#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s GLN 2 N 0.00 3.49 -0.23 3.17 -1.52 -1.26 -1.75 119.66 121.56 1q86 s GLN 2 Ca 0.00 -0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.85 1q86 s GLN 2 Cb 0.00 -2.86 0.07 0.00 -0.22 0.00 0.00 33.01 30.00 1q86 s GLN 2 CO 0.00 0.42 0.56 1.41 -0.25 0.00 0.00 175.29 177.42 1q86 s MET 3 N -3.41 0.55 0.26 2.91 -2.45 0.14 -4.86 119.30 112.43 1q86 s MET 3 Ca 0.37 1.03 -0.31 0.00 -1.25 0.00 0.00 55.69 55.54 1q86 s MET 3 Cb -0.11 0.09 -0.12 0.00 1.25 0.00 0.00 34.83 35.95 1q86 s MET 3 CO 0.29 -0.16 1.66 -1.25 1.05 0.00 0.00 175.02 176.62 1q86 s PRO 4 N 1.60 4.12 0.35 4.11 0.04 -1.26 0.37 135.00 144.32 1q86 s PRO 4 Ca -0.09 2.60 0.06 0.00 0.04 0.00 0.00 61.00 63.61 1q86 s PRO 4 Cb -0.07 -3.04 0.66 0.00 0.04 0.00 0.00 34.50 32.09 1q86 s PRO 4 CO -0.17 -0.70 1.89 -0.09 0.04 0.00 0.00 177.00 177.98 1q86 h ARG 5 N 5.75 0.43 -4.47 4.56 9.65 -1.81 -3.44 114.38 125.05 1q86 h ARG 5 Ca -0.45 -0.09 -0.28 0.00 -1.10 0.00 0.00 59.98 58.06 1q86 h ARG 5 Cb 1.21 -0.06 -0.23 0.00 -1.39 0.00 0.00 29.97 29.50 1q86 h ARG 5 CO 0.87 0.49 -0.74 1.03 2.80 0.00 0.00 179.97 184.43 1q86 s ARG 6 N -4.90 0.49 -0.12 0.20 0.52 -1.26 -0.90 118.95 112.98 1q86 s ARG 6 Ca -0.07 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.20 1q86 s ARG 6 Cb 0.15 -0.28 0.13 0.00 0.52 0.00 0.00 34.95 35.47 1q86 s ARG 6 CO 0.75 0.05 1.05 -0.59 0.02 0.00 0.00 175.30 176.59 1q86 s PHE 7 N -1.13 -0.26 0.35 -0.53 -0.12 -0.68 -4.98 117.98 110.63 1q86 s PHE 7 Ca -0.08 0.27 -0.25 0.00 -0.05 0.00 0.00 56.93 56.82 1q86 s PHE 7 Cb -0.08 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.72 1q86 s PHE 7 CO 0.00 -0.35 1.00 -0.80 -0.05 0.00 0.00 175.22 175.02 1q86 s ASN 8 N -1.92 7.11 0.00 1.98 0.01 -1.26 -0.83 114.94 120.02 1q86 s ASN 8 Ca 0.05 1.94 0.00 0.00 -0.71 0.00 0.00 52.86 54.14 1q86 s ASN 8 Cb -0.01 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1q86 s ASN 8 CO -0.05 -0.24 0.00 1.07 -1.51 0.00 0.00 177.10 176.37 1q86 n THR 9 N 0.35 0.00 -1.83 1.60 5.66 -0.94 -4.91 114.28 114.21 1q86 n THR 9 Ca 0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.61 1q86 n THR 9 Cb 0.50 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.25 1q86 n THR 9 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1q86 s TYR 10 N -2.00 2.91 -0.34 1.09 5.04 -1.26 -2.19 117.35 120.60 1q86 s TYR 10 Ca 0.00 0.62 -0.08 0.00 -2.44 0.00 0.00 57.07 55.17 1q86 s TYR 10 Cb 0.00 -4.03 0.03 0.00 0.35 0.00 0.00 41.96 38.31 1q86 s TYR 10 CO 0.00 -3.69 0.13 0.00 -1.34 0.00 0.00 175.55 170.65 1q86 h PRO 12 N 8.29 0.00 0.00 0.00 0.13 -1.94 0.25 132.00 138.73 1q86 h PRO 12 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1q86 h PRO 12 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1q86 h PRO 12 CO 0.62 0.00 -0.03 0.45 -0.23 0.00 0.00 178.00 178.81 1q86 h HIS 13 N 0.00 0.00 -0.86 1.56 3.86 -1.94 -3.35 115.15 114.43 1q86 h HIS 13 Ca 0.07 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.52 1q86 h HIS 13 Cb 0.60 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 1q86 h HIS 13 CO 0.00 0.00 0.61 0.00 0.86 0.00 0.00 177.93 179.40 1q86 n ASN 15 N -4.33 -3.26 -3.59 0.00 2.85 0.88 -5.00 115.26 102.81 1q86 n ASN 15 Ca 0.18 -0.03 -0.13 0.00 -0.11 0.00 0.00 54.58 54.48 1q86 n ASN 15 Cb 0.87 -2.47 -0.06 0.00 1.24 0.00 0.00 39.78 39.36 1q86 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1q86 s GLU 16 N -4.56 0.77 0.14 1.20 -1.05 -1.22 -4.98 118.70 108.99 1q86 s GLU 16 Ca 0.02 0.52 -0.34 0.00 -0.15 0.00 0.00 54.97 55.03 1q86 s GLU 16 Cb -0.01 0.37 -0.13 0.00 -0.44 0.00 0.00 34.13 33.91 1q86 s GLU 16 CO 0.03 -0.17 1.62 0.72 0.95 0.00 0.00 175.26 178.40 1q86 n HIS 17 N 1.67 2.32 -3.87 4.83 8.25 -1.26 -3.55 115.22 123.60 1q86 n HIS 17 Ca -0.14 0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 57.45 1q86 n HIS 17 Cb 0.56 -2.57 -0.05 0.00 1.12 0.00 0.00 29.99 29.06 1q86 n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1q86 s GLN 18 N 1.23 1.34 -0.15 -0.41 -0.21 -0.93 -4.90 119.66 115.63 1q86 s GLN 18 Ca 0.80 -1.05 -0.29 0.00 0.02 0.00 0.00 55.36 54.84 1q86 s GLN 18 Cb -0.66 0.46 -0.03 0.00 1.00 0.00 0.00 33.01 33.78 1q86 s GLN 18 CO 0.39 -0.54 1.47 -2.00 -2.12 0.00 0.00 175.29 172.48 1q86 s GLU 19 N -3.93 4.10 0.24 2.91 2.12 -1.26 -2.22 118.70 120.65 1q86 s GLU 19 Ca 0.14 1.81 0.07 0.00 0.36 0.00 0.00 54.97 57.35 1q86 s GLU 19 Cb 0.00 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1q86 s GLU 19 CO 0.01 -0.90 0.20 -1.01 -0.54 0.00 0.00 175.26 173.01 1q86 s HIS 20 N 4.09 3.14 -0.08 5.30 3.76 -0.01 -0.29 115.29 131.20 1q86 s HIS 20 Ca 0.64 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 1q86 s HIS 20 Cb -0.26 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 1q86 s HIS 20 CO 0.23 0.52 -0.22 -2.00 -0.85 0.00 0.00 174.74 172.42 1q86 s GLU 21 N -3.74 2.62 -0.13 1.40 2.12 -0.03 -1.68 118.70 119.26 1q86 s GLU 21 Ca 0.33 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.76 1q86 s GLU 21 Cb -0.08 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 1q86 s GLU 21 CO 0.25 0.23 0.17 0.08 -0.54 0.00 0.00 175.26 175.45 1q86 s VAL 22 N 0.20 5.43 0.02 3.70 1.01 -0.08 -1.10 120.40 129.58 1q86 s VAL 22 Ca -0.12 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1q86 s VAL 22 Cb -0.16 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1q86 s VAL 22 CO 0.06 0.56 0.06 -0.70 0.00 0.00 0.00 175.10 175.08 1q86 s GLU 23 N -0.63 0.43 -0.04 2.72 2.12 -0.88 -4.91 118.70 117.52 1q86 s GLU 23 Ca 0.14 -0.57 -0.28 0.00 0.36 0.00 0.00 54.97 54.63 1q86 s GLU 23 Cb -0.12 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 1q86 s GLU 23 CO 0.04 -0.09 0.90 0.15 -0.54 0.00 0.00 175.26 175.72 1q86 s LYS 24 N -1.68 4.50 -0.24 4.30 1.02 -1.26 -0.58 119.74 125.79 1q86 s LYS 24 Ca -0.13 1.26 -0.28 0.00 0.02 0.00 0.00 55.97 56.83 1q86 s LYS 24 Cb -0.07 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1q86 s LYS 24 CO -0.01 -0.07 2.20 0.08 -0.92 0.00 0.00 175.35 176.64 1q86 s VAL 25 N 1.13 3.04 0.01 3.17 1.01 -0.89 -4.91 120.40 122.96 1q86 s VAL 25 Ca 0.47 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1q86 s VAL 25 Cb -0.20 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1q86 s VAL 25 CO 0.23 -0.04 0.98 -0.13 0.00 0.00 0.00 175.10 176.15 1q86 s ARG 26 N 6.43 4.57 0.26 2.72 0.52 -1.26 -4.98 118.95 127.22 1q86 s ARG 26 Ca 0.99 1.42 -0.31 0.00 -0.52 0.00 0.00 55.73 57.32 1q86 s ARG 26 Cb -0.31 -3.46 -0.11 0.00 0.52 0.00 0.00 34.95 31.59 1q86 s ARG 26 CO 0.34 -0.04 1.62 -1.12 0.02 0.00 0.00 175.30 176.13 1q86 s SER 27 N 0.95 6.39 0.69 0.23 0.01 -1.26 -4.98 113.70 115.72 1q86 s SER 27 Ca 0.52 2.91 -0.11 0.00 1.31 0.00 0.00 55.95 60.58 1q86 s SER 27 Cb -0.21 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1q86 s SER 27 CO 0.28 -0.92 1.06 -0.83 0.41 0.00 0.00 173.24 173.24 1q86 s GLY 28 N 0.70 1.68 0.10 3.44 0.00 -1.26 -5.03 107.32 106.94 1q86 s GLY 28 Ca 0.66 0.08 -0.09 0.00 0.00 0.00 0.00 44.72 45.38 1q86 s GLY 28 CO 0.43 0.39 0.41 -1.60 0.00 0.00 0.00 173.10 172.72 1q86 s ARG 29 N -5.03 3.74 0.32 2.90 3.52 -1.26 -5.07 118.95 118.06 1q86 s ARG 29 Ca 0.58 0.14 -0.21 0.00 -0.13 0.00 0.00 55.73 56.11 1q86 s ARG 29 Cb -0.14 -2.94 -0.09 0.00 -1.56 0.00 0.00 34.95 30.21 1q86 s ARG 29 CO 0.54 0.52 0.84 -0.65 -0.81 0.00 0.00 175.30 175.75 1q86 s GLN 30 N -2.12 4.30 0.06 5.12 -0.21 -1.26 -4.98 119.66 120.57 1q86 s GLN 30 Ca 0.36 1.02 0.17 0.00 0.02 0.00 0.00 55.36 56.93 1q86 s GLN 30 Cb -0.13 -2.61 -0.13 0.00 1.00 0.00 0.00 33.01 31.13 1q86 s GLN 30 CO 0.19 0.22 0.83 0.25 -2.12 0.00 0.00 175.29 174.66 1q86 n THR 31 N 0.16 1.18 -2.36 -0.19 -2.24 -1.26 -4.96 114.28 104.61 1q86 n THR 31 Ca 0.02 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1q86 n THR 31 Cb 0.52 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1q86 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q86 n GLY 32 N 1.39 0.03 0.00 3.38 0.00 -1.26 -4.90 105.19 103.84 1q86 n GLY 32 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1q86 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q86 n MET 33 N -2.07 0.20 -0.95 1.61 2.81 -1.26 -4.87 117.12 112.59 1q86 n MET 33 Ca -0.09 -0.54 -0.29 0.00 -1.81 0.00 0.00 57.70 54.96 1q86 n MET 33 Cb 0.58 -0.78 0.23 0.00 -0.71 0.00 0.00 33.22 32.54 1q86 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1q86 s LYS 34 N -0.19 -1.00 0.12 0.03 3.01 -1.26 -4.84 119.74 115.61 1q86 s LYS 34 Ca 0.00 0.21 -0.17 0.00 -1.01 0.00 0.00 55.97 55.00 1q86 s LYS 34 Cb 0.00 -1.60 -0.03 0.00 -1.01 0.00 0.00 37.83 35.19 1q86 s LYS 34 CO 0.00 -3.62 1.63 2.35 0.51 0.00 0.00 175.35 176.22 1q86 h TRP 35 N -2.52 0.58 -0.88 3.18 7.01 -2.00 -2.53 115.95 118.79 1q86 h TRP 35 Ca -0.50 -0.06 0.15 0.00 2.11 0.00 0.00 58.89 60.59 1q86 h TRP 35 Cb 1.32 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 28.14 1q86 h TRP 35 CO -1.33 0.58 0.57 0.97 -2.79 0.00 0.00 178.44 176.44 1q86 h ILE 36 N 0.42 0.80 -0.57 2.65 6.09 -1.99 -0.37 117.51 124.54 1q86 h ILE 36 Ca 0.11 -0.21 -0.08 0.00 -1.37 0.00 0.00 64.86 63.31 1q86 h ILE 36 Cb 0.28 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.67 1q86 h ILE 36 CO -0.00 0.11 0.04 0.44 -3.07 0.00 0.00 178.15 175.67 1q86 h ASP 37 N 0.62 0.95 -0.03 2.19 3.32 -1.80 -1.72 116.42 119.96 1q86 h ASP 37 Ca 0.45 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1q86 h ASP 37 Cb 0.80 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1q86 h ASP 37 CO -0.20 1.01 -0.30 0.03 -1.72 0.00 0.00 179.24 178.06 1q86 h ARG 38 N 0.87 0.48 -0.24 3.56 3.08 -0.92 -2.68 114.38 118.53 1q86 h ARG 38 Ca 0.17 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1q86 h ARG 38 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1q86 h ARG 38 CO 0.02 0.73 -0.41 0.37 -1.07 0.00 0.00 179.97 179.61 1q86 h GLN 39 N 0.42 0.58 0.47 0.04 4.15 -0.98 0.12 115.11 119.91 1q86 h GLN 39 Ca 0.05 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 1q86 h GLN 39 Cb 0.74 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1q86 h GLN 39 CO 0.06 0.89 -0.23 -0.09 -1.93 0.00 0.00 178.83 177.52 1q86 h ARG 40 N 0.47 -0.61 0.32 1.69 2.43 -1.05 0.50 114.38 118.13 1q86 h ARG 40 Ca 0.04 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1q86 h ARG 40 Cb 0.92 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1q86 h ARG 40 CO 0.08 -0.39 -0.32 0.93 -1.51 0.00 0.00 179.97 178.76 1q86 h GLU 41 N -0.68 -0.65 0.02 0.20 5.08 -1.41 -1.64 114.58 115.50 1q86 h GLU 41 Ca -0.07 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1q86 h GLU 41 Cb 0.51 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1q86 h GLU 41 CO 0.11 -0.43 -0.43 -0.09 -1.00 0.00 0.00 179.01 177.17 1q86 h ARG 42 N -0.67 -0.57 0.00 2.33 2.43 -0.61 -3.16 114.38 114.13 1q86 h ARG 42 Ca -0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1q86 h ARG 42 Cb 0.61 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1q86 h ARG 42 CO -0.07 -0.38 0.00 -0.91 -1.51 0.00 0.00 179.97 177.10 1q86 h ASN 43 N -0.59 0.00 -3.20 -3.80 4.21 0.04 -3.45 115.58 108.79 1q86 h ASN 43 Ca 0.04 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.97 1q86 h ASN 43 Cb 0.66 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.80 1q86 h ASN 43 CO -0.31 0.00 0.62 -0.44 -1.29 0.00 0.00 177.43 176.01 1q86 s SER 44 N -5.67 7.06 0.00 5.81 0.01 -0.62 -4.97 113.70 115.32 1q86 s SER 44 Ca 0.04 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1q86 s SER 44 Cb 0.08 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1q86 s SER 44 CO 0.58 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1q86 n GLY 45 N 3.36 5.68 3.72 3.44 0.00 -1.26 -4.97 105.19 115.16 1q86 n GLY 45 Ca 0.09 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1q86 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q86 s ILE 46 N 2.09 3.83 0.00 -0.61 1.01 -1.26 -4.82 121.20 121.45 1q86 s ILE 46 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1q86 s ILE 46 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1q86 s ILE 46 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1q86 n GLY 47 N 2.79 -1.89 3.69 6.18 0.00 -1.26 -4.90 105.19 109.80 1q86 n GLY 47 Ca 0.07 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 1q86 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q86 n ASN 48 N 0.54 2.82 -1.97 1.61 5.15 -1.26 -4.91 115.26 117.24 1q86 n ASN 48 Ca 0.00 1.17 -0.15 0.00 -0.60 0.00 0.00 54.58 55.00 1q86 n ASN 48 Cb 0.00 -1.46 0.20 0.00 -0.53 0.00 0.00 39.78 37.99 1q86 n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q86 n ASP 49 N 1.64 3.97 0.00 1.20 8.00 -1.26 -4.85 116.55 125.25 1q86 n ASP 49 Ca 0.09 -3.25 0.00 0.00 0.71 0.00 0.00 54.79 52.34 1q86 n ASP 49 Cb 0.34 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1q86 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q86 n GLY 50 N -0.58 3.66 0.33 0.44 0.00 -1.26 -2.19 105.19 105.59 1q86 n GLY 50 Ca 0.45 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.48 1q86 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q86 h LYS 51 N 0.00 0.57 0.00 1.61 2.10 -2.00 -1.52 116.57 117.33 1q86 h LYS 51 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1q86 h LYS 51 Cb 0.00 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 1q86 h LYS 51 CO 0.00 0.38 0.00 1.19 -2.00 0.00 0.00 179.45 179.02 1q86 n PHE 52 N -4.47 0.00 0.99 0.07 3.01 -0.93 -2.32 117.46 113.80 1q86 n PHE 52 Ca 0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.64 1q86 n PHE 52 Cb 0.18 -0.02 0.07 0.00 -0.01 0.00 0.00 39.48 39.69 1q86 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1q86 n SER 53 N -1.02 2.69 -4.83 4.37 7.64 -0.57 -4.92 113.62 116.98 1q86 n SER 53 Ca 0.14 -1.85 -0.29 0.00 1.01 0.00 0.00 58.87 57.89 1q86 n SER 53 Cb 0.07 0.14 0.10 0.00 -1.01 0.00 0.00 64.21 63.52 1q86 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1q86 s LYS 54 N -2.12 1.73 -0.00 1.43 1.02 -0.98 -5.01 119.74 115.81 1q86 s LYS 54 Ca 0.25 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.35 1q86 s LYS 54 Cb 0.19 -1.92 -0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1q86 s LYS 54 CO 0.38 -1.75 -0.02 0.14 -0.92 0.00 0.00 175.35 173.17 1q86 s VAL 55 N -3.55 0.20 0.00 3.17 -7.23 -1.26 -5.11 120.40 106.62 1q86 s VAL 55 Ca 0.63 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 1q86 s VAL 55 Cb -0.11 -0.18 0.00 0.00 0.56 0.00 0.00 36.38 36.65 1q86 s VAL 55 CO 0.50 0.06 0.00 -2.65 -0.31 0.00 0.00 175.10 172.70 1q86 n PRO 56 N 3.04 0.00 0.00 4.82 -0.02 -1.26 -4.93 135.00 136.64 1q86 n PRO 56 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1q86 n PRO 56 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 1q86 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q86 n GLY 57 N 0.00 -1.76 0.00 -1.23 0.00 -1.26 -5.06 105.19 95.87 1q86 n GLY 57 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1q86 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 58 N -0.04 -0.70 3.09 -0.02 0.00 -1.26 -5.17 105.19 101.09 1q86 n GLY 58 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1q86 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q86 s ASP 59 N -4.00 0.98 0.27 1.61 1.01 -1.26 -5.14 116.67 110.14 1q86 s ASP 59 Ca 0.00 -0.62 -0.10 0.00 0.71 0.00 0.00 52.55 52.55 1q86 s ASP 59 Cb 0.00 0.03 -0.07 0.00 1.01 0.00 0.00 42.92 43.89 1q86 s ASP 59 CO 0.00 -0.22 0.59 -0.75 0.21 0.00 0.00 175.17 175.00 1q86 s LYS 60 N -1.89 3.79 0.58 8.23 2.47 -1.26 -4.96 119.74 126.71 1q86 s LYS 60 Ca -0.06 0.29 0.28 0.00 -1.56 0.00 0.00 55.97 54.92 1q86 s LYS 60 Cb -0.08 -2.59 1.57 0.00 -1.46 0.00 0.00 37.83 35.27 1q86 s LYS 60 CO -0.00 0.24 2.05 -1.00 0.16 0.00 0.00 175.35 176.81 1q86 h PRO 61 N 2.23 0.00 -3.12 4.03 0.13 -2.06 -3.41 132.00 129.79 1q86 h PRO 61 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1q86 h PRO 61 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 1q86 h PRO 61 CO 0.68 0.00 -0.45 0.99 -0.23 0.00 0.00 178.00 178.99 1q86 s THR 62 N -4.71 -0.01 0.38 1.56 2.01 -1.26 -5.03 115.64 108.58 1q86 s THR 62 Ca -0.05 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 1q86 s THR 62 Cb 0.16 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1q86 s THR 62 CO 0.58 0.01 0.60 -0.54 -0.69 0.00 0.00 174.62 174.58 1q86 s LYS 63 N 0.39 3.44 0.63 4.92 -0.14 -1.26 -4.90 119.74 122.81 1q86 s LYS 63 Ca -0.02 -0.28 -0.05 0.00 -1.36 0.00 0.00 55.97 54.25 1q86 s LYS 63 Cb -0.04 -2.61 0.03 0.00 -1.68 0.00 0.00 37.83 33.53 1q86 s LYS 63 CO -0.02 0.05 0.93 0.15 -0.76 0.00 0.00 175.35 175.70 1q86 s LYS 64 N -4.41 2.61 -0.07 1.68 1.02 -1.26 -2.48 119.74 116.83 1q86 s LYS 64 Ca 0.42 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.93 1q86 s LYS 64 Cb -0.10 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1q86 s LYS 64 CO 0.37 -0.90 1.32 0.99 -0.92 0.00 0.00 175.35 176.22 1q86 s THR 65 N -3.06 4.04 -0.79 2.17 2.01 -0.22 -4.83 115.64 114.97 1q86 s THR 65 Ca 0.56 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.93 1q86 s THR 65 Cb -0.11 -3.87 0.19 0.00 0.01 0.00 0.00 72.50 68.73 1q86 s THR 65 CO 0.44 -0.05 0.62 -0.62 -0.69 0.00 0.00 174.62 174.32 1q86 s ASP 66 N 1.92 5.36 0.31 3.53 2.15 -1.26 -4.00 116.67 124.68 1q86 s ASP 66 Ca 0.59 -3.76 0.09 0.00 0.43 0.00 0.00 52.55 49.90 1q86 s ASP 66 Cb -0.26 -1.76 -0.04 0.00 -0.30 0.00 0.00 42.92 40.55 1q86 s ASP 66 CO 0.22 -0.14 0.08 -0.76 -0.17 0.00 0.00 175.17 174.40 1q86 s LEU 67 N -1.37 3.23 -0.09 -1.34 1.43 -1.26 -2.10 118.68 117.18 1q86 s LEU 67 Ca 0.26 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1q86 s LEU 67 Cb -0.06 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1q86 s LEU 67 CO -0.14 -0.18 -0.23 -0.54 0.23 0.00 0.00 176.35 175.49 1q86 s LYS 68 N -3.77 2.88 -0.28 1.70 1.02 0.25 -4.57 119.74 116.97 1q86 s LYS 68 Ca 0.35 -0.83 -0.07 0.00 0.02 0.00 0.00 55.97 55.45 1q86 s LYS 68 Cb -0.04 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1q86 s LYS 68 CO 0.21 0.17 0.07 0.71 -0.92 0.00 0.00 175.35 175.59 1q86 s TYR 69 N 0.36 3.12 -0.28 3.18 1.51 -0.78 -2.07 117.35 122.38 1q86 s TYR 69 Ca -0.18 -0.88 -0.08 0.00 -1.01 0.00 0.00 57.07 54.92 1q86 s TYR 69 Cb -0.18 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 1q86 s TYR 69 CO 0.08 -0.54 0.09 1.03 -1.11 0.00 0.00 175.55 175.11 1q86 s ARG 70 N 1.52 3.36 0.08 -0.62 0.52 -0.26 -0.58 118.95 122.97 1q86 s ARG 70 Ca 0.04 -0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 54.26 1q86 s ARG 70 Cb -0.17 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 31.82 1q86 s ARG 70 CO 0.02 -0.34 1.72 0.00 0.02 0.00 0.00 175.30 176.72 1q86 h GLY 72 N 8.71 0.00 0.00 0.00 0.00 -0.98 -1.41 103.07 109.40 1q86 h GLY 72 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 1q86 h GLY 72 CO 0.94 0.00 -1.48 -2.21 0.00 0.00 0.00 176.54 173.79 1q86 n GLU 73 N -2.39 1.74 0.00 4.80 2.13 -1.26 -4.65 120.64 121.01 1q86 n GLU 73 Ca 0.00 0.02 0.10 0.00 0.66 0.00 0.00 57.16 57.95 1q86 n GLU 73 Cb 0.15 -1.17 -0.09 0.00 0.27 0.00 0.00 31.44 30.59 1q86 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q86 n GLY 75 N 1.43 0.62 3.76 0.00 0.00 -0.53 -5.00 105.19 105.47 1q86 n GLY 75 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1q86 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q86 s LYS 76 N -0.38 4.46 0.41 1.61 1.02 -1.26 -4.66 119.74 120.93 1q86 s LYS 76 Ca 0.00 1.00 0.04 0.00 0.02 0.00 0.00 55.97 57.03 1q86 s LYS 76 Cb 0.00 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1q86 s LYS 76 CO 0.00 0.38 0.59 0.00 -0.92 0.00 0.00 175.35 175.40 1q86 s ALA 77 N -0.36 4.12 0.11 5.17 0.00 -1.26 -2.38 121.76 127.16 1q86 s ALA 77 Ca 0.36 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1q86 s ALA 77 Cb -0.20 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1q86 s ALA 77 CO 0.22 -0.28 0.15 -3.38 0.00 0.00 0.00 175.76 172.47 1q86 s HIS 78 N -2.40 0.43 0.19 0.00 -3.43 0.25 -4.96 115.29 105.38 1q86 s HIS 78 Ca 0.50 -0.86 0.07 0.00 -0.80 0.00 0.00 55.06 53.97 1q86 s HIS 78 Cb -0.10 -0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 30.81 1q86 s HIS 78 CO 0.34 -0.56 0.02 -0.51 -2.00 0.00 0.00 174.74 172.03 1q86 s LEU 79 N -2.94 3.37 0.11 5.38 1.43 -1.26 -1.87 118.68 122.89 1q86 s LEU 79 Ca 0.13 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1q86 s LEU 79 Cb 0.06 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1q86 s LEU 79 CO -0.05 0.07 -0.08 -0.13 0.23 0.00 0.00 176.35 176.39 1q86 s ARG 80 N -3.07 0.87 0.73 1.70 0.52 -1.26 -5.03 118.95 113.41 1q86 s ARG 80 Ca 0.28 -1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 54.04 1q86 s ARG 80 Cb -0.09 -0.36 0.03 0.00 0.52 0.00 0.00 34.95 35.05 1q86 s ARG 80 CO 0.19 0.02 1.12 0.39 0.02 0.00 0.00 175.30 177.05 1q86 n GLU 81 N 0.10 0.54 -3.68 3.54 1.02 -1.26 -4.85 120.64 116.05 1q86 n GLU 81 Ca -0.13 0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 1q86 n GLU 81 Cb 0.60 -2.37 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1q86 n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1q86 s GLY 82 N -1.74 2.19 0.01 0.62 0.00 -1.26 -4.98 107.32 102.17 1q86 s GLY 82 Ca 0.76 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 43.66 1q86 s GLY 82 CO 0.48 -1.77 -0.03 0.66 0.00 0.00 0.00 173.10 172.44 1q86 s TRP 83 N -2.55 0.29 0.15 1.90 -2.14 -1.26 -4.70 118.94 110.63 1q86 s TRP 83 Ca 0.45 -0.22 -0.34 0.00 2.66 0.00 0.00 56.10 58.65 1q86 s TRP 83 Cb -0.02 -0.19 -0.14 0.00 -3.10 0.00 0.00 33.47 30.02 1q86 s TRP 83 CO 0.26 -0.06 1.53 0.54 -2.66 0.00 0.00 176.95 176.57 1q86 n ARG 84 N 2.47 1.97 -3.26 3.25 1.74 -1.26 -1.06 116.66 120.51 1q86 n ARG 84 Ca -0.16 0.71 0.02 0.00 -0.77 0.00 0.00 57.85 57.65 1q86 n ARG 84 Cb 0.58 -2.46 -0.02 0.00 -1.02 0.00 0.00 32.46 29.54 1q86 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 s ALA 85 N 0.82 -2.12 0.62 7.54 0.00 -1.04 -4.90 121.76 122.69 1q86 s ALA 85 Ca 0.80 1.87 0.32 0.00 0.00 0.00 0.00 51.96 54.94 1q86 s ALA 85 Cb -0.73 -2.05 1.76 0.00 0.00 0.00 0.00 23.12 22.11 1q86 s ALA 85 CO 0.40 -1.24 2.07 0.78 0.00 0.00 0.00 175.76 177.77 1q86 h GLY 86 N 8.02 0.00 -5.12 0.00 0.00 -1.93 -3.42 103.07 100.61 1q86 h GLY 86 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1q86 h GLY 86 CO 0.23 0.00 0.16 -1.60 0.00 0.00 0.00 176.54 175.33 1q86 s ARG 87 N -4.40 0.72 -0.12 4.80 3.52 -1.26 -4.98 118.95 117.23 1q86 s ARG 87 Ca -0.04 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 1q86 s ARG 87 Cb 0.13 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 1q86 s ARG 87 CO 0.45 -0.11 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.54 1q86 s LEU 88 N 0.84 1.50 -0.03 -0.88 2.96 -1.26 0.70 118.68 122.51 1q86 s LEU 88 Ca -0.04 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1q86 s LEU 88 Cb -0.05 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1q86 s LEU 88 CO -0.08 -0.06 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.08 1q86 s GLU 89 N 1.43 1.73 0.19 1.98 2.02 -0.72 -4.99 118.70 120.34 1q86 s GLU 89 Ca 0.02 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.23 1q86 s GLU 89 Cb -0.13 -1.60 -0.07 0.00 0.10 0.00 0.00 34.13 32.43 1q86 s GLU 89 CO -0.07 0.37 0.49 -0.06 0.02 0.00 0.00 175.26 176.01 1q86 s PHE 90 N -0.29 3.47 -0.49 1.61 0.40 -1.25 0.26 117.98 121.69 1q86 s PHE 90 Ca 0.03 0.80 -0.14 0.00 -0.60 0.00 0.00 56.93 57.03 1q86 s PHE 90 Cb -0.09 -2.19 0.10 0.00 0.51 0.00 0.00 43.02 41.34 1q86 s PHE 90 CO 0.00 0.35 0.40 -0.65 0.70 0.00 0.00 175.22 176.02 1q86 s GLN 91 N -2.61 2.85 0.00 0.44 -0.21 0.16 -4.82 119.66 115.47 1q86 s GLN 91 Ca 0.44 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1q86 s GLN 91 Cb -0.12 -4.10 0.00 0.00 1.00 0.00 0.00 33.01 29.79 1q86 s GLN 91 CO 0.22 -1.14 0.00 0.39 -2.12 0.00 0.00 175.29 172.64