#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s GLN 2 N 0.00 3.02 -0.28 3.17 -1.52 -1.26 -1.57 119.66 121.23 1m90 s GLN 2 Ca 0.00 -1.00 -0.18 0.00 -1.95 0.00 0.00 55.36 52.23 1m90 s GLN 2 Cb 0.00 -2.63 0.09 0.00 -0.22 0.00 0.00 33.01 30.25 1m90 s GLN 2 CO 0.00 0.41 0.74 1.41 -0.25 0.00 0.00 175.29 177.60 1m90 s MET 3 N -3.87 0.68 0.31 2.91 -2.45 -0.08 -4.87 119.30 111.94 1m90 s MET 3 Ca 0.33 1.10 -0.29 0.00 -1.25 0.00 0.00 55.69 55.58 1m90 s MET 3 Cb -0.08 0.18 -0.11 0.00 1.25 0.00 0.00 34.83 36.07 1m90 s MET 3 CO 0.26 -0.13 1.44 -1.25 1.05 0.00 0.00 175.02 176.39 1m90 s PRO 4 N 1.36 4.22 0.37 4.11 0.04 -1.26 0.31 135.00 144.15 1m90 s PRO 4 Ca -0.08 2.40 0.11 0.00 0.04 0.00 0.00 61.00 63.47 1m90 s PRO 4 Cb -0.05 -3.05 0.71 0.00 0.04 0.00 0.00 34.50 32.16 1m90 s PRO 4 CO -0.16 -0.43 1.83 -0.09 0.04 0.00 0.00 177.00 178.20 1m90 h ARG 5 N 4.00 0.08 -4.44 4.56 9.65 -1.81 -3.44 114.38 122.99 1m90 h ARG 5 Ca -0.48 -0.03 -0.27 0.00 -1.10 0.00 0.00 59.98 58.10 1m90 h ARG 5 Cb 1.23 -0.01 -0.23 0.00 -1.39 0.00 0.00 29.97 29.57 1m90 h ARG 5 CO 0.71 0.40 -0.73 1.03 2.80 0.00 0.00 179.97 184.17 1m90 s ARG 6 N -4.31 0.47 -0.18 0.20 0.52 -1.26 -0.81 118.95 113.59 1m90 s ARG 6 Ca -0.04 -0.62 -0.32 0.00 -0.52 0.00 0.00 55.73 54.24 1m90 s ARG 6 Cb 0.14 -0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.49 1m90 s ARG 6 CO 0.73 0.05 1.14 -0.59 0.02 0.00 0.00 175.30 176.66 1m90 s PHE 7 N -1.11 -0.20 0.26 -0.53 -0.12 -0.89 -4.97 117.98 110.41 1m90 s PHE 7 Ca -0.08 0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 56.74 1m90 s PHE 7 Cb -0.08 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.71 1m90 s PHE 7 CO 0.00 -0.25 0.97 -0.80 -0.05 0.00 0.00 175.22 175.09 1m90 s ASN 8 N -1.69 7.54 -0.04 1.98 0.01 -1.26 -0.84 114.94 120.64 1m90 s ASN 8 Ca 0.06 2.00 -0.31 0.00 -0.71 0.00 0.00 52.86 53.90 1m90 s ASN 8 Cb -0.01 -2.61 0.12 0.00 0.41 0.00 0.00 41.25 39.16 1m90 s ASN 8 CO -0.04 0.08 1.28 0.28 -1.51 0.00 0.00 177.10 177.19 1m90 s THR 9 N -1.22 0.00 0.23 1.60 -1.32 -0.83 -4.94 115.64 109.17 1m90 s THR 9 Ca 0.43 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 1m90 s THR 9 Cb -0.26 -1.87 -0.10 0.00 -1.51 0.00 0.00 72.50 68.75 1m90 s THR 9 CO 0.33 0.00 1.51 -0.47 -2.21 0.00 0.00 174.62 173.78 1m90 s TYR 10 N -2.42 2.98 -0.33 9.09 5.04 -1.26 -1.63 117.35 128.82 1m90 s TYR 10 Ca 0.14 0.85 -0.04 0.00 -2.44 0.00 0.00 57.07 55.57 1m90 s TYR 10 Cb 0.04 -3.90 0.05 0.00 0.35 0.00 0.00 41.96 38.50 1m90 s TYR 10 CO -0.04 -3.08 0.08 0.00 -1.34 0.00 0.00 175.55 171.17 1m90 h PRO 12 N 8.13 0.00 0.00 0.00 0.13 -1.94 0.33 132.00 138.65 1m90 h PRO 12 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1m90 h PRO 12 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1m90 h PRO 12 CO 0.59 0.00 -0.22 0.45 -0.23 0.00 0.00 178.00 178.59 1m90 h HIS 13 N 0.00 0.00 -0.17 1.56 3.86 -1.94 -3.35 115.15 115.11 1m90 h HIS 13 Ca 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1m90 h HIS 13 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1m90 h HIS 13 CO 0.00 0.00 0.14 0.00 0.86 0.00 0.00 177.93 178.93 1m90 n ASN 15 N -4.15 -4.47 -3.58 0.00 2.85 0.12 -5.00 115.26 101.02 1m90 n ASN 15 Ca 0.01 -0.20 -0.11 0.00 -0.11 0.00 0.00 54.58 54.17 1m90 n ASN 15 Cb 0.27 -3.30 -0.06 0.00 1.24 0.00 0.00 39.78 37.94 1m90 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1m90 s GLU 16 N -5.34 0.62 0.29 1.20 -1.05 -1.21 -4.98 118.70 108.22 1m90 s GLU 16 Ca 0.22 0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.98 1m90 s GLU 16 Cb -0.10 0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 33.77 1m90 s GLU 16 CO 0.27 -0.17 1.52 0.72 0.95 0.00 0.00 175.26 178.54 1m90 n HIS 17 N 1.04 2.64 -3.69 4.83 8.25 -1.26 -3.37 115.22 123.66 1m90 n HIS 17 Ca -0.11 0.33 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1m90 n HIS 17 Cb 0.57 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.11 1m90 n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1m90 s GLN 18 N -0.67 1.52 0.05 -0.41 -0.21 -0.64 -4.90 119.66 114.39 1m90 s GLN 18 Ca 0.64 -0.80 -0.31 0.00 0.02 0.00 0.00 55.36 54.91 1m90 s GLN 18 Cb -0.54 0.58 -0.06 0.00 1.00 0.00 0.00 33.01 33.98 1m90 s GLN 18 CO 0.51 -0.67 1.38 -2.00 -2.12 0.00 0.00 175.29 172.38 1m90 s GLU 19 N -3.86 4.31 0.30 2.91 2.12 -1.26 -1.96 118.70 121.26 1m90 s GLU 19 Ca 0.08 1.99 0.09 0.00 0.36 0.00 0.00 54.97 57.49 1m90 s GLU 19 Cb -0.03 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1m90 s GLU 19 CO -0.02 -0.49 0.02 -1.01 -0.54 0.00 0.00 175.26 173.22 1m90 s HIS 20 N 1.77 2.63 -0.10 5.30 3.76 -0.02 0.06 115.29 128.68 1m90 s HIS 20 Ca 0.64 -0.32 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1m90 s HIS 20 Cb -0.33 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1m90 s HIS 20 CO 0.28 0.53 -0.22 -2.00 -0.85 0.00 0.00 174.74 172.48 1m90 s GLU 21 N -3.71 2.88 -0.14 1.40 2.12 0.48 -2.10 118.70 119.64 1m90 s GLU 21 Ca 0.33 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 1m90 s GLU 21 Cb -0.04 -2.20 -0.05 0.00 0.26 0.00 0.00 34.13 32.11 1m90 s GLU 21 CO 0.20 0.15 0.22 0.08 -0.54 0.00 0.00 175.26 175.36 1m90 s VAL 22 N 0.42 5.36 0.01 3.70 1.01 0.01 -1.14 120.40 129.77 1m90 s VAL 22 Ca -0.18 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1m90 s VAL 22 Cb -0.18 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1m90 s VAL 22 CO 0.08 0.50 0.09 -0.70 0.00 0.00 0.00 175.10 175.07 1m90 s GLU 23 N -0.23 0.46 -0.02 2.72 2.12 -0.83 -4.89 118.70 118.03 1m90 s GLU 23 Ca 0.15 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 1m90 s GLU 23 Cb -0.13 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1m90 s GLU 23 CO 0.04 -0.10 0.94 0.15 -0.54 0.00 0.00 175.26 175.75 1m90 s LYS 24 N -1.56 4.53 -0.17 4.30 1.02 -1.26 -0.54 119.74 126.06 1m90 s LYS 24 Ca -0.14 1.34 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 1m90 s LYS 24 Cb -0.07 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1m90 s LYS 24 CO 0.00 -0.06 2.07 0.08 -0.92 0.00 0.00 175.35 176.53 1m90 s VAL 25 N 1.07 3.11 0.03 3.17 1.01 -0.90 -4.90 120.40 122.98 1m90 s VAL 25 Ca 0.50 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1m90 s VAL 25 Cb -0.20 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1m90 s VAL 25 CO 0.26 -0.06 0.90 -0.13 0.00 0.00 0.00 175.10 176.06 1m90 s ARG 26 N 5.70 4.57 0.25 2.72 0.52 -1.26 -5.00 118.95 126.45 1m90 s ARG 26 Ca 0.93 1.29 -0.31 0.00 -0.52 0.00 0.00 55.73 57.13 1m90 s ARG 26 Cb -0.34 -3.42 -0.11 0.00 0.52 0.00 0.00 34.95 31.60 1m90 s ARG 26 CO 0.36 0.09 1.61 -1.12 0.02 0.00 0.00 175.30 176.25 1m90 s SER 27 N 0.54 6.43 0.51 0.23 0.01 -1.26 -4.99 113.70 115.17 1m90 s SER 27 Ca 0.46 2.86 -0.17 0.00 1.31 0.00 0.00 55.95 60.42 1m90 s SER 27 Cb -0.21 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.32 1m90 s SER 27 CO 0.26 -0.90 0.98 -0.83 0.41 0.00 0.00 173.24 173.17 1m90 s GLY 28 N 0.71 2.08 0.24 3.44 0.00 -1.26 -5.04 107.32 107.50 1m90 s GLY 28 Ca 0.66 0.19 -0.18 0.00 0.00 0.00 0.00 44.72 45.40 1m90 s GLY 28 CO 0.42 0.47 0.72 -1.60 0.00 0.00 0.00 173.10 173.10 1m90 s ARG 29 N -4.02 4.18 0.34 2.90 3.52 -1.26 -5.06 118.95 119.56 1m90 s ARG 29 Ca 0.59 0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 56.82 1m90 s ARG 29 Cb -0.10 -2.78 -0.09 0.00 -1.56 0.00 0.00 34.95 30.42 1m90 s ARG 29 CO 0.30 0.34 0.78 -0.65 -0.81 0.00 0.00 175.30 175.27 1m90 s GLN 30 N -2.21 4.06 0.10 5.12 -0.21 -1.26 -4.98 119.66 120.28 1m90 s GLN 30 Ca 0.45 0.77 0.19 0.00 0.02 0.00 0.00 55.36 56.80 1m90 s GLN 30 Cb -0.15 -2.39 -0.10 0.00 1.00 0.00 0.00 33.01 31.36 1m90 s GLN 30 CO 0.20 0.13 0.85 0.25 -2.12 0.00 0.00 175.29 174.60 1m90 n THR 31 N -0.39 0.92 -1.18 -0.19 -2.24 -1.26 -4.97 114.28 104.99 1m90 n THR 31 Ca 0.04 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.12 1m90 n THR 31 Cb 0.53 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1m90 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m90 n GLY 32 N 1.32 0.84 0.08 3.38 0.00 -1.26 -4.89 105.19 104.67 1m90 n GLY 32 Ca -0.07 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.35 1m90 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1m90 n MET 33 N -2.63 2.80 -1.69 1.61 2.81 -1.26 -4.79 117.12 113.96 1m90 n MET 33 Ca -0.06 -1.69 -0.30 0.00 -1.81 0.00 0.00 57.70 53.84 1m90 n MET 33 Cb 0.22 -1.09 0.06 0.00 -0.71 0.00 0.00 33.22 31.71 1m90 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1m90 s LYS 34 N -1.23 2.56 0.23 0.03 3.01 -1.26 -4.86 119.74 118.22 1m90 s LYS 34 Ca 0.06 0.62 -0.07 0.00 -1.01 0.00 0.00 55.97 55.58 1m90 s LYS 34 Cb 0.05 -1.97 0.38 0.00 -1.01 0.00 0.00 37.83 35.28 1m90 s LYS 34 CO 0.02 -1.28 1.71 2.35 0.51 0.00 0.00 175.35 178.66 1m90 h TRP 35 N -0.84 0.34 -0.78 3.18 7.01 -1.99 0.26 115.95 123.12 1m90 h TRP 35 Ca -0.46 0.04 0.06 0.00 2.11 0.00 0.00 58.89 60.64 1m90 h TRP 35 Cb 1.25 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 28.21 1m90 h TRP 35 CO 0.51 0.00 0.51 0.97 -2.79 0.00 0.00 178.44 177.65 1m90 h ILE 36 N 0.34 1.06 -0.68 2.65 6.09 -1.99 -0.39 117.51 124.60 1m90 h ILE 36 Ca 0.37 -0.30 -0.04 0.00 -1.37 0.00 0.00 64.86 63.52 1m90 h ILE 36 Cb 0.56 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 37.93 1m90 h ILE 36 CO -0.42 0.16 0.27 0.44 -3.07 0.00 0.00 178.15 175.54 1m90 h ASP 37 N 0.87 0.93 0.37 2.19 3.32 -1.28 -1.32 116.42 121.50 1m90 h ASP 37 Ca 0.33 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1m90 h ASP 37 Cb 0.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1m90 h ASP 37 CO -0.11 0.84 -0.48 0.03 -1.72 0.00 0.00 179.24 177.80 1m90 h ARG 38 N 0.96 0.13 -0.03 3.56 3.08 -0.83 -2.73 114.38 118.53 1m90 h ARG 38 Ca 0.23 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 60.04 1m90 h ARG 38 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1m90 h ARG 38 CO -0.02 0.59 -0.73 0.37 -1.07 0.00 0.00 179.97 179.11 1m90 h GLN 39 N 0.11 0.17 0.28 0.04 4.15 -0.75 -1.07 115.11 118.03 1m90 h GLN 39 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1m90 h GLN 39 Cb 0.89 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1m90 h GLN 39 CO 0.07 0.83 -0.13 -0.09 -1.93 0.00 0.00 178.83 177.57 1m90 h ARG 40 N 0.11 -0.36 0.52 1.69 2.43 -0.96 0.23 114.38 118.04 1m90 h ARG 40 Ca -0.02 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1m90 h ARG 40 Cb 1.29 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1m90 h ARG 40 CO 0.11 -0.18 -0.31 0.93 -1.51 0.00 0.00 179.97 179.01 1m90 h GLU 41 N -0.46 -0.76 -0.05 0.20 5.08 -1.49 -1.98 114.58 115.11 1m90 h GLU 41 Ca -0.04 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1m90 h GLU 41 Cb 0.35 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1m90 h GLU 41 CO 0.06 -0.50 -0.39 -0.09 -1.00 0.00 0.00 179.01 177.09 1m90 h ARG 42 N -0.79 -0.50 0.00 2.33 2.43 -1.12 -3.07 114.38 113.67 1m90 h ARG 42 Ca -0.06 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1m90 h ARG 42 Cb 0.64 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1m90 h ARG 42 CO 0.07 -0.33 0.00 0.09 -1.51 0.00 0.00 179.97 178.28 1m90 n ASN 43 N -5.44 0.00 -4.67 -3.80 4.13 0.80 -4.79 115.26 101.50 1m90 n ASN 43 Ca -0.05 0.17 -0.39 0.00 1.68 0.00 0.00 54.58 55.99 1m90 n ASN 43 Cb 0.36 -0.38 -0.06 0.00 -1.54 0.00 0.00 39.78 38.16 1m90 n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1m90 s SER 44 N -2.76 6.65 0.00 6.41 0.01 -0.75 -4.95 113.70 118.31 1m90 s SER 44 Ca 0.19 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1m90 s SER 44 Cb 0.17 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1m90 s SER 44 CO 0.42 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1m90 n GLY 45 N 3.76 5.12 3.75 3.44 0.00 -1.26 -4.97 105.19 115.03 1m90 n GLY 45 Ca -0.03 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1m90 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m90 s ILE 46 N 1.70 3.48 0.00 -0.61 1.01 -1.26 -4.83 121.20 120.69 1m90 s ILE 46 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.04 1m90 s ILE 46 Cb 0.00 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1m90 s ILE 46 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1m90 n GLY 47 N 1.53 -1.77 3.77 6.18 0.00 -1.26 -4.87 105.19 108.77 1m90 n GLY 47 Ca 0.01 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1m90 n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m90 s ASN 48 N -4.00 5.88 -0.58 1.61 2.47 -1.26 -4.93 114.94 114.13 1m90 s ASN 48 Ca 0.00 2.96 0.00 0.00 0.42 0.00 0.00 52.86 56.24 1m90 s ASN 48 Cb 0.00 -2.66 0.45 0.00 -1.45 0.00 0.00 41.25 37.59 1m90 s ASN 48 CO 0.00 -1.18 1.83 0.47 -3.72 0.00 0.00 177.10 174.51 1m90 n ASP 49 N -0.16 7.03 0.00 -4.21 8.00 -1.26 -4.85 116.55 121.11 1m90 n ASP 49 Ca 0.05 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.77 1m90 n ASP 49 Cb 0.41 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1m90 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m90 n GLY 50 N -0.86 2.44 0.40 0.44 0.00 -1.26 -0.95 105.19 105.40 1m90 n GLY 50 Ca 0.58 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.67 1m90 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1m90 h LYS 51 N 0.00 0.40 0.00 1.61 2.10 -2.00 -0.08 116.57 118.60 1m90 h LYS 51 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1m90 h LYS 51 Cb 0.00 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1m90 h LYS 51 CO 0.00 0.27 0.00 1.19 -2.00 0.00 0.00 179.45 178.91 1m90 n PHE 52 N -4.54 0.00 0.85 0.07 3.01 -0.12 -2.03 117.46 114.70 1m90 n PHE 52 Ca 0.21 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.79 1m90 n PHE 52 Cb 0.75 -0.07 0.12 0.00 -0.01 0.00 0.00 39.48 40.27 1m90 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1m90 n SER 53 N -1.07 3.09 -4.89 4.37 7.64 -0.04 -4.91 113.62 117.81 1m90 n SER 53 Ca 0.13 -1.99 -0.30 0.00 1.01 0.00 0.00 58.87 57.72 1m90 n SER 53 Cb 0.08 -0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1m90 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1m90 s LYS 54 N -1.88 2.83 0.03 1.43 1.02 -0.86 -5.01 119.74 117.29 1m90 s LYS 54 Ca 0.30 0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.72 1m90 s LYS 54 Cb 0.20 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1m90 s LYS 54 CO 0.30 -1.03 -0.07 0.14 -0.92 0.00 0.00 175.35 173.77 1m90 s VAL 55 N -3.34 0.55 0.00 3.17 -7.23 -1.26 -5.09 120.40 107.20 1m90 s VAL 55 Ca 0.58 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1m90 s VAL 55 Cb -0.11 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1m90 s VAL 55 CO 0.51 -0.17 0.00 -2.65 -0.31 0.00 0.00 175.10 172.48 1m90 n PRO 56 N 2.04 0.00 0.00 4.82 -0.02 -1.26 -4.94 135.00 135.64 1m90 n PRO 56 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1m90 n PRO 56 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1m90 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m90 n GLY 57 N 0.00 -1.30 0.00 -1.23 0.00 -1.26 -5.02 105.19 96.38 1m90 n GLY 57 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1m90 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 58 N -0.41 -0.65 2.98 -0.02 0.00 -1.26 -5.16 105.19 100.67 1m90 n GLY 58 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1m90 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m90 s ASP 59 N -4.00 -0.11 0.39 1.61 1.01 -1.26 -5.14 116.67 109.17 1m90 s ASP 59 Ca 0.00 0.21 -0.19 0.00 0.71 0.00 0.00 52.55 53.28 1m90 s ASP 59 Cb 0.00 0.21 -0.10 0.00 1.01 0.00 0.00 42.92 44.04 1m90 s ASP 59 CO 0.00 -0.04 0.87 -0.75 0.21 0.00 0.00 175.17 175.46 1m90 s LYS 60 N 0.07 4.14 0.42 8.23 2.47 -1.26 -4.96 119.74 128.85 1m90 s LYS 60 Ca -0.00 0.95 0.15 0.00 -1.56 0.00 0.00 55.97 55.51 1m90 s LYS 60 Cb -0.01 -2.28 1.03 0.00 -1.46 0.00 0.00 37.83 35.12 1m90 s LYS 60 CO 0.00 0.04 1.90 -1.00 0.16 0.00 0.00 175.35 176.46 1m90 h PRO 61 N 2.04 0.43 -3.67 4.03 0.13 -2.06 -3.41 132.00 129.49 1m90 h PRO 61 Ca -0.49 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 64.40 1m90 h PRO 61 Cb 1.18 -0.10 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 1m90 h PRO 61 CO 0.63 0.29 -0.67 0.99 -0.23 0.00 0.00 178.00 179.00 1m90 s THR 62 N -5.44 0.01 0.27 1.56 2.01 -1.26 -5.04 115.64 107.75 1m90 s THR 62 Ca -0.08 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1m90 s THR 62 Cb 0.21 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.61 1m90 s THR 62 CO 0.77 -0.06 0.38 -0.54 -0.69 0.00 0.00 174.62 174.49 1m90 s LYS 63 N -0.16 3.34 0.64 4.92 -0.14 -1.26 -4.90 119.74 122.18 1m90 s LYS 63 Ca -0.02 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 53.67 1m90 s LYS 63 Cb -0.01 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.28 1m90 s LYS 63 CO -0.00 0.33 0.99 0.15 -0.76 0.00 0.00 175.35 176.06 1m90 s LYS 64 N -4.03 2.95 -0.04 1.68 1.02 -1.26 -2.34 119.74 117.73 1m90 s LYS 64 Ca 0.37 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.32 1m90 s LYS 64 Cb -0.09 -2.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 1m90 s LYS 64 CO 0.29 -0.82 1.54 0.99 -0.92 0.00 0.00 175.35 176.43 1m90 s THR 65 N -3.16 3.63 -0.69 2.17 2.01 -0.45 -4.82 115.64 114.33 1m90 s THR 65 Ca 0.56 0.88 -0.02 0.00 0.31 0.00 0.00 61.69 63.42 1m90 s THR 65 Cb -0.11 -3.57 0.17 0.00 0.01 0.00 0.00 72.50 69.01 1m90 s THR 65 CO 0.49 -0.05 0.51 -0.62 -0.69 0.00 0.00 174.62 174.26 1m90 s ASP 66 N 2.65 5.35 0.30 3.53 2.15 -1.26 -4.03 116.67 125.37 1m90 s ASP 66 Ca 0.69 -3.10 0.11 0.00 0.43 0.00 0.00 52.55 50.67 1m90 s ASP 66 Cb -0.32 -1.85 -0.06 0.00 -0.30 0.00 0.00 42.92 40.39 1m90 s ASP 66 CO 0.27 -0.31 -0.16 -0.76 -0.17 0.00 0.00 175.17 174.04 1m90 s LEU 67 N -0.43 2.64 -0.14 -1.34 1.43 -1.26 -2.12 118.68 117.46 1m90 s LEU 67 Ca 0.20 -1.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1m90 s LEU 67 Cb -0.17 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1m90 s LEU 67 CO -0.06 -0.05 -0.18 -0.54 0.23 0.00 0.00 176.35 175.75 1m90 s LYS 68 N -3.55 2.67 -0.32 1.70 1.02 0.30 -4.53 119.74 117.03 1m90 s LYS 68 Ca 0.31 -0.72 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 1m90 s LYS 68 Cb -0.02 -2.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1m90 s LYS 68 CO 0.15 -0.11 0.15 0.71 -0.92 0.00 0.00 175.35 175.33 1m90 s TYR 69 N 1.09 3.19 -0.25 3.18 1.51 -0.79 -1.97 117.35 123.32 1m90 s TYR 69 Ca -0.02 -0.76 -0.08 0.00 -1.01 0.00 0.00 57.07 55.21 1m90 s TYR 69 Cb -0.14 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 1m90 s TYR 69 CO -0.06 -0.53 0.08 1.03 -1.11 0.00 0.00 175.55 174.96 1m90 s ARG 70 N 1.57 3.68 0.21 -0.62 0.52 -0.29 -0.44 118.95 123.58 1m90 s ARG 70 Ca 0.03 -0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 1m90 s ARG 70 Cb -0.18 -3.34 -0.11 0.00 0.52 0.00 0.00 34.95 31.84 1m90 s ARG 70 CO 0.06 -0.18 1.63 0.00 0.02 0.00 0.00 175.30 176.82 1m90 n GLY 72 N 3.47 -1.21 0.02 0.00 0.00 0.11 -2.30 105.19 105.29 1m90 n GLY 72 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1m90 n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1m90 n GLU 73 N -1.55 0.73 0.01 1.61 2.13 -1.26 -4.72 120.64 117.58 1m90 n GLU 73 Ca 0.05 0.02 0.11 0.00 0.66 0.00 0.00 57.16 58.00 1m90 n GLU 73 Cb 0.24 -1.09 0.02 0.00 0.27 0.00 0.00 31.44 30.88 1m90 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1m90 n GLY 75 N 1.46 1.09 3.77 0.00 0.00 -0.97 -5.00 105.19 105.54 1m90 n GLY 75 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1m90 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m90 s LYS 76 N -0.23 4.41 0.34 1.61 1.02 -1.26 -4.66 119.74 120.97 1m90 s LYS 76 Ca 0.00 0.94 0.07 0.00 0.02 0.00 0.00 55.97 57.00 1m90 s LYS 76 Cb 0.00 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1m90 s LYS 76 CO 0.00 0.47 0.47 0.00 -0.92 0.00 0.00 175.35 175.36 1m90 s ALA 77 N -0.64 4.24 0.06 5.17 0.00 -1.26 -2.08 121.76 127.25 1m90 s ALA 77 Ca 0.34 -1.48 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 1m90 s ALA 77 Cb -0.20 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1m90 s ALA 77 CO 0.22 -0.04 0.14 -3.38 0.00 0.00 0.00 175.76 172.69 1m90 s HIS 78 N -2.19 0.18 0.15 0.00 -3.43 0.41 -4.96 115.29 105.45 1m90 s HIS 78 Ca 0.45 -0.53 0.04 0.00 -0.80 0.00 0.00 55.06 54.22 1m90 s HIS 78 Cb -0.09 -0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1m90 s HIS 78 CO 0.31 -0.44 0.17 -0.51 -2.00 0.00 0.00 174.74 172.26 1m90 s LEU 79 N -2.44 3.94 0.11 5.38 1.43 -1.26 -1.88 118.68 123.96 1m90 s LEU 79 Ca -0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1m90 s LEU 79 Cb 0.02 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1m90 s LEU 79 CO -0.07 0.08 -0.07 -0.13 0.23 0.00 0.00 176.35 176.38 1m90 s ARG 80 N -3.03 0.88 0.56 1.70 0.52 -1.26 -5.04 118.95 113.28 1m90 s ARG 80 Ca 0.32 -1.35 -0.21 0.00 -0.52 0.00 0.00 55.73 53.97 1m90 s ARG 80 Cb -0.11 -0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.01 1m90 s ARG 80 CO 0.25 0.01 1.18 0.39 0.02 0.00 0.00 175.30 177.14 1m90 n GLU 81 N -0.05 1.32 -3.42 3.54 1.02 -1.26 -4.84 120.64 116.95 1m90 n GLU 81 Ca -0.12 0.49 -0.20 0.00 -0.02 0.00 0.00 57.16 57.31 1m90 n GLU 81 Cb 0.61 -2.37 -0.02 0.00 -0.02 0.00 0.00 31.44 29.64 1m90 n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1m90 s GLY 82 N -1.06 2.09 0.01 0.62 0.00 -1.26 -4.98 107.32 102.75 1m90 s GLY 82 Ca 0.73 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1m90 s GLY 82 CO 0.48 -1.66 -0.05 0.66 0.00 0.00 0.00 173.10 172.53 1m90 s TRP 83 N -2.47 0.45 -0.01 1.90 -2.14 -1.26 -4.68 118.94 110.73 1m90 s TRP 83 Ca 0.50 -0.23 -0.34 0.00 2.66 0.00 0.00 56.10 58.69 1m90 s TRP 83 Cb -0.05 -0.28 -0.13 0.00 -3.10 0.00 0.00 33.47 29.91 1m90 s TRP 83 CO 0.29 -0.04 1.75 0.54 -2.66 0.00 0.00 176.95 176.83 1m90 n ARG 84 N 2.45 2.07 -3.59 3.25 1.74 -1.26 -1.34 116.66 119.98 1m90 n ARG 84 Ca -0.16 0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1m90 n ARG 84 Cb 0.57 -2.56 -0.12 0.00 -1.02 0.00 0.00 32.46 29.33 1m90 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1m90 s ALA 85 N 2.80 -0.63 0.47 7.54 0.00 -0.99 -4.92 121.76 126.03 1m90 s ALA 85 Ca 0.88 0.85 0.16 0.00 0.00 0.00 0.00 51.96 53.85 1m90 s ALA 85 Cb -0.72 -1.19 1.13 0.00 0.00 0.00 0.00 23.12 22.34 1m90 s ALA 85 CO 0.47 -0.84 2.02 0.78 0.00 0.00 0.00 175.76 178.19 1m90 h GLY 86 N 8.27 0.35 -4.57 0.00 0.00 -1.93 -3.41 103.07 101.77 1m90 h GLY 86 Ca -0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1m90 h GLY 86 CO 0.18 0.07 0.01 -1.60 0.00 0.00 0.00 176.54 175.21 1m90 s ARG 87 N -5.26 0.83 -0.07 4.80 3.52 -1.26 -4.97 118.95 116.53 1m90 s ARG 87 Ca -0.07 0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1m90 s ARG 87 Cb 0.19 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 34.00 1m90 s ARG 87 CO 0.73 -0.20 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.84 1m90 s LEU 88 N -0.57 0.70 -0.03 -0.88 2.96 -1.26 0.96 118.68 120.56 1m90 s LEU 88 Ca -0.07 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1m90 s LEU 88 Cb -0.03 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 1m90 s LEU 88 CO 0.05 -0.18 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.10 1m90 s GLU 89 N 1.87 1.78 0.20 1.98 2.02 -0.61 -4.97 118.70 120.97 1m90 s GLU 89 Ca 0.04 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.22 1m90 s GLU 89 Cb -0.12 -1.62 -0.07 0.00 0.10 0.00 0.00 34.13 32.42 1m90 s GLU 89 CO -0.05 0.34 0.56 -0.06 0.02 0.00 0.00 175.26 176.07 1m90 s PHE 90 N -0.21 3.50 -0.47 1.61 0.40 -1.26 -0.90 117.98 120.64 1m90 s PHE 90 Ca 0.01 0.97 -0.16 0.00 -0.60 0.00 0.00 56.93 57.14 1m90 s PHE 90 Cb -0.10 -2.32 0.06 0.00 0.51 0.00 0.00 43.02 41.18 1m90 s PHE 90 CO 0.01 0.33 0.45 -0.65 0.70 0.00 0.00 175.22 176.06 1m90 s GLN 91 N -2.46 3.02 0.00 0.44 -0.21 0.15 -4.84 119.66 115.76 1m90 s GLN 91 Ca 0.44 -1.18 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1m90 s GLN 91 Cb -0.13 -4.10 0.00 0.00 1.00 0.00 0.00 33.01 29.78 1m90 s GLN 91 CO 0.20 -1.05 0.00 0.39 -2.12 0.00 0.00 175.29 172.71