0.80 0.00 0.00 55.06 54.70 2k85 s HIS 68 Cb -0.00 0.28 0.29 0.00 -1.43 0.00 0.00 32.58 31.72 2k85 s HIS 68 CO 0.53 -1.03 1.32 -1.91 -2.00 0.00 0.00 174.74 171.65