#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 1.16 0.00 -1.46 -2.07 -1.26 -4.74 119.66 111.29 2k85 s GLN 6 Ca 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 2k85 s GLN 6 Cb 0.00 -1.18 0.00 0.00 -1.09 0.00 0.00 33.01 30.74 2k85 s GLN 6 CO 0.00 0.31 0.00 0.94 -1.32 0.00 0.00 175.29 175.22 2k85 n GLN 7 N 2.18 0.00 -0.27 9.60 -0.06 -1.26 -4.72 117.38 122.85 2k85 n GLN 7 Ca -0.16 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 54.97 2k85 n GLN 7 Cb 0.54 -0.59 0.41 0.00 -4.06 0.00 0.00 30.24 26.54 2k85 n GLN 7 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2k85 h ILE 8 N 0.00 0.79 0.00 1.69 2.04 -2.01 -1.75 117.51 118.27 2k85 h ILE 8 Ca 0.00 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 2k85 h ILE 8 Cb 0.00 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2k85 h ILE 8 CO 0.00 0.11 -1.48 0.00 0.00 0.00 0.00 178.15 176.78 2k85 n ALA 9 N -2.44 1.82 0.19 1.87 0.00 -1.26 -4.69 120.51 116.00 2k85 n ALA 9 Ca 0.18 -0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.30 2k85 n ALA 9 Cb 0.53 0.27 0.35 0.00 0.00 0.00 0.00 19.45 20.60 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 0.95 -0.28 0.00 1.35 -1.92 0.16 112.91 113.18 2k85 h THR 10 Ca -0.19 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 2k85 h THR 10 Cb 1.32 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 2k85 h THR 10 CO -0.02 0.37 0.06 0.00 -0.25 0.00 0.00 175.52 175.68 2k85 h ALA 11 N 1.62 0.37 0.35 6.62 0.00 -1.60 0.22 119.26 126.84 2k85 h ALA 11 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k85 h ALA 11 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k85 h ALA 11 CO 0.05 0.04 -0.17 -0.22 0.00 0.00 0.00 179.25 178.95 2k85 h LYS 12 N 0.28 -0.45 -0.71 0.00 3.64 -1.68 0.18 116.57 117.84 2k85 h LYS 12 Ca 0.09 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 2k85 h LYS 12 Cb 0.31 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 2k85 h LYS 12 CO 0.00 -0.17 0.20 0.22 -2.27 0.00 0.00 179.45 177.43 2k85 h ASP 13 N -0.72 0.08 -0.04 4.20 3.58 -0.95 0.94 116.42 123.52 2k85 h ASP 13 Ca -0.05 0.13 -0.24 0.00 0.42 0.00 0.00 57.03 57.29 2k85 h ASP 13 Cb 0.49 0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.71 2k85 h ASP 13 CO 0.08 0.01 -0.89 0.50 -2.88 0.00 0.00 179.24 176.06 2k85 h LYS 14 N 0.31 0.72 -0.96 0.28 3.64 -0.53 -2.06 116.57 117.97 2k85 h LYS 14 Ca 0.39 -0.67 0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2k85 h LYS 14 Cb 0.63 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 2k85 h LYS 14 CO -0.45 1.27 0.61 -0.92 -2.27 0.00 0.00 179.45 177.68 2k85 h TYR 15 N 0.46 1.12 -0.17 1.91 3.20 0.31 0.14 116.97 123.93 2k85 h TYR 15 Ca -0.08 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2k85 h TYR 15 Cb 1.53 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2k85 h TYR 15 CO 0.09 0.53 0.11 0.93 -1.64 0.00 0.00 178.16 178.18 2k85 h GLU 16 N 1.05 0.20 -0.07 1.82 5.08 0.12 0.19 114.58 122.98 2k85 h GLU 16 Ca 0.44 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2k85 h GLU 16 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k85 h GLU 16 CO -0.21 0.13 -0.14 2.35 -1.00 0.00 0.00 179.01 180.15 2k85 h TRP 17 N 0.21 0.28 -0.90 4.33 7.01 -0.27 -2.68 115.95 123.93 2k85 h TRP 17 Ca 0.06 -0.10 0.23 0.00 2.11 0.00 0.00 58.89 61.19 2k85 h TRP 17 Cb 0.01 -0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 26.89 2k85 h TRP 17 CO -0.00 0.73 0.38 -0.07 -2.79 0.00 0.00 178.44 176.69 2k85 h LEU 18 N -0.25 0.28 0.28 0.65 -0.00 0.18 1.99 115.31 118.45 2k85 h LEU 18 Ca 0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 2k85 h LEU 18 Cb 0.71 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2k85 h LEU 18 CO 0.03 -0.03 -0.14 0.58 -0.00 0.00 0.00 178.44 178.88 2k85 h VAL 19 N 0.36 0.73 0.00 1.22 2.07 -0.85 -0.58 116.25 119.20 2k85 h VAL 19 Ca 0.57 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 68.03 2k85 h VAL 19 Cb 1.10 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2k85 h VAL 19 CO -0.55 0.01 -0.15 0.77 0.02 0.00 0.00 177.57 177.66 2k85 h SER 20 N -0.39 0.00 -0.22 0.57 4.64 0.32 0.93 113.55 119.40 2k85 h SER 20 Ca -0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 2k85 h SER 20 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2k85 h SER 20 CO 0.06 0.15 -0.30 -0.09 -0.87 0.00 0.00 176.83 175.79 2k85 h ARG 21 N 0.00 0.72 0.00 4.77 2.43 0.32 -3.38 114.38 119.24 2k85 h ARG 21 Ca -0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2k85 h ARG 21 Cb 0.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k85 h ARG 21 CO 0.02 0.93 -0.52 -0.89 -1.51 0.00 0.00 179.97 177.99 2k85 n ILE 22 N -4.08 0.83 -2.14 1.20 2.08 -0.26 -4.87 119.36 112.12 2k85 n ILE 22 Ca -0.01 0.30 -0.40 0.00 0.56 0.00 0.00 62.75 63.21 2k85 n ILE 22 Cb 0.47 -1.98 -0.03 0.00 -0.75 0.00 0.00 39.64 37.35 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 -2.02 3.50 -0.17 1.39 1.01 0.32 -4.81 120.40 119.61 2k85 s VAL 23 Ca -0.15 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2k85 s VAL 23 Cb 0.02 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 2k85 s VAL 23 CO 0.23 -0.91 -0.21 1.17 0.00 0.00 0.00 175.10 175.37 2k85 n LYS 24 N 8.92 0.38 -0.55 2.72 3.00 -1.26 -4.19 118.16 127.18 2k85 n LYS 24 Ca 0.18 0.15 0.08 0.00 -0.00 0.00 0.00 58.31 58.72 2k85 n LYS 24 Cb 0.50 -1.16 0.29 0.00 0.00 0.00 0.00 35.03 34.67 2k85 n LYS 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2k85 n ASN 25 N -3.65 4.33 0.00 3.14 4.13 -1.26 -4.94 115.26 117.01 2k85 n ASN 25 Ca -0.34 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.03 2k85 n ASN 25 Cb 0.76 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k85 n HIS 26 N -0.07 0.00 -0.64 3.10 1.44 -1.26 -4.74 115.22 113.05 2k85 n HIS 26 Ca 0.23 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.85 2k85 n HIS 26 Cb 0.94 -1.00 0.02 0.00 0.12 0.00 0.00 29.99 30.07 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 5.78 -1.93 4.39 3.02 -1.26 -4.82 115.26 120.44 2k85 n ASN 27 Ca 0.00 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 2k85 n ASN 27 Cb 0.00 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 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 0.90 0.96 -3.67 3.52 -0.58 -1.26 -5.12 120.64 115.39 2k85 n GLU 28 Ca 0.15 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.66 2k85 n GLU 28 Cb 0.55 0.00 -0.18 0.00 -0.57 0.00 0.00 31.44 31.24 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 -1.00 1.68 0.27 1.62 3.84 -1.26 -5.06 114.94 115.03 2k85 s ASN 29 Ca 0.00 -0.21 -0.09 0.00 0.21 0.00 0.00 52.86 52.77 2k85 s ASN 29 Cb 0.00 -0.24 0.42 0.00 -0.55 0.00 0.00 41.25 40.88 2k85 s ASN 29 CO 0.00 -0.28 1.57 -0.25 -2.79 0.00 0.00 177.10 175.35 2k85 h TRP 30 N 8.41 -0.52 0.04 0.43 2.91 -1.98 0.33 115.95 125.57 2k85 h TRP 30 Ca -0.14 0.09 -0.00 0.00 1.13 0.00 0.00 58.89 59.96 2k85 h TRP 30 Cb 1.13 0.38 0.00 0.00 -0.51 0.00 0.00 29.16 30.16 2k85 h TRP 30 CO 0.37 -0.41 -0.02 -0.07 -1.03 0.00 0.00 178.44 177.28 2k85 h LEU 31 N -0.00 -0.04 -0.92 0.65 -0.00 -1.98 0.34 115.31 113.37 2k85 h LEU 31 Ca 0.45 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 58.28 2k85 h LEU 31 Cb 0.69 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.33 2k85 h LEU 31 CO -0.98 -0.01 0.32 0.28 -0.00 0.00 0.00 178.44 178.05 2k85 h SER 32 N -0.07 1.01 0.99 -0.43 0.02 -1.34 0.51 113.55 114.25 2k85 h SER 32 Ca -0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2k85 h SER 32 Cb 0.06 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2k85 h SER 32 CO 0.01 0.89 -0.15 -0.37 -1.14 0.00 0.00 176.83 176.06 2k85 h VAL 33 N 1.09 0.37 -0.04 2.27 -1.51 0.07 -1.57 116.25 116.93 2k85 h VAL 33 Ca 0.26 -0.94 -0.22 0.00 -1.23 0.00 0.00 66.70 64.57 2k85 h VAL 33 Cb 0.18 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2k85 h VAL 33 CO -0.03 0.15 -0.88 -1.28 -1.23 0.00 0.00 177.57 174.30 2k85 h SER 34 N 0.00 0.60 -0.16 4.19 0.87 0.36 0.24 113.55 119.65 2k85 h SER 34 Ca -0.00 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.16 2k85 h SER 34 Cb 0.69 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 2k85 h SER 34 CO 0.02 1.23 -0.24 0.03 -0.53 0.00 0.00 176.83 177.35 2k85 h ARG 35 N 0.29 -0.27 0.27 2.24 2.47 -0.26 0.50 114.38 119.62 2k85 h ARG 35 Ca -0.07 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2k85 h ARG 35 Cb 1.50 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 2k85 h ARG 35 CO 0.16 -0.18 -0.29 0.87 0.56 0.00 0.00 179.97 181.08 2k85 h LYS 36 N -0.28 -0.55 -0.33 0.04 1.57 -1.32 -3.29 116.57 112.41 2k85 h LYS 36 Ca 0.11 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2k85 h LYS 36 Cb 0.45 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2k85 h LYS 36 CO -0.33 -0.36 0.23 0.52 -0.57 0.00 0.00 179.45 178.94 2k85 h MET 37 N -0.57 0.18 0.00 3.15 2.86 -0.24 -2.96 114.93 117.36 2k85 h MET 37 Ca -0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2k85 h MET 37 Cb 0.50 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2k85 h MET 37 CO -0.05 0.12 -0.00 -0.56 1.06 0.00 0.00 176.91 177.48 2k85 h GLN 38 N 0.18 0.00 0.00 1.72 -0.00 -0.06 0.14 115.11 117.09 2k85 h GLN 38 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 2k85 h GLN 38 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 2k85 h GLN 38 CO -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.81 2k85 n ALA 39 N -2.31 2.33 -3.06 0.06 0.00 -1.12 -4.58 120.51 111.83 2k85 n ALA 39 Ca -0.03 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 2k85 n ALA 39 Cb 0.08 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.26 4.70 0.54 0.00 0.01 0.47 -4.99 113.70 112.18 2k85 s SER 40 Ca 0.31 -0.19 0.28 0.00 1.31 0.00 0.00 55.95 57.66 2k85 s SER 40 Cb 0.17 -1.78 1.45 0.00 0.21 0.00 0.00 66.02 66.06 2k85 s SER 40 CO 0.32 0.12 1.94 1.55 0.41 0.00 0.00 173.24 177.58 2k85 h PRO 41 N 7.07 0.00 0.16 12.44 0.13 -1.83 -2.17 132.00 147.80 2k85 h PRO 41 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2k85 h PRO 41 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k85 h PRO 41 CO 0.61 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 179.24 2k85 h GLU 42 N 0.00 -0.21 -0.60 0.86 4.39 -1.94 0.51 114.58 117.58 2k85 h GLU 42 Ca 0.33 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.08 2k85 h GLU 42 Cb 1.34 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.99 2k85 h GLU 42 CO -0.00 -0.02 0.35 -0.92 -1.16 0.00 0.00 179.01 177.26 2k85 h TYR 43 N -0.37 0.66 0.38 4.33 5.03 -1.62 -2.59 116.97 122.78 2k85 h TYR 43 Ca -0.02 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2k85 h TYR 43 Cb 0.29 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 2k85 h TYR 43 CO -0.02 0.35 -0.30 1.96 -1.32 0.00 0.00 178.16 178.83 2k85 h GLN 44 N 0.68 -0.63 -0.79 1.82 1.08 -1.05 -1.82 115.11 114.40 2k85 h GLN 44 Ca 0.25 0.04 0.19 0.00 -1.45 0.00 0.00 58.65 57.68 2k85 h GLN 44 Cb 0.08 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 27.53 2k85 h GLN 44 CO -0.13 -0.42 0.17 0.22 -0.95 0.00 0.00 178.83 177.72 2k85 h ASP 45 N -0.66 -0.05 -0.05 1.46 1.82 0.04 0.67 116.42 119.65 2k85 h ASP 45 Ca -0.05 0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.63 2k85 h ASP 45 Cb 0.55 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 2k85 h ASP 45 CO 0.01 -0.10 -0.39 0.22 -1.61 0.00 0.00 179.24 177.37 2k85 h TYR 46 N 0.22 0.67 0.00 0.28 3.20 -1.41 -0.95 116.97 118.99 2k85 h TYR 46 Ca 0.46 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 2k85 h TYR 46 Cb 0.84 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2k85 h TYR 46 CO -0.29 0.87 -0.20 0.28 -1.64 0.00 0.00 178.16 177.19 2k85 h VAL 47 N 0.47 0.35 0.08 1.81 2.07 -0.07 -0.11 116.25 120.85 2k85 h VAL 47 Ca 0.04 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 2k85 h VAL 47 Cb 0.89 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2k85 h VAL 47 CO 0.08 0.19 -0.04 0.22 0.02 0.00 0.00 177.57 178.04 2k85 h TYR 48 N 0.00 -0.10 0.17 1.57 3.20 0.73 -2.37 116.97 120.17 2k85 h TYR 48 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k85 h TYR 48 Cb 1.08 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2k85 h TYR 48 CO 0.00 0.27 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.64 2k85 h LEU 49 N -0.49 -0.19 0.00 2.82 3.38 -1.16 -3.43 115.31 116.24 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 0.41 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k85 h LEU 49 CO 0.02 -0.11 0.00 -0.62 0.09 0.00 0.00 178.44 177.82 2k85 n GLU 50 N -2.78 0.00 0.00 1.13 -0.58 -0.06 -5.10 120.64 113.25 2k85 n GLU 50 Ca -0.03 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2k85 n GLU 50 Cb 0.09 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 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 2.16 2.90 0.20 0.62 0.00 -0.89 -4.93 105.19 105.25 2k85 n GLY 51 Ca 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 1.00 1.06 0.08 2.61 1.35 -1.92 -2.81 112.91 114.28 2k85 h THR 52 Ca 0.00 -1.20 -0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2k85 h THR 52 Cb 0.00 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2k85 h THR 52 CO 0.00 0.32 -0.04 1.56 -0.25 0.00 0.00 175.52 177.11 2k85 h GLN 53 N 0.00 -0.11 -0.12 4.72 1.08 -1.96 0.39 115.11 119.10 2k85 h GLN 53 Ca -0.00 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 2k85 h GLN 53 Cb 0.65 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2k85 h GLN 53 CO 0.04 0.32 -0.31 0.87 -0.95 0.00 0.00 178.83 178.80 2k85 h LYS 54 N -0.56 0.24 -0.26 1.46 1.57 -1.91 -0.16 116.57 116.93 2k85 h LYS 54 Ca -0.01 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 2k85 h LYS 54 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2k85 h LYS 54 CO 0.02 0.53 -0.39 0.00 -0.57 0.00 0.00 179.45 179.03 2k85 h ALA 55 N 1.48 0.82 0.55 3.86 0.00 -1.42 0.55 119.26 125.09 2k85 h ALA 55 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2k85 h ALA 55 Cb 0.65 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k85 h ALA 55 CO 0.05 0.65 -0.26 -0.22 0.00 0.00 0.00 179.25 179.46 2k85 h LYS 56 N 0.51 -0.71 -0.83 0.00 3.64 0.40 0.35 116.57 119.93 2k85 h LYS 56 Ca 0.04 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 2k85 h LYS 56 Cb 0.91 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 2k85 h LYS 56 CO 0.08 -0.44 0.54 0.87 -2.27 0.00 0.00 179.45 178.23 2k85 h LYS 57 N -0.79 0.58 -0.38 1.90 1.57 -0.94 0.28 116.57 118.79 2k85 h LYS 57 Ca -0.07 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2k85 h LYS 57 Cb 0.59 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2k85 h LYS 57 CO 0.12 0.38 0.12 1.25 -0.57 0.00 0.00 179.45 180.75 2k85 h LEU 58 N 0.60 0.56 -0.14 2.94 5.85 0.53 -0.79 115.31 124.86 2k85 h LEU 58 Ca 0.41 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2k85 h LEU 58 Cb 0.74 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2k85 h LEU 58 CO -0.17 0.62 -0.16 0.15 -0.34 0.00 0.00 178.44 178.53 2k85 h PHE 59 N 0.47 -0.42 -0.29 1.25 3.57 0.15 -2.18 116.94 119.49 2k85 h PHE 59 Ca 0.12 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2k85 h PHE 59 Cb 0.26 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 2k85 h PHE 59 CO 0.01 -0.24 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.68 2k85 h LEU 60 N -0.20 -0.37 -0.21 0.59 -0.00 -0.22 0.13 115.31 115.02 2k85 h LEU 60 Ca 0.10 0.10 0.05 0.00 -0.00 0.00 0.00 57.88 58.13 2k85 h LEU 60 Cb 0.34 0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.17 2k85 h LEU 60 CO -0.26 -0.14 -0.15 1.56 -0.00 0.00 0.00 178.44 179.45 2k85 h GLN 61 N -0.05 -0.15 -0.83 1.13 4.20 -1.01 -0.21 115.11 118.19 2k85 h GLN 61 Ca 0.15 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2k85 h GLN 61 Cb 0.28 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2k85 h GLN 61 CO -0.33 -0.10 0.55 1.25 -0.67 0.00 0.00 178.83 179.53 2k85 h HIS 62 N -0.15 1.00 -0.75 2.96 2.76 -0.80 0.14 115.15 120.31 2k85 h HIS 62 Ca 0.12 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.42 2k85 h HIS 62 Cb 0.33 -0.34 -0.08 0.00 1.55 0.00 0.00 27.41 28.88 2k85 h HIS 62 CO -0.31 0.60 0.38 0.82 -1.30 0.00 0.00 177.93 178.12 2k85 h ILE 63 N 1.05 0.83 0.30 6.26 1.08 0.60 0.69 117.51 128.33 2k85 h ILE 63 Ca 0.32 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 2k85 h ILE 63 Cb -0.01 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2k85 h ILE 63 CO -0.09 0.12 -0.14 -0.74 -0.69 0.00 0.00 178.15 176.60 2k85 h HIS 64 N 0.63 -0.37 -0.64 1.37 2.76 0.56 -2.45 115.15 117.02 2k85 h HIS 64 Ca 0.38 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.67 2k85 h HIS 64 Cb 0.42 0.12 -0.12 0.00 1.55 0.00 0.00 27.41 29.38 2k85 h HIS 64 CO -0.10 -0.04 -0.14 0.00 -1.30 0.00 0.00 177.93 176.35 2k85 h ARG 65 N -0.75 0.01 0.00 5.26 3.08 -0.39 0.30 114.38 121.89 2k85 h ARG 65 Ca -0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2k85 h ARG 65 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k85 h ARG 65 CO 0.07 0.01 0.00 -0.11 -1.07 0.00 0.00 179.97 178.87 2k85 n LEU 66 N -5.42 0.00 -0.21 3.04 7.94 0.24 -1.62 117.00 120.97 2k85 n LEU 66 Ca 0.08 0.76 -0.02 0.00 -1.11 0.00 0.00 56.01 55.72 2k85 n LEU 66 Cb 0.34 -0.35 0.09 0.00 0.53 0.00 0.00 43.42 44.02 2k85 n LEU 66 CO 0.05 -0.35 1.06 0.11 -1.11 0.00 0.00 177.39 177.15 2k85 h LYS 67 N 0.00 0.59 -0.61 1.96 1.57 -0.82 -3.42 116.57 115.84 2k85 h LYS 67 Ca 0.00 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 2k85 h LYS 67 Cb 0.00 -0.13 -0.20 0.00 0.08 0.00 0.00 32.23 31.98 2k85 h LYS 67 CO 0.00 0.39 -0.18 -3.38 -0.57 0.00 0.00 179.45 175.71 2k85 s HIS 68 N -6.10 -1.13 -2.64 -1.35 -3.43 0.97 -5.11 115.29 96.51 2k85 s HIS 68 Ca -0.13 0.68 0.27 0.00 -0.80 0.00 0.00 55.06 55.08 2k85 s HIS 68 Cb 0.16 0.20 0.82 0.00 -1.43 0.00 0.00 32.58 32.33 2k85 s HIS 68 CO 0.75 -0.65 1.61 -1.91 -2.00 0.00 0.00 174.74 172.54