#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g35 n LYS 2 N 0.00 -1.33 -2.72 1.96 4.01 -1.26 -4.60 118.16 114.22 2g35 n LYS 2 Ca 0.00 0.36 -0.08 0.00 -0.51 0.00 0.00 58.31 58.07 2g35 n LYS 2 Cb 0.00 -4.28 0.09 0.00 -0.51 0.00 0.00 35.03 30.33 2g35 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2g35 n THR 3 N -1.29 0.00 -3.81 -0.18 -1.04 -1.26 -4.91 114.28 101.79 2g35 n THR 3 Ca -0.05 -1.44 -0.28 0.00 -2.04 0.00 0.00 64.05 60.23 2g35 n THR 3 Cb 0.21 1.42 -0.16 0.00 -1.82 0.00 0.00 70.33 69.98 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2g35 s TYR 4 N 0.25 1.45 -0.25 -1.42 6.14 -1.26 -4.79 117.35 117.46 2g35 s TYR 4 Ca 0.22 -1.09 -0.01 0.00 0.64 0.00 0.00 57.07 56.83 2g35 s TYR 4 Cb 0.30 -1.19 0.00 0.00 0.42 0.00 0.00 41.96 41.48 2g35 s TYR 4 CO -0.06 -0.64 0.22 0.41 0.64 0.00 0.00 175.55 176.11 2g35 n GLY 5 N 4.93 0.52 3.13 8.97 0.00 -1.26 -5.06 105.19 116.42 2g35 n GLY 5 Ca -0.10 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 2g35 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g35 s VAL 6 N -3.06 1.19 -0.47 1.61 1.01 -1.26 -4.90 120.40 114.52 2g35 s VAL 6 Ca 0.07 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2g35 s VAL 6 Cb -0.03 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.40 2g35 s VAL 6 CO 0.14 0.33 0.50 -0.55 0.00 0.00 0.00 175.10 175.52 2g35 s SER 7 N -0.38 6.20 -0.23 3.32 0.15 -1.25 -4.87 113.70 116.64 2g35 s SER 7 Ca 0.06 -0.92 -0.24 0.00 0.70 0.00 0.00 55.95 55.55 2g35 s SER 7 Cb -0.06 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2g35 s SER 7 CO -0.01 -0.72 0.79 0.72 1.20 0.00 0.00 173.24 175.23 2g35 s PHE 8 N 2.22 3.33 -0.17 3.44 -0.71 -1.25 -2.21 117.98 122.62 2g35 s PHE 8 Ca 0.11 1.10 -0.08 0.00 -1.04 0.00 0.00 56.93 57.03 2g35 s PHE 8 Cb -0.20 -3.00 -0.04 0.00 -1.21 0.00 0.00 43.02 38.57 2g35 s PHE 8 CO 0.11 -0.36 0.09 -0.06 -1.34 0.00 0.00 175.22 173.66 2g35 s PHE 9 N 2.65 3.33 -0.58 3.49 0.40 -0.36 -4.70 117.98 122.21 2g35 s PHE 9 Ca 0.34 0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 56.60 2g35 s PHE 9 Cb -0.15 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.32 2g35 s PHE 9 CO 0.08 0.28 1.41 -1.17 0.70 0.00 0.00 175.22 176.52 2g35 s LEU 10 N 0.13 3.38 0.23 -0.37 0.20 -1.26 -0.97 118.68 120.02 2g35 s LEU 10 Ca 0.06 0.21 0.09 0.00 0.69 0.00 0.00 54.13 55.18 2g35 s LEU 10 Cb -0.12 -3.00 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 2g35 s LEU 10 CO 0.00 -1.73 -0.00 0.68 -0.29 0.00 0.00 176.35 175.01 2g35 s VAL 11 N 6.08 3.56 0.20 1.68 -7.23 0.24 -4.76 120.40 120.16 2g35 s VAL 11 Ca 0.51 -1.72 0.09 0.00 -1.81 0.00 0.00 61.98 59.05 2g35 s VAL 11 Cb -0.10 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 2g35 s VAL 11 CO 0.24 -0.27 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.14 2g35 s LYS 12 N -3.39 2.09 0.24 4.82 1.02 -0.61 0.13 119.74 124.03 2g35 s LYS 12 Ca 0.30 -1.32 0.08 0.00 0.02 0.00 0.00 55.97 55.05 2g35 s LYS 12 Cb -0.08 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 2g35 s LYS 12 CO 0.19 0.42 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.69 2g35 s GLU 13 N -3.02 1.45 -0.16 1.68 8.01 0.20 -0.61 118.70 126.23 2g35 s GLU 13 Ca 0.26 -1.67 -0.17 0.00 0.01 0.00 0.00 54.97 53.40 2g35 s GLU 13 Cb -0.08 -1.27 -0.04 0.00 -4.31 0.00 0.00 34.13 28.43 2g35 s GLU 13 CO 0.16 0.19 0.45 -1.59 0.01 0.00 0.00 175.26 174.48 2g35 s LYS 14 N -3.63 4.25 0.63 1.61 0.00 -1.26 0.27 119.74 121.61 2g35 s LYS 14 Ca 0.25 0.35 -0.15 0.00 0.00 0.00 0.00 55.97 56.42 2g35 s LYS 14 Cb -0.01 -3.49 -0.01 0.00 0.00 0.00 0.00 37.83 34.32 2g35 s LYS 14 CO 0.10 0.03 1.10 -1.64 0.00 0.00 0.00 175.35 174.93 2g35 s MET 15 N 1.05 2.98 0.01 1.78 -1.94 -1.25 -4.83 119.30 117.11 2g35 s MET 15 Ca 0.23 1.34 -0.02 0.00 -1.71 0.00 0.00 55.69 55.53 2g35 s MET 15 Cb -0.15 -1.98 -0.00 0.00 2.01 0.00 0.00 34.83 34.71 2g35 s MET 15 CO 0.09 -1.10 0.48 1.63 -0.01 0.00 0.00 175.02 176.12 2g35 n LYS 16 N -2.25 -0.03 0.00 2.03 4.01 -1.26 -3.85 118.16 116.81 2g35 n LYS 16 Ca 0.10 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 2g35 n LYS 16 Cb 0.52 -0.72 0.00 0.00 -0.51 0.00 0.00 35.03 34.32 2g35 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2g35 n GLY 17 N -1.02 0.88 3.71 0.72 0.00 -1.26 -5.05 105.19 103.17 2g35 n GLY 17 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2g35 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g35 s LYS 18 N -0.31 4.18 0.00 1.61 -0.14 -1.25 -4.76 119.74 119.07 2g35 s LYS 18 Ca 0.00 2.45 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 2g35 s LYS 18 Cb 0.00 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 2g35 s LYS 18 CO 0.00 -0.71 0.81 0.09 -0.76 0.00 0.00 175.35 174.78 2g35 n ASN 19 N 4.62 0.00 -3.09 2.83 5.03 -1.26 -4.29 115.26 119.10 2g35 n ASN 19 Ca 0.15 0.33 -0.16 0.00 0.87 0.00 0.00 54.58 55.77 2g35 n ASN 19 Cb 0.38 -0.33 0.14 0.00 -1.02 0.00 0.00 39.78 38.96 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2g35 n LYS 20 N -1.31 -2.51 -4.09 3.52 3.00 -1.26 -4.97 118.16 110.54 2g35 n LYS 20 Ca 0.00 -0.92 -0.09 0.00 -0.00 0.00 0.00 58.31 57.30 2g35 n LYS 20 Cb 0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 35.03 34.03 2g35 n LYS 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2g35 s LEU 21 N 0.00 2.43 -0.29 3.14 1.43 -1.26 -3.75 118.68 120.38 2g35 s LEU 21 Ca 0.38 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2g35 s LEU 21 Cb -0.04 0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.29 2g35 s LEU 21 CO 0.30 -0.48 0.03 -0.69 0.23 0.00 0.00 176.35 175.74 2g35 s VAL 22 N -3.20 3.47 0.59 -1.59 1.01 0.75 -4.82 120.40 116.60 2g35 s VAL 22 Ca 0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2g35 s VAL 22 Cb 0.03 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2g35 s VAL 22 CO -0.06 0.03 1.28 -2.65 0.00 0.00 0.00 175.10 173.70 2g35 n PRO 23 N 4.76 1.38 -3.67 2.72 -0.02 -1.26 0.58 135.00 139.50 2g35 n PRO 23 Ca -0.14 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.71 2g35 n PRO 23 Cb 0.46 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 2g35 n PRO 23 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2g35 s ARG 24 N -3.03 0.79 -0.07 -0.52 6.06 0.34 -3.95 118.95 118.57 2g35 s ARG 24 Ca 0.76 0.13 -0.01 0.00 -2.50 0.00 0.00 55.73 54.11 2g35 s ARG 24 Cb -0.41 0.37 -0.03 0.00 0.06 0.00 0.00 34.95 34.94 2g35 s ARG 24 CO 0.46 -0.21 -0.02 -0.51 -2.50 0.00 0.00 175.30 172.51 2g35 s LEU 25 N -1.00 3.45 -0.26 -0.88 1.43 0.27 0.82 118.68 122.51 2g35 s LEU 25 Ca -0.10 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2g35 s LEU 25 Cb -0.03 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.45 2g35 s LEU 25 CO 0.06 0.36 -0.07 -0.22 0.23 0.00 0.00 176.35 176.71 2g35 s LEU 26 N -0.95 3.24 -0.17 1.79 2.96 -0.15 -0.95 118.68 124.45 2g35 s LEU 26 Ca 0.14 -1.40 -0.26 0.00 -0.22 0.00 0.00 54.13 52.38 2g35 s LEU 26 Cb -0.11 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 2g35 s LEU 26 CO 0.03 -0.23 0.87 -0.83 -1.32 0.00 0.00 176.35 174.87 2g35 s GLY 27 N 1.20 2.06 -0.38 7.98 0.00 0.19 -1.22 107.32 117.15 2g35 s GLY 27 Ca -0.05 0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.60 2g35 s GLY 27 CO -0.06 1.76 0.26 -0.42 0.00 0.00 0.00 173.10 174.64 2g35 s ILE 28 N 2.30 5.10 0.59 0.90 1.09 -0.94 0.28 121.20 130.52 2g35 s ILE 28 Ca 0.40 -0.58 0.04 0.00 -1.10 0.00 0.00 60.65 59.40 2g35 s ILE 28 Cb -0.16 -3.78 0.07 0.00 -1.06 0.00 0.00 42.46 37.53 2g35 s ILE 28 CO 0.12 -0.20 0.82 -0.89 -0.10 0.00 0.00 174.94 174.68 2g35 s THR 29 N 1.66 2.41 -1.34 2.92 2.01 0.35 -3.86 115.64 119.79 2g35 s THR 29 Ca 0.05 -0.78 0.30 0.00 0.31 0.00 0.00 61.69 61.57 2g35 s THR 29 Cb -0.19 -2.63 0.45 0.00 0.01 0.00 0.00 72.50 70.14 2g35 s THR 29 CO 0.09 0.00 2.01 2.29 -0.69 0.00 0.00 174.62 178.32 2g35 n LYS 30 N -2.41 0.34 0.00 4.92 2.85 -1.26 -3.71 118.16 118.90 2g35 n LYS 30 Ca 0.12 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2g35 n LYS 30 Cb 0.60 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 2g35 n LYS 30 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2g35 n GLU 31 N -1.32 0.01 -3.57 -1.58 1.02 -1.26 -4.66 120.64 109.29 2g35 n GLU 31 Ca 0.13 -0.21 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 2g35 n GLU 31 Cb 0.27 -0.51 -0.02 0.00 -0.02 0.00 0.00 31.44 31.15 2g35 n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g35 s VAL 33 N -2.61 4.55 -0.14 0.00 1.01 0.29 0.13 120.40 123.63 2g35 s VAL 33 Ca 0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2g35 s VAL 33 Cb -0.01 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2g35 s VAL 33 CO -0.06 0.52 0.10 -0.04 0.00 0.00 0.00 175.10 175.62 2g35 s MET 34 N -0.06 3.57 -0.22 2.72 1.00 0.80 -0.30 119.30 126.81 2g35 s MET 34 Ca 0.05 -0.24 -0.17 0.00 0.00 0.00 0.00 55.69 55.33 2g35 s MET 34 Cb -0.12 -3.15 -0.03 0.00 0.00 0.00 0.00 34.83 31.52 2g35 s MET 34 CO 0.01 0.59 0.46 1.03 0.00 0.00 0.00 175.02 177.12 2g35 s ARG 35 N -0.52 4.14 -0.05 2.03 0.52 0.87 -0.63 118.95 125.31 2g35 s ARG 35 Ca 0.11 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.62 2g35 s ARG 35 Cb -0.12 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.79 2g35 s ARG 35 CO 0.02 -0.17 -0.06 0.08 0.02 0.00 0.00 175.30 175.19 2g35 s VAL 36 N 1.71 0.66 0.46 3.52 1.01 -0.12 0.10 120.40 127.75 2g35 s VAL 36 Ca 0.21 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 2g35 s VAL 36 Cb -0.15 -0.66 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 2g35 s VAL 36 CO 0.09 0.25 1.05 -0.62 0.00 0.00 0.00 175.10 175.87 2g35 s ASP 37 N 0.86 6.43 0.17 3.32 -1.08 -0.56 0.94 116.67 126.77 2g35 s ASP 37 Ca -0.12 1.98 0.21 0.00 -0.52 0.00 0.00 52.55 54.10 2g35 s ASP 37 Cb -0.15 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 2g35 s ASP 37 CO 0.01 -0.72 1.01 -0.08 0.52 0.00 0.00 175.17 175.91 2g35 h GLU 38 N 1.83 0.00 0.06 4.34 4.22 -1.86 0.81 114.58 123.98 2g35 h GLU 38 Ca -0.49 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.95 2g35 h GLU 38 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2g35 h GLU 38 CO 0.60 0.09 -0.03 -0.22 -2.18 0.00 0.00 179.01 177.27 2g35 h LYS 39 N 0.00 -0.08 -0.01 1.92 3.64 -1.92 -3.34 116.57 116.78 2g35 h LYS 39 Ca -0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2g35 h LYS 39 Cb 1.18 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2g35 h LYS 39 CO 0.01 0.50 -0.47 0.25 -2.27 0.00 0.00 179.45 177.47 2g35 n THR 40 N -4.82 0.00 -1.78 1.00 -2.24 -1.26 -4.94 114.28 100.25 2g35 n THR 40 Ca -0.08 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2g35 n THR 40 Cb 0.31 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 2g35 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g35 n LYS 41 N -0.09 -1.64 -3.89 -0.78 5.02 0.28 -4.91 118.16 112.15 2g35 n LYS 41 Ca 0.09 0.67 -0.21 0.00 -2.02 0.00 0.00 58.31 56.83 2g35 n LYS 41 Cb 0.44 -5.04 -0.03 0.00 -0.02 0.00 0.00 35.03 30.38 2g35 n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2g35 s GLU 42 N -3.81 2.88 -0.12 1.97 2.56 -1.24 -4.84 118.70 116.11 2g35 s GLU 42 Ca 0.00 -1.15 -0.25 0.00 0.00 0.00 0.00 54.97 53.57 2g35 s GLU 42 Cb 0.00 -2.57 -0.02 0.00 2.00 0.00 0.00 34.13 33.54 2g35 s GLU 42 CO 0.00 0.21 0.81 0.08 -0.56 0.00 0.00 175.26 175.80 2g35 s VAL 43 N -2.21 4.93 -0.17 3.70 1.01 -1.26 -1.49 120.40 124.91 2g35 s VAL 43 Ca 0.38 1.63 0.18 0.00 0.00 0.00 0.00 61.98 64.17 2g35 s VAL 43 Cb -0.07 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.93 2g35 s VAL 43 CO 0.27 0.11 0.12 -0.38 0.00 0.00 0.00 175.10 175.22 2g35 n ILE 44 N 4.34 1.14 -3.64 2.22 2.08 0.29 -4.95 119.36 120.84 2g35 n ILE 44 Ca 0.03 -0.77 -0.04 0.00 0.56 0.00 0.00 62.75 62.53 2g35 n ILE 44 Cb 0.50 -0.41 -0.01 0.00 -0.75 0.00 0.00 39.64 38.96 2g35 n ILE 44 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2g35 s GLN 45 N -2.60 0.79 0.10 0.38 0.74 -1.12 -4.95 119.66 112.99 2g35 s GLN 45 Ca -0.09 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 54.95 2g35 s GLN 45 Cb 0.07 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 2g35 s GLN 45 CO 0.80 -0.36 -0.07 -1.21 -0.55 0.00 0.00 175.29 173.90 2g35 s GLU 46 N -2.92 0.82 0.03 1.67 2.02 -1.26 0.30 118.70 119.37 2g35 s GLU 46 Ca 0.11 -1.28 -0.00 0.00 0.02 0.00 0.00 54.97 53.82 2g35 s GLU 46 Cb 0.00 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.94 2g35 s GLU 46 CO -0.03 0.00 -0.03 -1.58 0.02 0.00 0.00 175.26 173.64 2g35 s TRP 47 N -3.30 0.37 0.05 1.61 0.52 0.58 -4.94 118.94 113.83 2g35 s TRP 47 Ca 0.10 -0.72 -0.22 0.00 0.02 0.00 0.00 56.10 55.27 2g35 s TRP 47 Cb 0.03 -0.27 -0.06 0.00 -1.15 0.00 0.00 33.47 32.02 2g35 s TRP 47 CO -0.04 -0.25 0.67 -1.12 0.02 0.00 0.00 176.95 176.23 2g35 s SER 48 N -2.00 7.13 0.22 2.95 0.01 -1.26 -0.55 113.70 120.20 2g35 s SER 48 Ca -0.07 1.34 -0.06 0.00 1.31 0.00 0.00 55.95 58.47 2g35 s SER 48 Cb -0.03 -2.42 0.19 0.00 0.21 0.00 0.00 66.02 63.97 2g35 s SER 48 CO -0.04 0.12 1.71 -0.07 0.41 0.00 0.00 173.24 175.37 2g35 h LEU 49 N 5.26 0.95 0.00 2.44 3.38 -1.76 -1.11 115.31 124.47 2g35 h LEU 49 Ca -0.46 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2g35 h LEU 49 Cb 1.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2g35 h LEU 49 CO 0.68 0.97 0.00 0.41 0.09 0.00 0.00 178.44 180.60 2g35 n THR 50 N -4.21 0.76 0.03 0.22 -1.04 -1.26 -2.11 114.28 106.67 2g35 n THR 50 Ca 0.04 0.19 -0.20 0.00 -2.04 0.00 0.00 64.05 62.04 2g35 n THR 50 Cb 0.30 -1.04 -0.14 0.00 -1.82 0.00 0.00 70.33 67.63 2g35 n THR 50 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 2g35 h ASN 51 N 0.00 0.43 -1.76 8.00 -1.24 -1.59 -3.45 115.58 115.96 2g35 h ASN 51 Ca 0.00 -0.77 -0.64 0.00 0.71 0.00 0.00 56.30 55.59 2g35 h ASN 51 Cb 0.08 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.00 2g35 h ASN 51 CO 0.00 1.68 1.18 -0.38 -1.29 0.00 0.00 177.43 178.62 2g35 n ILE 52 N -3.46 0.44 -0.04 2.57 5.41 -0.90 -4.51 119.36 118.87 2g35 n ILE 52 Ca -0.25 -0.17 -0.17 0.00 1.00 0.00 0.00 62.75 63.16 2g35 n ILE 52 Cb 1.06 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 38.04 2g35 n ILE 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2g35 h LYS 53 N 10.22 0.09 -3.56 0.38 3.64 0.15 -3.49 116.57 124.01 2g35 h LYS 53 Ca -0.43 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 58.65 2g35 h LYS 53 Cb 1.29 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 2g35 h LYS 53 CO 0.97 1.07 0.04 -0.98 -2.27 0.00 0.00 179.45 178.28 2g35 s ARG 54 N -2.31 2.06 0.28 1.90 1.70 -1.22 -4.99 118.95 116.38 2g35 s ARG 54 Ca -0.19 -1.59 -0.18 0.00 -0.47 0.00 0.00 55.73 53.30 2g35 s ARG 54 Cb -0.00 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 2g35 s ARG 54 CO 0.72 -0.91 0.66 1.67 -1.08 0.00 0.00 175.30 176.35 2g35 s TRP 55 N -2.72 0.00 -0.18 5.89 -2.14 -1.26 -1.26 118.94 117.28 2g35 s TRP 55 Ca 0.23 -0.45 -0.04 0.00 2.66 0.00 0.00 56.10 58.50 2g35 s TRP 55 Cb -0.03 0.57 0.09 0.00 -3.10 0.00 0.00 33.47 31.00 2g35 s TRP 55 CO 0.16 -1.20 0.28 0.00 -2.66 0.00 0.00 176.95 173.53 2g35 s ALA 56 N -3.80 -0.59 -0.34 2.67 0.00 -0.04 -4.97 121.76 114.69 2g35 s ALA 56 Ca 0.15 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 2g35 s ALA 56 Cb -0.04 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2g35 s ALA 56 CO 0.08 -0.96 0.29 0.00 0.00 0.00 0.00 175.76 175.17 2g35 s ALA 57 N 2.42 3.50 0.22 0.00 0.00 -1.26 -1.61 121.76 125.04 2g35 s ALA 57 Ca 0.05 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.74 2g35 s ALA 57 Cb -0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2g35 s ALA 57 CO -0.11 -1.02 0.35 -1.12 0.00 0.00 0.00 175.76 173.86 2g35 s SER 58 N 1.73 6.33 0.00 0.00 0.01 0.13 -4.83 113.70 117.06 2g35 s SER 58 Ca 0.08 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2g35 s SER 58 Cb -0.17 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2g35 s SER 58 CO 0.11 -0.05 0.14 -0.81 0.41 0.00 0.00 173.24 173.04 2g35 n PRO 59 N -1.20 0.00 0.00 12.44 -0.04 -1.26 -2.61 135.00 142.33 2g35 n PRO 59 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2g35 n PRO 59 Cb 0.56 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2g35 n PRO 59 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2g35 n LYS 60 N -0.63 2.63 -4.15 0.54 2.85 -1.24 -4.81 118.16 113.35 2g35 n LYS 60 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2g35 n LYS 60 Cb 0.00 -0.32 -0.10 0.00 -0.65 0.00 0.00 35.03 33.96 2g35 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2g35 s SER 61 N -0.31 0.44 -0.01 -5.58 0.15 -1.07 0.27 113.70 107.59 2g35 s SER 61 Ca 0.00 -1.17 0.06 0.00 0.70 0.00 0.00 55.95 55.54 2g35 s SER 61 Cb 0.00 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 2g35 s SER 61 CO 0.00 -0.69 -0.19 0.12 1.20 0.00 0.00 173.24 173.68 2g35 s PHE 62 N -3.98 1.70 -0.01 3.44 5.36 -0.68 0.17 117.98 123.98 2g35 s PHE 62 Ca 0.21 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 2g35 s PHE 62 Cb 0.07 -1.09 -0.00 0.00 -0.34 0.00 0.00 43.02 41.66 2g35 s PHE 62 CO -0.00 -0.02 -0.09 0.99 -1.46 0.00 0.00 175.22 174.64 2g35 s THR 63 N -0.48 0.75 0.13 0.12 2.01 -0.63 -1.98 115.64 115.55 2g35 s THR 63 Ca 0.07 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2g35 s THR 63 Cb -0.07 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2g35 s THR 63 CO -0.00 0.22 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.54 2g35 s LEU 64 N -0.10 2.44 -0.10 4.42 2.34 -0.88 -0.86 118.68 125.95 2g35 s LEU 64 Ca 0.02 -0.87 -0.00 0.00 0.06 0.00 0.00 54.13 53.33 2g35 s LEU 64 Cb -0.05 -0.44 0.02 0.00 -0.56 0.00 0.00 46.19 45.16 2g35 s LEU 64 CO -0.00 -0.22 -0.07 -1.81 -1.06 0.00 0.00 176.35 173.19 2g35 s ASP 65 N -2.67 2.01 0.00 1.48 1.11 -0.39 -2.16 116.67 116.05 2g35 s ASP 65 Ca 0.11 -0.27 0.27 0.00 0.18 0.00 0.00 52.55 52.85 2g35 s ASP 65 Cb -0.02 -0.77 0.95 0.00 1.07 0.00 0.00 42.92 44.15 2g35 s ASP 65 CO 0.02 -0.11 1.69 0.49 1.18 0.00 0.00 175.17 178.43 2g35 n PHE 66 N 4.83 0.00 -0.62 4.23 3.72 -1.26 0.18 117.46 128.53 2g35 n PHE 66 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2g35 n PHE 66 Cb 0.50 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 2g35 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g35 n GLY 67 N 1.24 1.44 3.52 1.37 0.00 -1.26 -4.66 105.19 106.83 2g35 n GLY 67 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2g35 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g35 s ASP 68 N -3.22 6.44 0.35 1.61 1.11 -1.26 -4.83 116.67 116.87 2g35 s ASP 68 Ca 0.00 -1.39 0.14 0.00 0.18 0.00 0.00 52.55 51.48 2g35 s ASP 68 Cb 0.00 -2.51 1.00 0.00 1.07 0.00 0.00 42.92 42.48 2g35 s ASP 68 CO 0.00 -1.44 1.73 0.22 1.18 0.00 0.00 175.17 176.86 2g35 h TYR 69 N 9.56 0.87 0.00 4.23 3.20 -1.93 0.52 116.97 133.42 2g35 h TYR 69 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2g35 h TYR 69 Cb 1.03 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2g35 h TYR 69 CO 1.19 0.03 0.00 0.94 -1.64 0.00 0.00 178.16 178.68 2g35 n GLN 70 N -4.81 0.00 -0.01 1.82 -0.06 -1.26 -2.36 117.38 110.70 2g35 n GLN 70 Ca 0.27 0.42 0.18 0.00 -2.00 0.00 0.00 57.00 55.88 2g35 n GLN 70 Cb 0.84 -1.32 0.64 0.00 -4.06 0.00 0.00 30.24 26.34 2g35 n GLN 70 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2g35 h ASP 71 N 0.00 0.09 -3.55 1.69 1.82 -1.84 -3.47 116.42 111.15 2g35 h ASP 71 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2g35 h ASP 71 Cb 0.00 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 39.99 2g35 h ASP 71 CO 0.00 0.05 -0.01 0.61 -1.61 0.00 0.00 179.24 178.28 2g35 n GLY 72 N -1.61 -1.95 3.83 -0.78 0.00 0.18 -4.87 105.19 99.99 2g35 n GLY 72 Ca 0.10 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2g35 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g35 s TYR 73 N -0.12 2.99 -0.23 1.61 2.02 -1.26 -4.63 117.35 117.73 2g35 s TYR 73 Ca 0.00 1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.82 2g35 s TYR 73 Cb 0.00 -3.10 0.07 0.00 -0.40 0.00 0.00 41.96 38.53 2g35 s TYR 73 CO 0.00 -1.57 0.03 -0.47 -1.57 0.00 0.00 175.55 171.97 2g35 s TYR 74 N -3.21 1.52 0.14 2.71 5.04 -0.92 -5.01 117.35 117.62 2g35 s TYR 74 Ca 0.60 -1.27 0.05 0.00 -2.44 0.00 0.00 57.07 54.01 2g35 s TYR 74 Cb -0.13 -1.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.82 2g35 s TYR 74 CO 0.53 -0.71 -0.12 0.45 -1.34 0.00 0.00 175.55 174.36 2g35 s SER 75 N 1.69 1.96 0.28 4.32 0.15 -1.26 -2.07 113.70 118.77 2g35 s SER 75 Ca 0.00 -0.91 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 2g35 s SER 75 Cb -0.18 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2g35 s SER 75 CO -0.11 -0.22 0.51 0.68 1.20 0.00 0.00 173.24 175.29 2g35 s VAL 76 N -2.69 0.00 0.23 4.45 -7.23 -0.84 -5.00 120.40 109.32 2g35 s VAL 76 Ca 0.13 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2g35 s VAL 76 Cb -0.02 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 2g35 s VAL 76 CO 0.02 0.00 1.00 -1.10 -0.31 0.00 0.00 175.10 174.72 2g35 s GLN 77 N -3.68 4.76 -0.18 4.82 -0.21 0.21 -1.69 119.66 123.68 2g35 s GLN 77 Ca 0.23 1.59 -0.05 0.00 0.02 0.00 0.00 55.36 57.15 2g35 s GLN 77 Cb -0.01 -3.27 0.09 0.00 1.00 0.00 0.00 33.01 30.82 2g35 s GLN 77 CO 0.11 0.36 0.36 0.95 -2.12 0.00 0.00 175.29 174.95 2g35 s THR 78 N -0.94 -0.56 0.04 -0.19 -4.23 0.77 -1.58 115.64 108.94 2g35 s THR 78 Ca 0.43 0.15 0.32 0.00 -1.18 0.00 0.00 61.69 61.42 2g35 s THR 78 Cb -0.28 -0.62 0.36 0.00 1.34 0.00 0.00 72.50 73.30 2g35 s THR 78 CO 0.34 0.04 1.97 0.74 -0.54 0.00 0.00 174.62 177.17 2g35 h THR 79 N 6.21 0.00 -0.49 3.99 2.02 -1.86 -2.96 112.91 119.82 2g35 h THR 79 Ca -0.16 -0.33 -0.33 0.00 0.77 0.00 0.00 66.41 66.37 2g35 h THR 79 Cb 1.12 1.23 -0.40 0.00 -1.74 0.00 0.00 68.15 68.36 2g35 h THR 79 CO 0.15 0.00 -1.00 -0.62 0.37 0.00 0.00 175.52 174.42 2g35 n GLU 80 N -2.83 2.22 0.19 6.66 1.02 -1.26 -4.75 120.64 121.88 2g35 n GLU 80 Ca 0.00 -3.62 0.06 0.00 -0.02 0.00 0.00 57.16 53.58 2g35 n GLU 80 Cb 0.23 -1.72 0.32 0.00 -0.02 0.00 0.00 31.44 30.25 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2g35 h GLY 81 N 2.32 0.00 0.30 0.62 0.00 -1.72 -0.04 103.07 104.54 2g35 h GLY 81 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2g35 h GLY 81 CO 0.35 0.00 -0.11 -2.09 0.00 0.00 0.00 176.54 174.69 2g35 h GLU 82 N 0.00 -0.31 -0.66 4.80 4.81 -1.88 -2.54 114.58 118.80 2g35 h GLU 82 Ca 0.00 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2g35 h GLU 82 Cb 0.83 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.20 2g35 h GLU 82 CO 0.00 -0.06 0.25 1.96 -0.73 0.00 0.00 179.01 180.43 2g35 h GLN 83 N -1.03 0.40 -0.48 1.92 4.20 -1.42 1.32 115.11 120.03 2g35 h GLN 83 Ca -0.03 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.79 2g35 h GLN 83 Cb 0.39 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2g35 h GLN 83 CO 0.05 0.27 0.35 0.82 -0.67 0.00 0.00 178.83 179.65 2g35 h ILE 84 N 0.42 0.76 0.00 2.54 2.04 -1.53 1.01 117.51 122.74 2g35 h ILE 84 Ca 0.35 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.04 2g35 h ILE 84 Cb 0.47 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2g35 h ILE 84 CO -0.35 0.00 -1.01 0.00 0.00 0.00 0.00 178.15 176.79 2g35 h ALA 85 N 1.76 0.61 0.21 1.87 0.00 0.19 -2.55 119.26 121.34 2g35 h ALA 85 Ca 0.23 -0.78 -0.33 0.00 0.00 0.00 0.00 54.91 54.03 2g35 h ALA 85 Cb 0.92 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.81 2g35 h ALA 85 CO -0.00 0.95 -1.48 0.37 0.00 0.00 0.00 179.25 179.09 2g35 h GLN 86 N 0.00 0.45 -0.35 0.00 4.15 0.49 0.22 115.11 120.08 2g35 h GLN 86 Ca -0.08 -0.78 -0.16 0.00 0.77 0.00 0.00 58.65 58.40 2g35 h GLN 86 Cb 1.60 0.29 -0.00 0.00 0.21 0.00 0.00 27.48 29.57 2g35 h GLN 86 CO 0.08 1.37 -0.39 1.25 -1.93 0.00 0.00 178.83 179.20 2g35 h LEU 87 N 0.12 0.95 0.10 -2.39 5.85 0.65 -1.84 115.31 118.76 2g35 h LEU 87 Ca -0.24 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 2g35 h LEU 87 Cb 2.12 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2g35 h LEU 87 CO 0.24 1.24 -0.05 0.40 -0.34 0.00 0.00 178.44 179.93 2g35 h ILE 88 N 0.69 1.11 0.00 4.05 2.04 -1.52 -2.48 117.51 121.39 2g35 h ILE 88 Ca 0.05 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2g35 h ILE 88 Cb 0.98 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2g35 h ILE 88 CO 0.09 0.28 0.25 0.00 0.00 0.00 0.00 178.15 178.78 2g35 h ALA 89 N -0.00 1.21 0.00 1.87 0.00 -0.57 0.27 119.26 122.04 2g35 h ALA 89 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2g35 h ALA 89 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2g35 h ALA 89 CO 0.02 -0.21 -1.57 0.78 0.00 0.00 0.00 179.25 178.27 2g35 h GLY 90 N 0.00 0.00 1.58 0.00 0.00 -1.04 -3.36 103.07 100.25 2g35 h GLY 90 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2g35 h GLY 90 CO 0.00 0.00 -1.28 -0.97 0.00 0.00 0.00 176.54 174.29 2g35 h TYR 91 N 0.00 0.50 -0.03 5.60 0.05 -0.04 -3.19 116.97 119.86 2g35 h TYR 91 Ca -0.23 -0.37 0.01 0.00 0.05 0.00 0.00 58.73 58.19 2g35 h TYR 91 Cb 1.88 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 39.60 2g35 h TYR 91 CO 0.00 1.30 0.06 0.82 -1.05 0.00 0.00 178.16 179.29 2g35 h ILE 92 N 0.08 0.28 0.00 -2.88 2.04 -1.51 0.84 117.51 116.36 2g35 h ILE 92 Ca -0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2g35 h ILE 92 Cb 1.98 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2g35 h ILE 92 CO 0.20 0.00 -0.68 0.44 0.00 0.00 0.00 178.15 178.11 2g35 h ASP 93 N 0.00 0.00 1.21 1.72 5.19 -1.69 -3.21 116.42 119.63 2g35 h ASP 93 Ca 0.02 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 2g35 h ASP 93 Cb 0.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2g35 h ASP 93 CO -0.00 0.25 -0.82 0.40 -3.12 0.00 0.00 179.24 175.96 2g35 h ILE 94 N 0.00 0.22 0.00 0.35 2.04 -0.90 -3.12 117.51 116.10 2g35 h ILE 94 Ca -0.03 -1.38 -0.11 0.00 1.00 0.00 0.00 64.86 64.34 2g35 h ILE 94 Cb 1.22 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 2g35 h ILE 94 CO 0.03 0.13 -0.82 0.16 0.00 0.00 0.00 178.15 177.65 2g35 h ILE 95 N 0.00 0.60 0.00 -0.67 3.07 -1.49 -3.28 117.51 115.73 2g35 h ILE 95 Ca -0.04 -1.95 -0.13 0.00 1.55 0.00 0.00 64.86 64.30 2g35 h ILE 95 Cb 1.18 2.18 -0.02 0.00 -0.27 0.00 0.00 36.82 39.89 2g35 h ILE 95 CO 0.02 0.34 -0.74 -0.07 -1.05 0.00 0.00 178.15 176.65 2g35 h LEU 96 N 0.00 0.00 -1.97 0.16 3.38 -1.62 -3.26 115.31 111.99 2g35 h LEU 96 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2g35 h LEU 96 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 2g35 h LEU 96 CO 0.05 0.55 -0.10 0.07 0.09 0.00 0.00 178.44 179.11 2g35 h LYS 97 N 0.00 0.00 -0.70 1.13 5.09 -1.60 -1.89 116.57 118.61 2g35 h LYS 97 Ca -0.04 0.00 0.17 0.00 0.09 0.00 0.00 60.65 60.87 2g35 h LYS 97 Cb 1.46 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.75 2g35 h LYS 97 CO 0.07 0.10 0.48 0.87 -2.09 0.00 0.00 179.45 178.87 2g35 h LYS 98 N 0.00 0.18 0.00 0.07 1.57 -1.72 0.42 116.57 117.09 2g35 h LYS 98 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2g35 h LYS 98 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2g35 h LYS 98 CO 0.01 0.12 0.06 1.63 -0.57 0.00 0.00 179.45 180.70 2g35 n LYS 99 N -4.41 0.00 0.00 3.15 5.02 -0.71 -5.20 118.16 116.01 2g35 n LYS 99 Ca 0.14 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2g35 n LYS 99 Cb 0.64 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2g35 n LYS 99 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05