#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 -2.06 0.00 -1.46 7.27 -1.26 -4.79 117.38 115.08 2k85 n GLN 6 Ca 0.00 1.69 0.00 0.00 0.07 0.00 0.00 57.00 58.76 2k85 n GLN 6 Cb 0.00 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.24 2k85 n GLN 6 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2k85 n GLN 7 N -3.45 0.00 0.14 3.69 -0.06 -1.26 -4.67 117.38 111.77 2k85 n GLN 7 Ca -0.06 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.06 2k85 n GLN 7 Cb 0.42 -0.91 0.53 0.00 -4.06 0.00 0.00 30.24 26.22 2k85 n GLN 7 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2k85 n ILE 8 N -0.73 0.88 0.02 1.69 5.41 -1.26 -2.91 119.36 122.46 2k85 n ILE 8 Ca 0.00 0.39 0.00 0.00 1.00 0.00 0.00 62.75 64.14 2k85 n ILE 8 Cb 0.00 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2k85 n ILE 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k85 n ALA 9 N -1.78 3.00 -0.32 -1.39 0.00 -1.26 -4.72 120.51 114.03 2k85 n ALA 9 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.61 2k85 n ALA 9 Cb 0.17 0.10 0.40 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 0.00 0.68 -0.17 0.00 1.35 -1.95 0.42 112.91 113.25 2k85 h THR 10 Ca 0.00 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 2k85 h THR 10 Cb 0.00 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.42 2k85 h THR 10 CO 0.00 0.11 0.06 0.00 -0.25 0.00 0.00 175.52 175.44 2k85 h ALA 11 N 1.63 0.22 -0.41 6.62 0.00 -1.86 0.36 119.26 125.82 2k85 h ALA 11 Ca 0.54 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 2k85 h ALA 11 Cb 1.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k85 h ALA 11 CO -0.30 -0.17 -0.24 -0.22 0.00 0.00 0.00 179.25 178.32 2k85 h LYS 12 N 0.10 0.85 0.08 0.00 3.64 -1.38 0.09 116.57 119.96 2k85 h LYS 12 Ca 0.06 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2k85 h LYS 12 Cb 0.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2k85 h LYS 12 CO -0.00 1.00 -0.04 0.22 -2.27 0.00 0.00 179.45 178.36 2k85 h ASP 13 N 0.73 -0.09 -0.50 4.20 3.58 -0.00 0.46 116.42 124.79 2k85 h ASP 13 Ca 0.09 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 2k85 h ASP 13 Cb 0.78 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 2k85 h ASP 13 CO 0.06 -0.07 -0.07 0.50 -2.88 0.00 0.00 179.24 176.79 2k85 h LYS 14 N -0.11 0.97 -0.48 0.28 3.64 -0.21 -1.82 116.57 118.84 2k85 h LYS 14 Ca -0.01 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.07 2k85 h LYS 14 Cb 0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2k85 h LYS 14 CO 0.02 1.00 0.28 -0.92 -2.27 0.00 0.00 179.45 177.55 2k85 h TYR 15 N 0.88 0.52 -0.98 1.91 3.20 -0.76 0.74 116.97 122.47 2k85 h TYR 15 Ca 0.15 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.22 2k85 h TYR 15 Cb 0.61 -0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.62 2k85 h TYR 15 CO 0.04 0.29 0.61 0.93 -1.64 0.00 0.00 178.16 178.39 2k85 h GLU 16 N 0.55 0.66 -0.30 1.82 4.39 0.47 0.34 114.58 122.51 2k85 h GLU 16 Ca 0.20 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 2k85 h GLU 16 Cb 0.04 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2k85 h GLU 16 CO -0.10 0.44 -0.27 2.35 -1.16 0.00 0.00 179.01 180.27 2k85 h TRP 17 N 0.68 0.85 -0.85 4.33 7.01 -0.45 -2.68 115.95 124.84 2k85 h TRP 17 Ca 0.55 -0.25 0.19 0.00 2.11 0.00 0.00 58.89 61.49 2k85 h TRP 17 Cb 0.96 -0.18 -0.11 0.00 -2.10 0.00 0.00 29.16 27.72 2k85 h TRP 17 CO -0.00 0.99 0.36 -0.07 -2.79 0.00 0.00 178.44 176.93 2k85 h LEU 18 N 0.47 0.31 -0.03 0.65 -0.00 0.19 1.92 115.31 118.82 2k85 h LEU 18 Ca 0.05 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2k85 h LEU 18 Cb 0.83 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2k85 h LEU 18 CO 0.07 0.04 0.02 0.58 -0.00 0.00 0.00 178.44 179.15 2k85 h VAL 19 N 0.42 1.05 0.00 1.22 2.07 -1.07 -1.04 116.25 118.91 2k85 h VAL 19 Ca 0.51 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.88 2k85 h VAL 19 Cb 0.89 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2k85 h VAL 19 CO -0.49 0.04 0.00 0.77 0.02 0.00 0.00 177.57 177.92 2k85 h SER 20 N -0.01 0.00 0.71 0.57 4.64 0.24 0.74 113.55 120.44 2k85 h SER 20 Ca 0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 2k85 h SER 20 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2k85 h SER 20 CO -0.00 0.00 -0.90 -0.09 -0.87 0.00 0.00 176.83 174.97 2k85 h ARG 21 N 0.00 0.12 0.00 4.77 2.43 0.33 -3.40 114.38 118.63 2k85 h ARG 21 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2k85 h ARG 21 Cb 0.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2k85 h ARG 21 CO 0.00 0.94 -0.55 -0.89 -1.51 0.00 0.00 179.97 177.96 2k85 n ILE 22 N -3.58 1.11 -1.93 1.20 2.08 -0.45 -4.91 119.36 112.87 2k85 n ILE 22 Ca -0.03 0.25 -0.37 0.00 0.56 0.00 0.00 62.75 63.16 2k85 n ILE 22 Cb 0.83 -1.96 -0.03 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 -2.28 3.28 -0.16 1.39 1.01 0.25 -4.95 120.40 118.94 2k85 s VAL 23 Ca -0.16 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 2k85 s VAL 23 Cb 0.02 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2k85 s VAL 23 CO 0.24 -0.72 -0.07 -0.75 0.00 0.00 0.00 175.10 173.80 2k85 s LYS 24 N 7.32 3.50 -1.45 2.72 2.47 -1.26 -4.32 119.74 128.73 2k85 s LYS 24 Ca 0.74 -0.60 0.00 0.00 -1.56 0.00 0.00 55.97 54.55 2k85 s LYS 24 Cb -0.13 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.40 2k85 s LYS 24 CO 0.21 0.13 0.00 -1.71 0.16 0.00 0.00 175.35 174.14 2k85 n ASN 25 N 3.83 -4.66 -0.45 1.43 5.15 -1.26 -3.10 115.26 116.20 2k85 n ASN 25 Ca -0.18 0.34 -0.06 0.00 -0.60 0.00 0.00 54.58 54.08 2k85 n ASN 25 Cb 0.52 -3.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.86 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k85 n HIS 26 N -2.05 0.00 1.70 1.20 1.44 -1.26 -4.82 115.22 111.44 2k85 n HIS 26 Ca -0.14 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.72 2k85 n HIS 26 Cb 0.54 -1.72 0.74 0.00 0.12 0.00 0.00 29.99 29.66 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 -0.36 0.59 -4.24 4.39 5.03 -1.18 -4.82 115.26 114.67 2k85 n ASN 27 Ca -0.06 -1.06 -0.30 0.00 0.87 0.00 0.00 54.58 54.04 2k85 n ASN 27 Cb 0.36 -0.02 0.17 0.00 -1.02 0.00 0.00 39.78 39.27 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 -2.11 0.76 -0.03 3.52 8.01 -1.26 -5.07 118.70 122.52 2k85 s GLU 28 Ca 0.40 -0.31 0.01 0.00 0.01 0.00 0.00 54.97 55.08 2k85 s GLU 28 Cb 0.21 -1.85 0.02 0.00 -4.31 0.00 0.00 34.13 28.20 2k85 s GLU 28 CO 0.38 -2.35 -0.02 -0.80 0.01 0.00 0.00 175.26 172.48 2k85 s ASN 29 N -4.79 0.62 0.16 -0.19 0.01 -1.26 -5.08 114.94 104.42 2k85 s ASN 29 Ca 0.72 -0.07 -0.28 0.00 -0.71 0.00 0.00 52.86 52.52 2k85 s ASN 29 Cb -0.05 -0.28 -0.00 0.00 0.41 0.00 0.00 41.25 41.32 2k85 s ASN 29 CO 0.53 -0.06 1.56 -0.25 -1.51 0.00 0.00 177.10 177.37 2k85 h TRP 30 N 7.02 -1.47 0.27 2.20 2.91 -1.98 -0.47 115.95 124.43 2k85 h TRP 30 Ca -0.39 0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.71 2k85 h TRP 30 Cb 1.15 0.73 -0.00 0.00 -0.51 0.00 0.00 29.16 30.52 2k85 h TRP 30 CO 0.49 -0.43 -0.17 -0.07 -1.03 0.00 0.00 178.44 177.23 2k85 h LEU 31 N -0.22 -0.42 -1.03 0.65 -0.00 -1.98 0.24 115.31 112.55 2k85 h LEU 31 Ca 0.16 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 58.13 2k85 h LEU 31 Cb 0.55 0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 41.27 2k85 h LEU 31 CO -0.73 -0.27 0.64 0.77 -0.00 0.00 0.00 178.44 178.86 2k85 h SER 32 N -0.42 1.04 -0.07 -0.43 4.64 -1.92 0.52 113.55 116.91 2k85 h SER 32 Ca -0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 2k85 h SER 32 Cb 0.35 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2k85 h SER 32 CO 0.02 0.68 -0.14 0.58 -0.87 0.00 0.00 176.83 177.10 2k85 h VAL 33 N 1.19 1.22 -0.07 0.95 2.07 -0.24 -1.41 116.25 119.97 2k85 h VAL 33 Ca 0.42 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 2k85 h VAL 33 Cb 0.12 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2k85 h VAL 33 CO -0.15 0.32 -0.45 -1.28 0.02 0.00 0.00 177.57 176.02 2k85 h SER 34 N 0.37 0.17 0.16 0.57 0.87 0.88 0.91 113.55 117.49 2k85 h SER 34 Ca 0.07 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2k85 h SER 34 Cb 0.48 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2k85 h SER 34 CO 0.03 0.60 -0.34 0.03 -0.53 0.00 0.00 176.83 176.62 2k85 h ARG 35 N 0.13 -0.57 0.44 2.24 2.47 -0.12 -0.72 114.38 118.26 2k85 h ARG 35 Ca 0.01 0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2k85 h ARG 35 Cb 0.85 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 2k85 h ARG 35 CO 0.07 -0.38 -0.33 0.87 0.56 0.00 0.00 179.97 180.75 2k85 h LYS 36 N -0.59 -0.72 -0.34 0.04 1.57 -0.94 -3.28 116.57 112.31 2k85 h LYS 36 Ca 0.02 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 2k85 h LYS 36 Cb 0.60 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2k85 h LYS 36 CO -0.17 -0.48 0.25 0.52 -0.57 0.00 0.00 179.45 178.99 2k85 h MET 37 N -0.75 0.00 0.00 3.15 2.86 0.87 -2.39 114.93 118.68 2k85 h MET 37 Ca -0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2k85 h MET 37 Cb 0.62 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 2k85 h MET 37 CO 0.02 0.00 -0.02 -0.56 1.06 0.00 0.00 176.91 177.41 2k85 h GLN 38 N 0.00 0.00 0.00 1.72 -0.00 -1.18 0.97 115.11 116.62 2k85 h GLN 38 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2k85 h GLN 38 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.13 2k85 h GLN 38 CO -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 178.83 178.85 2k85 n ALA 39 N -2.15 2.40 -3.41 0.06 0.00 -0.90 -4.69 120.51 111.84 2k85 n ALA 39 Ca -0.02 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 2k85 n ALA 39 Cb 0.15 -1.14 -0.17 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.42 2.24 0.42 0.00 0.01 0.34 -5.02 113.70 110.27 2k85 s SER 40 Ca 0.13 -0.39 0.15 0.00 1.31 0.00 0.00 55.95 57.15 2k85 s SER 40 Cb 0.06 -1.03 1.03 0.00 0.21 0.00 0.00 66.02 66.29 2k85 s SER 40 CO 0.10 0.07 1.93 1.55 0.41 0.00 0.00 173.24 177.30 2k85 h PRO 41 N 6.93 0.43 0.07 12.44 0.13 -1.83 -2.13 132.00 148.04 2k85 h PRO 41 Ca -0.27 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2k85 h PRO 41 Cb 1.20 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2k85 h PRO 41 CO 0.47 0.28 -0.28 0.93 -0.23 0.00 0.00 178.00 179.17 2k85 h GLU 42 N 0.44 -0.45 -0.30 0.86 3.07 -1.95 0.48 114.58 116.72 2k85 h GLU 42 Ca 0.36 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2k85 h GLU 42 Cb 0.77 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 2k85 h GLU 42 CO -0.11 -0.30 0.20 -0.92 -1.40 0.00 0.00 179.01 176.47 2k85 h TYR 43 N -0.47 0.38 0.24 4.33 5.03 -1.61 -2.47 116.97 122.40 2k85 h TYR 43 Ca 0.04 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2k85 h TYR 43 Cb 0.52 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 2k85 h TYR 43 CO -0.28 0.25 -0.24 1.96 -1.32 0.00 0.00 178.16 178.53 2k85 h GLN 44 N 0.40 -0.47 -0.88 1.82 1.08 -1.00 0.09 115.11 116.15 2k85 h GLN 44 Ca 0.11 0.03 0.19 0.00 -1.45 0.00 0.00 58.65 57.54 2k85 h GLN 44 Cb -0.04 0.11 -0.16 0.00 -0.05 0.00 0.00 27.48 27.33 2k85 h GLN 44 CO -0.02 -0.31 -0.13 0.22 -0.95 0.00 0.00 178.83 177.63 2k85 h ASP 45 N -0.49 -0.67 -0.37 1.46 3.58 -0.08 0.68 116.42 120.53 2k85 h ASP 45 Ca -0.03 0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 2k85 h ASP 45 Cb 0.42 0.50 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2k85 h ASP 45 CO -0.03 -0.28 -0.16 0.22 -2.88 0.00 0.00 179.24 176.11 2k85 h TYR 46 N 0.02 0.88 0.00 0.28 3.20 -1.28 -1.64 116.97 118.44 2k85 h TYR 46 Ca 0.45 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2k85 h TYR 46 Cb 0.77 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 2k85 h TYR 46 CO -0.60 0.94 -0.13 0.28 -1.64 0.00 0.00 178.16 177.01 2k85 h VAL 47 N 0.56 0.28 0.16 1.81 2.07 0.86 0.75 116.25 122.74 2k85 h VAL 47 Ca 0.09 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2k85 h VAL 47 Cb 0.70 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2k85 h VAL 47 CO 0.05 0.13 -0.07 0.22 0.02 0.00 0.00 177.57 177.92 2k85 h TYR 48 N 0.00 -0.19 0.47 1.57 3.20 0.53 -2.40 116.97 120.15 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 0.81 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2k85 h TYR 48 CO 0.00 0.23 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.46 2k85 h LEU 49 N -0.72 -0.53 0.00 2.82 3.38 -1.18 -3.42 115.31 115.66 2k85 h LEU 49 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k85 h LEU 49 Cb 0.51 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k85 h LEU 49 CO 0.04 -0.36 0.00 -0.62 0.09 0.00 0.00 178.44 177.58 2k85 n GLU 50 N -3.78 0.00 0.00 1.13 -0.58 0.24 -5.11 120.64 112.55 2k85 n GLU 50 Ca -0.08 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 2k85 n GLU 50 Cb 0.25 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 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 2.48 0.98 0.15 0.62 0.00 -0.90 -4.96 105.19 103.55 2k85 n GLY 51 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 2.68 1.05 0.16 2.61 2.02 -1.92 -3.00 112.91 116.51 2k85 h THR 52 Ca 0.00 -2.11 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 2k85 h THR 52 Cb 0.00 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2k85 h THR 52 CO 0.00 0.52 -0.07 1.56 0.37 0.00 0.00 175.52 177.90 2k85 h GLN 53 N 0.00 -0.20 -0.32 6.66 1.08 -1.96 0.89 115.11 121.27 2k85 h GLN 53 Ca -0.01 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2k85 h GLN 53 Cb 1.22 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 2k85 h GLN 53 CO 0.07 0.23 0.21 0.87 -0.95 0.00 0.00 178.83 179.26 2k85 h LYS 54 N -0.76 0.36 -0.33 1.46 1.57 -1.93 0.12 116.57 117.06 2k85 h LYS 54 Ca -0.02 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2k85 h LYS 54 Cb 0.52 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2k85 h LYS 54 CO 0.03 0.24 -0.28 0.00 -0.57 0.00 0.00 179.45 178.87 2k85 h ALA 55 N 1.81 0.48 -0.01 3.86 0.00 -1.42 0.32 119.26 124.29 2k85 h ALA 55 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k85 h ALA 55 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k85 h ALA 55 CO -0.03 0.50 -0.02 -0.22 0.00 0.00 0.00 179.25 179.48 2k85 h LYS 56 N 0.55 -0.03 -0.74 0.00 3.64 -0.01 0.29 116.57 120.26 2k85 h LYS 56 Ca 0.06 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.59 2k85 h LYS 56 Cb 0.85 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.58 2k85 h LYS 56 CO 0.07 -0.02 0.23 -0.22 -2.27 0.00 0.00 179.45 177.24 2k85 h LYS 57 N -0.04 0.33 -0.46 1.90 3.64 -0.68 0.28 116.57 121.54 2k85 h LYS 57 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2k85 h LYS 57 Cb 0.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2k85 h LYS 57 CO -0.03 0.22 0.25 1.25 -2.27 0.00 0.00 179.45 178.87 2k85 h LEU 58 N 0.34 0.58 -0.29 5.20 5.85 0.20 -0.21 115.31 126.98 2k85 h LEU 58 Ca 0.41 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.10 2k85 h LEU 58 Cb 0.67 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2k85 h LEU 58 CO -0.46 0.50 -0.11 0.15 -0.34 0.00 0.00 178.44 178.19 2k85 h PHE 59 N 0.61 -0.26 -0.06 1.25 3.57 0.11 -1.82 116.94 120.34 2k85 h PHE 59 Ca 0.16 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2k85 h PHE 59 Cb 0.05 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2k85 h PHE 59 CO -0.02 -0.18 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.59 2k85 h LEU 60 N -0.06 -0.66 -0.04 0.59 -0.00 0.19 0.36 115.31 115.69 2k85 h LEU 60 Ca 0.15 0.10 0.04 0.00 -0.00 0.00 0.00 57.88 58.17 2k85 h LEU 60 Cb 0.28 0.29 -0.05 0.00 -0.00 0.00 0.00 40.66 41.18 2k85 h LEU 60 CO -0.33 -0.28 -0.28 1.56 -0.00 0.00 0.00 178.44 179.11 2k85 h GLN 61 N -0.32 -0.38 -1.00 1.13 4.20 -0.91 -0.04 115.11 117.79 2k85 h GLN 61 Ca 0.08 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.89 2k85 h GLN 61 Cb 0.43 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 2k85 h GLN 61 CO -0.24 -0.25 0.64 1.25 -0.67 0.00 0.00 178.83 179.55 2k85 h HIS 62 N -0.40 1.19 -0.60 2.96 2.76 -1.04 0.94 115.15 120.97 2k85 h HIS 62 Ca 0.07 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.39 2k85 h HIS 62 Cb 0.50 -0.39 -0.09 0.00 1.55 0.00 0.00 27.41 28.98 2k85 h HIS 62 CO -0.33 0.59 0.09 0.82 -1.30 0.00 0.00 177.93 177.80 2k85 h ILE 63 N 1.14 0.59 -0.54 6.26 1.08 0.87 0.66 117.51 127.58 2k85 h ILE 63 Ca 0.44 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.83 2k85 h ILE 63 Cb 0.22 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2k85 h ILE 63 CO -0.19 0.04 0.29 -0.74 -0.69 0.00 0.00 178.15 176.85 2k85 h HIS 64 N 0.21 0.74 -0.26 1.37 2.76 0.81 0.40 115.15 121.18 2k85 h HIS 64 Ca 0.32 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.48 2k85 h HIS 64 Cb 0.49 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2k85 h HIS 64 CO -0.28 0.55 0.13 0.00 -1.30 0.00 0.00 177.93 177.03 2k85 h ARG 65 N 0.72 0.27 -0.62 5.26 3.08 0.75 1.09 114.38 124.92 2k85 h ARG 65 Ca 0.19 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.32 2k85 h ARG 65 Cb 0.06 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 2k85 h ARG 65 CO -0.03 0.18 0.22 -0.07 -1.07 0.00 0.00 179.97 179.20 2k85 h LEU 66 N 0.27 0.20 0.18 3.04 3.38 0.70 -1.25 115.31 121.83 2k85 h LEU 66 Ca 0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k85 h LEU 66 Cb 0.03 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2k85 h LEU 66 CO -0.07 0.12 -0.18 0.11 0.09 0.00 0.00 178.44 178.51 2k85 h LYS 67 N 0.39 -0.37 -0.32 1.13 1.57 0.85 -3.45 116.57 116.37 2k85 h LYS 67 Ca 0.32 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.30 2k85 h LYS 67 Cb 0.41 0.08 -0.19 0.00 0.08 0.00 0.00 32.23 32.62 2k85 h LYS 67 CO -0.33 -0.25 -0.08 -3.38 -0.57 0.00 0.00 179.45 174.84 2k85 s HIS 68 N -6.11 -0.58 -2.94 -1.35 -3.43 0.37 -5.07 115.29 96.17 2k85 s HIS 68 Ca -0.15 0.26 0.24 0.00 -0.80 0.00 0.00 55.06 54.61 2k85 s HIS 68 Cb 0.07 0.10 0.19 0.00 -1.43 0.00 0.00 32.58 31.50 2k85 s HIS 68 CO 0.65 -0.35 1.25 -1.91 -2.00 0.00 0.00 174.74 172.37