#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 -1.30 -2.70 3.23 4.01 -1.26 -4.66 118.16 115.48 2g35 n LYS 2 Ca 0.00 0.52 -0.06 0.00 -0.51 0.00 0.00 58.31 58.25 2g35 n LYS 2 Cb 0.00 -4.60 0.08 0.00 -0.51 0.00 0.00 35.03 30.00 2g35 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2g35 n THR 3 N -1.54 0.51 -3.70 -0.18 5.66 -1.26 -4.78 114.28 108.99 2g35 n THR 3 Ca -0.08 -2.17 -0.11 0.00 -3.05 0.00 0.00 64.05 58.64 2g35 n THR 3 Cb 0.30 0.91 -0.11 0.00 -1.55 0.00 0.00 70.33 69.88 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2g35 s TYR 4 N -1.48 -0.56 0.00 1.09 6.14 -1.26 -4.84 117.35 116.43 2g35 s TYR 4 Ca 0.23 1.21 0.00 0.00 0.64 0.00 0.00 57.07 59.14 2g35 s TYR 4 Cb 0.42 0.23 0.00 0.00 0.42 0.00 0.00 41.96 43.03 2g35 s TYR 4 CO -0.04 -0.33 0.00 0.41 0.64 0.00 0.00 175.55 176.23 2g35 n GLY 5 N 4.27 0.78 3.69 8.97 0.00 -1.26 -5.03 105.19 116.61 2g35 n GLY 5 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.93 4.46 -0.48 1.61 1.01 -1.26 -4.93 120.40 117.88 2g35 s VAL 6 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 2g35 s VAL 6 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.51 2g35 s VAL 6 CO 0.00 0.58 0.80 -0.44 0.00 0.00 0.00 175.10 176.04 2g35 s SER 7 N -0.68 6.36 0.45 3.32 0.01 -1.24 -4.86 113.70 117.05 2g35 s SER 7 Ca 0.11 -0.30 -0.12 0.00 1.31 0.00 0.00 55.95 56.96 2g35 s SER 7 Cb -0.12 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 2g35 s SER 7 CO 0.02 -0.99 0.84 -0.36 0.41 0.00 0.00 173.24 173.17 2g35 s PHE 8 N 3.35 3.48 -0.01 2.43 0.40 -1.26 -2.07 117.98 124.29 2g35 s PHE 8 Ca 0.28 1.15 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 2g35 s PHE 8 Cb -0.13 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.87 2g35 s PHE 8 CO 0.20 -0.22 -0.01 -0.06 0.70 0.00 0.00 175.22 175.83 2g35 s PHE 9 N -2.50 0.24 -0.60 0.36 0.40 -0.57 -4.81 117.98 110.50 2g35 s PHE 9 Ca 0.53 -0.01 -0.28 0.00 -0.60 0.00 0.00 56.93 56.57 2g35 s PHE 9 Cb -0.10 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.19 2g35 s PHE 9 CO 0.33 -0.06 1.37 -1.17 0.70 0.00 0.00 175.22 176.40 2g35 s LEU 10 N 0.43 3.36 0.12 -0.37 2.96 -1.26 -1.32 118.68 122.59 2g35 s LEU 10 Ca -0.04 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 2g35 s LEU 10 Cb -0.07 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 2g35 s LEU 10 CO -0.01 -1.73 -0.16 0.68 -1.32 0.00 0.00 176.35 173.81 2g35 s VAL 11 N 5.95 2.98 0.02 1.68 -7.23 0.10 -4.76 120.40 119.14 2g35 s VAL 11 Ca 0.48 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2g35 s VAL 11 Cb -0.10 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2g35 s VAL 11 CO 0.23 0.08 0.01 -0.54 -0.31 0.00 0.00 175.10 174.57 2g35 s LYS 12 N -2.23 2.78 0.30 4.82 1.02 -1.21 0.14 119.74 125.37 2g35 s LYS 12 Ca 0.19 -0.64 0.09 0.00 0.02 0.00 0.00 55.97 55.64 2g35 s LYS 12 Cb -0.10 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2g35 s LYS 12 CO 0.11 0.61 -0.00 -1.21 -0.92 0.00 0.00 175.35 173.94 2g35 s GLU 13 N -1.74 2.17 -0.23 1.68 0.41 0.44 -2.42 118.70 119.01 2g35 s GLU 13 Ca 0.21 -1.57 -0.08 0.00 -0.41 0.00 0.00 54.97 53.12 2g35 s GLU 13 Cb -0.12 -2.05 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 2g35 s GLU 13 CO 0.12 0.26 0.09 0.15 -0.49 0.00 0.00 175.26 175.39 2g35 s LYS 14 N -3.69 3.80 0.59 1.61 -0.14 -1.26 0.20 119.74 120.86 2g35 s LYS 14 Ca 0.33 -0.41 -0.17 0.00 -1.36 0.00 0.00 55.97 54.36 2g35 s LYS 14 Cb -0.04 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 2g35 s LYS 14 CO 0.20 -0.05 1.12 -1.64 -0.76 0.00 0.00 175.35 174.21 2g35 s MET 15 N 1.27 3.13 0.00 1.68 -1.94 -1.26 -4.85 119.30 117.33 2g35 s MET 15 Ca 0.05 1.50 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 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 0.04 -1.01 0.00 1.63 -0.01 0.00 0.00 175.02 175.68 2g35 n LYS 16 N -1.78 0.00 0.00 2.03 4.01 -1.26 -3.02 118.16 118.14 2g35 n LYS 16 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2g35 n LYS 16 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 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 -0.40 0.42 3.65 0.72 0.00 -1.26 -5.06 105.19 103.25 2g35 n GLY 17 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2g35 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g35 n LYS 18 N -0.19 1.47 0.00 1.61 4.76 -1.17 -4.70 118.16 119.94 2g35 n LYS 18 Ca 0.00 0.53 0.01 0.00 -2.87 0.00 0.00 58.31 55.99 2g35 n LYS 18 Cb 0.00 -2.24 0.08 0.00 -1.84 0.00 0.00 35.03 31.03 2g35 n LYS 18 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2g35 n ASN 19 N 4.03 0.00 -3.02 4.39 3.02 -1.26 -4.29 115.26 118.12 2g35 n ASN 19 Ca 0.21 0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.66 2g35 n ASN 19 Cb 0.20 -0.11 0.12 0.00 -0.61 0.00 0.00 39.78 39.39 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2g35 n LYS 20 N -1.11 -2.42 -4.06 3.52 3.00 -1.26 -5.02 118.16 110.82 2g35 n LYS 20 Ca 0.02 -0.76 -0.07 0.00 -0.00 0.00 0.00 58.31 57.49 2g35 n LYS 20 Cb 0.01 -0.79 -0.10 0.00 0.00 0.00 0.00 35.03 34.16 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 2.38 -0.17 3.14 1.43 -1.26 -4.30 118.68 119.90 2g35 s LEU 21 Ca 0.32 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2g35 s LEU 21 Cb -0.04 0.24 0.04 0.00 0.03 0.00 0.00 46.19 46.46 2g35 s LEU 21 CO 0.25 -0.56 -0.09 -0.69 0.23 0.00 0.00 176.35 175.49 2g35 s VAL 22 N -3.54 1.37 0.54 -1.59 1.01 0.54 -4.84 120.40 113.88 2g35 s VAL 22 Ca 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2g35 s VAL 22 Cb 0.05 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 2g35 s VAL 22 CO -0.09 0.21 1.17 -2.65 0.00 0.00 0.00 175.10 173.74 2g35 n PRO 23 N 4.80 1.36 -3.64 2.72 -0.02 -1.26 0.17 135.00 139.12 2g35 n PRO 23 Ca -0.14 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 2g35 n PRO 23 Cb 0.48 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.69 0.90 -0.07 -0.52 6.06 0.38 -4.14 118.95 118.87 2g35 s ARG 24 Ca 0.72 -0.14 -0.02 0.00 -2.50 0.00 0.00 55.73 53.79 2g35 s ARG 24 Cb -0.44 0.41 -0.03 0.00 0.06 0.00 0.00 34.95 34.94 2g35 s ARG 24 CO 0.50 -0.29 0.01 -0.51 -2.50 0.00 0.00 175.30 172.51 2g35 s LEU 25 N -1.60 3.62 -0.24 -0.88 1.43 0.77 0.01 118.68 121.80 2g35 s LEU 25 Ca -0.09 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2g35 s LEU 25 Cb -0.02 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2g35 s LEU 25 CO 0.03 0.36 -0.05 -0.22 0.23 0.00 0.00 176.35 176.70 2g35 s LEU 26 N -1.01 2.73 -0.07 1.79 2.96 -0.44 0.16 118.68 124.80 2g35 s LEU 26 Ca 0.14 -1.25 -0.21 0.00 -0.22 0.00 0.00 54.13 52.60 2g35 s LEU 26 Cb -0.11 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2g35 s LEU 26 CO 0.04 -0.24 0.61 -0.83 -1.32 0.00 0.00 176.35 174.60 2g35 s GLY 27 N 1.35 2.55 -0.30 7.98 0.00 -0.82 -1.51 107.32 116.57 2g35 s GLY 27 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.65 2g35 s GLY 27 CO -0.07 0.96 0.02 -0.42 0.00 0.00 0.00 173.10 173.59 2g35 s ILE 28 N 0.54 3.23 0.54 0.90 1.09 -0.88 -0.46 121.20 126.15 2g35 s ILE 28 Ca 0.32 -1.18 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 2g35 s ILE 28 Cb -0.17 -2.78 0.03 0.00 -1.06 0.00 0.00 42.46 38.47 2g35 s ILE 28 CO 0.15 -0.04 0.77 -0.89 -0.10 0.00 0.00 174.94 174.84 2g35 s THR 29 N 1.32 2.96 -1.50 2.92 2.01 0.54 -3.71 115.64 120.18 2g35 s THR 29 Ca -0.03 -0.59 0.24 0.00 0.31 0.00 0.00 61.69 61.62 2g35 s THR 29 Cb -0.19 -3.12 0.44 0.00 0.01 0.00 0.00 72.50 69.65 2g35 s THR 29 CO -0.01 -0.09 1.77 2.29 -0.69 0.00 0.00 174.62 177.90 2g35 n LYS 30 N -2.33 0.39 0.00 4.92 2.85 -1.26 -3.38 118.16 119.35 2g35 n LYS 30 Ca 0.06 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2g35 n LYS 30 Cb 0.59 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 -1.25 0.00 -3.56 -1.58 1.02 -1.26 -4.73 120.64 109.28 2g35 n GLU 31 Ca 0.12 -0.29 -0.06 0.00 -0.02 0.00 0.00 57.16 56.91 2g35 n GLU 31 Cb 0.17 -0.42 -0.02 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.82 2.71 0.02 0.00 1.01 0.20 0.20 120.40 121.74 2g35 s VAL 33 Ca 0.08 -1.51 -0.02 0.00 0.00 0.00 0.00 61.98 60.53 2g35 s VAL 33 Cb -0.01 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2g35 s VAL 33 CO -0.06 0.14 0.02 0.00 0.00 0.00 0.00 175.10 175.19 2g35 s MET 34 N -2.01 0.43 -0.01 2.72 0.23 0.39 0.20 119.30 121.25 2g35 s MET 34 Ca 0.17 -0.69 -0.17 0.00 -1.03 0.00 0.00 55.69 53.97 2g35 s MET 34 Cb -0.10 0.16 -0.06 0.00 -1.53 0.00 0.00 34.83 33.30 2g35 s MET 34 CO 0.09 -0.09 0.48 1.03 -2.03 0.00 0.00 175.02 174.50 2g35 s ARG 35 N -1.99 4.14 -0.05 3.16 0.52 0.25 -1.95 118.95 123.03 2g35 s ARG 35 Ca -0.11 0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 55.63 2g35 s ARG 35 Cb -0.06 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.15 2g35 s ARG 35 CO -0.02 0.51 -0.01 0.08 0.02 0.00 0.00 175.30 175.88 2g35 s VAL 36 N -0.55 0.30 0.47 3.52 1.01 0.12 0.13 120.40 125.40 2g35 s VAL 36 Ca 0.26 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 2g35 s VAL 36 Cb -0.17 -0.41 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 2g35 s VAL 36 CO 0.14 0.20 1.10 -0.62 0.00 0.00 0.00 175.10 175.92 2g35 s ASP 37 N 1.34 6.22 0.19 3.32 -1.08 -0.64 0.27 116.67 126.29 2g35 s ASP 37 Ca -0.05 2.13 0.21 0.00 -0.52 0.00 0.00 52.55 54.32 2g35 s ASP 37 Cb -0.13 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.73 2g35 s ASP 37 CO -0.02 -0.87 1.03 -0.08 0.52 0.00 0.00 175.17 175.75 2g35 h GLU 38 N 1.82 0.00 0.07 4.34 4.22 -1.85 0.86 114.58 124.05 2g35 h GLU 38 Ca -0.49 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 2g35 h GLU 38 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2g35 h GLU 38 CO 0.60 0.07 -0.04 -0.22 -2.18 0.00 0.00 179.01 177.24 2g35 h LYS 39 N 0.00 -0.10 -0.01 1.92 3.64 -1.91 -3.35 116.57 116.76 2g35 h LYS 39 Ca -0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2g35 h LYS 39 Cb 1.14 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2g35 h LYS 39 CO 0.01 0.46 -0.39 2.41 -2.27 0.00 0.00 179.45 179.68 2g35 n THR 40 N -4.83 0.00 -1.60 1.00 -1.04 -1.26 -4.94 114.28 101.60 2g35 n THR 40 Ca -0.08 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.05 61.48 2g35 n THR 40 Cb 0.30 1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 69.99 2g35 n THR 40 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2g35 n LYS 41 N -0.05 -1.46 -3.37 -2.82 5.02 0.29 -4.92 118.16 110.86 2g35 n LYS 41 Ca 0.08 0.79 -0.21 0.00 -2.02 0.00 0.00 58.31 56.95 2g35 n LYS 41 Cb 0.40 -5.12 -0.00 0.00 -0.02 0.00 0.00 35.03 30.29 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 -3.54 3.20 -0.13 1.97 2.56 -1.25 -4.81 118.70 116.71 2g35 s GLU 42 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 54.97 54.03 2g35 s GLU 42 Cb 0.00 -2.72 -0.03 0.00 2.00 0.00 0.00 34.13 33.38 2g35 s GLU 42 CO 0.00 0.02 0.74 0.08 -0.56 0.00 0.00 175.26 175.53 2g35 s VAL 43 N -2.29 4.98 -0.15 3.70 1.01 -1.26 -1.62 120.40 124.77 2g35 s VAL 43 Ca 0.44 1.47 0.19 0.00 0.00 0.00 0.00 61.98 64.07 2g35 s VAL 43 Cb -0.10 -4.06 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 2g35 s VAL 43 CO 0.34 0.14 0.19 -0.38 0.00 0.00 0.00 175.10 175.39 2g35 n ILE 44 N 4.30 0.96 -3.78 2.22 2.08 0.35 -4.95 119.36 120.54 2g35 n ILE 44 Ca 0.01 -0.74 -0.09 0.00 0.56 0.00 0.00 62.75 62.49 2g35 n ILE 44 Cb 0.50 -0.33 -0.04 0.00 -0.75 0.00 0.00 39.64 39.03 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 -2.77 1.48 0.00 0.38 0.74 -1.12 -4.87 119.66 113.50 2g35 s GLN 45 Ca -0.09 -0.92 -0.00 0.00 0.05 0.00 0.00 55.36 54.39 2g35 s GLN 45 Cb 0.08 0.54 -0.00 0.00 1.10 0.00 0.00 33.01 34.73 2g35 s GLN 45 CO 0.84 -0.64 -0.00 -1.21 -0.55 0.00 0.00 175.29 173.72 2g35 s GLU 46 N -3.90 0.02 0.03 1.67 2.02 -1.26 -0.59 118.70 116.70 2g35 s GLU 46 Ca 0.11 -0.04 -0.00 0.00 0.02 0.00 0.00 54.97 55.05 2g35 s GLU 46 Cb -0.02 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.19 2g35 s GLU 46 CO 0.00 -0.00 -0.03 -1.58 0.02 0.00 0.00 175.26 173.67 2g35 s TRP 47 N -0.10 0.36 0.14 1.61 0.51 0.54 -4.94 118.94 117.07 2g35 s TRP 47 Ca -0.01 -0.75 -0.19 0.00 -2.12 0.00 0.00 56.10 53.03 2g35 s TRP 47 Cb -0.01 -0.27 -0.07 0.00 -0.81 0.00 0.00 33.47 32.31 2g35 s TRP 47 CO -0.00 -0.27 0.63 -1.54 -0.51 0.00 0.00 176.95 175.26 2g35 s SER 48 N -2.05 7.05 0.46 2.95 1.04 -1.26 0.62 113.70 122.50 2g35 s SER 48 Ca -0.07 1.31 0.21 0.00 0.48 0.00 0.00 55.95 57.88 2g35 s SER 48 Cb -0.03 -2.38 1.10 0.00 0.10 0.00 0.00 66.02 64.82 2g35 s SER 48 CO -0.05 0.17 1.95 -0.07 0.98 0.00 0.00 173.24 176.22 2g35 h LEU 49 N 4.00 0.00 0.00 2.42 3.38 -1.81 -1.06 115.31 122.24 2g35 h LEU 49 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2g35 h LEU 49 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2g35 h LEU 49 CO 0.65 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.75 2g35 n THR 50 N -3.82 0.20 0.03 0.22 -2.24 -1.26 -2.82 114.28 104.58 2g35 n THR 50 Ca -0.02 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 2g35 n THR 50 Cb 0.32 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 2g35 n THR 50 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2g35 h ASN 51 N 0.00 0.00 -2.83 3.42 -0.73 -1.58 -3.45 115.58 110.41 2g35 h ASN 51 Ca 0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.63 2g35 h ASN 51 Cb 0.16 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.76 2g35 h ASN 51 CO 0.00 0.69 0.89 -0.63 -0.37 0.00 0.00 177.43 178.01 2g35 s ILE 52 N -2.84 3.33 -0.20 2.57 1.01 -1.13 -4.36 121.20 119.58 2g35 s ILE 52 Ca -0.03 0.79 -0.21 0.00 0.00 0.00 0.00 60.65 61.21 2g35 s ILE 52 Cb 0.08 -3.51 -0.20 0.00 0.01 0.00 0.00 42.46 38.85 2g35 s ILE 52 CO 0.81 0.01 0.24 0.50 0.00 0.00 0.00 174.94 176.50 2g35 h LYS 53 N 7.84 0.02 -3.67 2.79 3.64 0.19 -3.48 116.57 123.91 2g35 h LYS 53 Ca -0.41 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 58.79 2g35 h LYS 53 Cb 1.19 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 2g35 h LYS 53 CO 0.91 1.02 -0.03 -0.98 -2.27 0.00 0.00 179.45 178.10 2g35 s ARG 54 N -2.38 1.94 0.29 1.90 1.70 -1.22 -4.99 118.95 116.19 2g35 s ARG 54 Ca -0.28 -1.55 -0.18 0.00 -0.47 0.00 0.00 55.73 53.25 2g35 s ARG 54 Cb 0.06 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 2g35 s ARG 54 CO 0.61 -0.84 0.67 1.67 -1.08 0.00 0.00 175.30 176.33 2g35 s TRP 55 N -3.04 0.01 -0.14 5.89 -2.14 -1.26 -1.06 118.94 117.20 2g35 s TRP 55 Ca 0.24 -0.47 -0.05 0.00 2.66 0.00 0.00 56.10 58.48 2g35 s TRP 55 Cb -0.02 0.59 0.06 0.00 -3.10 0.00 0.00 33.47 31.01 2g35 s TRP 55 CO 0.15 -1.23 0.29 0.00 -2.66 0.00 0.00 176.95 173.50 2g35 s ALA 56 N -3.71 -0.65 -0.38 2.67 0.00 -0.20 -4.96 121.76 114.52 2g35 s ALA 56 Ca 0.15 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 2g35 s ALA 56 Cb -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2g35 s ALA 56 CO 0.08 -0.57 0.31 0.00 0.00 0.00 0.00 175.76 175.58 2g35 s ALA 57 N 2.23 3.48 0.49 0.00 0.00 -1.26 -1.40 121.76 125.30 2g35 s ALA 57 Ca -0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 2g35 s ALA 57 Cb -0.12 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2g35 s ALA 57 CO -0.09 -1.29 0.77 -1.12 0.00 0.00 0.00 175.76 174.02 2g35 s SER 58 N 1.72 5.97 0.00 0.00 0.01 0.21 -4.84 113.70 116.78 2g35 s SER 58 Ca 0.07 0.66 0.01 0.00 1.31 0.00 0.00 55.95 58.00 2g35 s SER 58 Cb -0.18 -1.90 0.04 0.00 0.21 0.00 0.00 66.02 64.19 2g35 s SER 58 CO 0.11 -0.72 0.40 -0.81 0.41 0.00 0.00 173.24 172.63 2g35 n PRO 59 N -2.26 0.03 0.00 12.44 -0.04 -1.26 -2.75 135.00 141.16 2g35 n PRO 59 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2g35 n PRO 59 Cb 0.57 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.85 0.00 -4.12 0.54 2.85 -1.25 -4.80 118.16 110.54 2g35 n LYS 60 Ca 0.01 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2g35 n LYS 60 Cb 0.00 -0.02 -0.09 0.00 -0.65 0.00 0.00 35.03 34.27 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2g35 s SER 61 N 0.00 0.17 -0.00 -5.58 0.01 -1.11 0.27 113.70 107.46 2g35 s SER 61 Ca 0.00 -1.19 0.04 0.00 1.31 0.00 0.00 55.95 56.11 2g35 s SER 61 Cb 0.00 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 2g35 s SER 61 CO 0.00 -0.83 -0.12 0.12 0.41 0.00 0.00 173.24 172.82 2g35 s PHE 62 N -4.07 1.06 -0.00 2.43 5.36 -0.56 0.68 117.98 122.88 2g35 s PHE 62 Ca 0.28 -0.22 0.03 0.00 -0.96 0.00 0.00 56.93 56.07 2g35 s PHE 62 Cb 0.06 -0.68 -0.01 0.00 -0.34 0.00 0.00 43.02 42.05 2g35 s PHE 62 CO 0.06 -0.01 -0.10 0.99 -1.46 0.00 0.00 175.22 174.69 2g35 s THR 63 N -0.34 0.81 0.10 0.12 2.01 -0.49 -1.84 115.64 116.00 2g35 s THR 63 Ca 0.04 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2g35 s THR 63 Cb -0.05 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2g35 s THR 63 CO -0.00 0.19 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.54 2g35 s LEU 64 N -0.35 2.41 -0.04 4.42 2.34 -0.88 -1.03 118.68 125.55 2g35 s LEU 64 Ca 0.03 -0.83 0.02 0.00 0.06 0.00 0.00 54.13 53.42 2g35 s LEU 64 Cb -0.04 -0.26 0.01 0.00 -0.56 0.00 0.00 46.19 45.33 2g35 s LEU 64 CO -0.00 -0.29 -0.10 -1.81 -1.06 0.00 0.00 176.35 173.09 2g35 s ASP 65 N -2.50 1.44 0.00 1.48 1.11 -0.22 -2.08 116.67 115.90 2g35 s ASP 65 Ca 0.06 -0.23 0.24 0.00 0.18 0.00 0.00 52.55 52.80 2g35 s ASP 65 Cb -0.02 -0.53 0.21 0.00 1.07 0.00 0.00 42.92 43.65 2g35 s ASP 65 CO -0.01 0.04 1.25 0.49 1.18 0.00 0.00 175.17 178.13 2g35 n PHE 66 N 3.57 0.00 -0.31 4.23 3.72 -1.26 0.20 117.46 127.60 2g35 n PHE 66 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2g35 n PHE 66 Cb 0.53 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.36 2.14 3.44 1.37 0.00 -1.26 -4.64 105.19 107.59 2g35 n GLY 67 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.53 6.19 0.23 1.61 1.01 -1.26 -4.91 116.67 116.01 2g35 s ASP 68 Ca 0.00 -1.06 -0.11 0.00 0.71 0.00 0.00 52.55 52.09 2g35 s ASP 68 Cb 0.00 -2.38 0.31 0.00 1.01 0.00 0.00 42.92 41.86 2g35 s ASP 68 CO 0.00 -1.31 1.62 0.22 0.21 0.00 0.00 175.17 175.92 2g35 h TYR 69 N 9.41 -0.28 -0.13 4.23 3.20 -1.92 0.32 116.97 131.81 2g35 h TYR 69 Ca -0.29 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.67 2g35 h TYR 69 Cb 1.08 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 2g35 h TYR 69 CO 0.91 -0.28 -0.53 -0.56 -1.64 0.00 0.00 178.16 176.07 2g35 h GLN 70 N 0.03 -0.55 -0.48 1.82 -0.00 -2.02 0.18 115.11 114.09 2g35 h GLN 70 Ca 0.35 0.04 0.04 0.00 -0.00 0.00 0.00 58.65 59.07 2g35 h GLN 70 Cb 0.55 0.12 -0.03 0.00 -0.00 0.00 0.00 27.48 28.13 2g35 h GLN 70 CO -0.69 -0.36 0.32 0.22 -0.00 0.00 0.00 178.83 178.32 2g35 h ASP 71 N -0.57 0.43 -3.56 0.06 1.82 -1.59 -3.48 116.42 109.54 2g35 h ASP 71 Ca 0.03 -0.00 0.26 0.00 -0.39 0.00 0.00 57.03 56.92 2g35 h ASP 71 Cb 0.66 -0.10 -0.08 0.00 0.68 0.00 0.00 39.33 40.50 2g35 h ASP 71 CO -0.42 0.30 -0.43 0.61 -1.61 0.00 0.00 179.24 177.69 2g35 n GLY 72 N -1.49 -1.92 3.79 -0.78 0.00 1.00 -4.81 105.19 100.98 2g35 n GLY 72 Ca 0.06 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.14 2.83 -0.22 1.61 2.02 -1.26 -4.61 117.35 115.58 2g35 s TYR 73 Ca 0.00 1.51 -0.02 0.00 -0.37 0.00 0.00 57.07 58.19 2g35 s TYR 73 Cb 0.00 -3.01 0.07 0.00 -0.40 0.00 0.00 41.96 38.61 2g35 s TYR 73 CO 0.00 -1.46 0.02 -0.47 -1.57 0.00 0.00 175.55 172.07 2g35 s TYR 74 N -2.74 1.48 0.12 2.71 5.04 -0.88 -5.00 117.35 118.08 2g35 s TYR 74 Ca 0.62 -1.22 0.06 0.00 -2.44 0.00 0.00 57.07 54.08 2g35 s TYR 74 Cb -0.17 -1.27 -0.04 0.00 0.35 0.00 0.00 41.96 40.83 2g35 s TYR 74 CO 0.49 -0.69 -0.13 0.45 -1.34 0.00 0.00 175.55 174.32 2g35 s SER 75 N 1.70 1.92 0.27 4.32 0.15 -1.26 -2.08 113.70 118.73 2g35 s SER 75 Ca -0.01 -0.84 -0.11 0.00 0.70 0.00 0.00 55.95 55.70 2g35 s SER 75 Cb -0.18 -0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2g35 s SER 75 CO -0.10 -0.18 0.49 0.68 1.20 0.00 0.00 173.24 175.33 2g35 s VAL 76 N -2.32 0.00 0.39 4.45 -7.23 -0.76 -5.00 120.40 109.93 2g35 s VAL 76 Ca 0.10 -1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 58.59 2g35 s VAL 76 Cb -0.04 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 2g35 s VAL 76 CO 0.03 0.00 0.99 -1.10 -0.31 0.00 0.00 175.10 174.70 2g35 s GLN 77 N -3.72 4.30 -0.18 4.82 1.11 -1.02 -1.50 119.66 123.48 2g35 s GLN 77 Ca 0.24 1.34 -0.08 0.00 0.01 0.00 0.00 55.36 56.87 2g35 s GLN 77 Cb -0.01 -2.51 0.07 0.00 -1.01 0.00 0.00 33.01 29.55 2g35 s GLN 77 CO 0.12 0.01 0.41 0.95 0.01 0.00 0.00 175.29 176.78 2g35 s THR 78 N -1.80 -0.21 0.43 -0.19 -4.23 0.76 -3.29 115.64 107.11 2g35 s THR 78 Ca 0.57 0.12 0.15 0.00 -1.18 0.00 0.00 61.69 61.35 2g35 s THR 78 Cb -0.17 -0.62 0.18 0.00 1.34 0.00 0.00 72.50 73.23 2g35 s THR 78 CO 0.22 0.05 1.97 0.74 -0.54 0.00 0.00 174.62 177.06 2g35 h THR 79 N 5.75 1.10 0.00 3.99 2.02 -1.86 -3.03 112.91 120.88 2g35 h THR 79 Ca -0.30 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2g35 h THR 79 Cb 1.16 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2g35 h THR 79 CO 0.24 0.20 -0.42 -0.62 0.37 0.00 0.00 175.52 175.30 2g35 n GLU 80 N -4.22 0.23 0.00 6.66 -0.58 -1.26 -4.64 120.64 116.83 2g35 n GLU 80 Ca -0.02 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2g35 n GLU 80 Cb 0.27 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g35 n GLY 81 N 1.51 1.29 0.10 0.62 0.00 -1.25 -4.57 105.19 102.88 2g35 n GLY 81 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2g35 n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g35 h GLU 82 N 0.00 -0.12 -0.87 1.61 4.81 -1.88 -3.13 114.58 115.00 2g35 h GLU 82 Ca 0.00 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.40 2g35 h GLU 82 Cb 0.00 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.31 2g35 h GLU 82 CO 0.00 0.11 0.45 1.96 -0.73 0.00 0.00 179.01 180.80 2g35 h GLN 83 N -1.01 0.59 -0.90 1.92 4.20 -1.98 1.08 115.11 119.02 2g35 h GLN 83 Ca -0.01 -0.04 0.21 0.00 0.06 0.00 0.00 58.65 58.87 2g35 h GLN 83 Cb 0.29 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 2g35 h GLN 83 CO 0.02 0.39 0.60 0.82 -0.67 0.00 0.00 178.83 179.99 2g35 h ILE 84 N 0.61 0.66 0.09 2.54 1.08 -1.91 2.16 117.51 122.73 2g35 h ILE 84 Ca 0.49 -0.12 -0.29 0.00 -0.39 0.00 0.00 64.86 64.55 2g35 h ILE 84 Cb 0.74 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 2g35 h ILE 84 CO -0.39 0.07 -1.46 0.00 -0.69 0.00 0.00 178.15 175.68 2g35 h ALA 85 N 1.61 0.32 0.05 1.87 0.00 0.11 -2.59 119.26 120.63 2g35 h ALA 85 Ca 0.47 -1.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.00 2g35 h ALA 85 Cb 1.23 0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.26 2g35 h ALA 85 CO -0.16 1.19 -1.10 0.37 0.00 0.00 0.00 179.25 179.54 2g35 h GLN 86 N 0.05 0.59 -0.49 0.00 4.15 0.26 0.95 115.11 120.62 2g35 h GLN 86 Ca -0.21 -0.70 -0.13 0.00 0.77 0.00 0.00 58.65 58.39 2g35 h GLN 86 Cb 1.98 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.87 2g35 h GLN 86 CO 0.15 1.29 -0.20 1.25 -1.93 0.00 0.00 178.83 179.40 2g35 h LEU 87 N 0.30 1.01 0.00 -2.39 5.85 0.32 -0.05 115.31 120.36 2g35 h LEU 87 Ca -0.14 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 2g35 h LEU 87 Cb 1.76 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2g35 h LEU 87 CO 0.21 1.17 -0.00 0.40 -0.34 0.00 0.00 178.44 179.88 2g35 h ILE 88 N 0.86 1.73 0.00 4.05 2.04 -1.46 -3.06 117.51 121.67 2g35 h ILE 88 Ca 0.12 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2g35 h ILE 88 Cb 0.77 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 2g35 h ILE 88 CO 0.06 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.77 2g35 h ALA 89 N 0.08 1.00 0.00 1.87 0.00 0.94 -0.40 119.26 122.76 2g35 h ALA 89 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2g35 h ALA 89 Cb 0.91 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2g35 h ALA 89 CO 0.00 -0.00 -1.19 0.78 0.00 0.00 0.00 179.25 178.83 2g35 h GLY 90 N 0.00 0.00 1.44 0.00 0.00 -0.96 -3.33 103.07 100.23 2g35 h GLY 90 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 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 0.00 0.00 5.60 0.05 -0.99 -3.31 116.97 118.32 2g35 h TYR 91 Ca -0.10 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 2g35 h TYR 91 Cb 1.81 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.55 2g35 h TYR 91 CO 0.00 0.87 -0.16 0.82 -1.05 0.00 0.00 178.16 178.64 2g35 h ILE 92 N 0.00 0.68 0.00 -2.88 2.04 -1.52 -1.94 117.51 113.89 2g35 h ILE 92 Ca -0.14 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 2g35 h ILE 92 Cb 1.79 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2g35 h ILE 92 CO 0.09 0.15 -0.51 0.44 0.00 0.00 0.00 178.15 178.32 2g35 h ASP 93 N 0.00 0.00 1.05 1.72 3.32 -1.67 -3.18 116.42 117.67 2g35 h ASP 93 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2g35 h ASP 93 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2g35 h ASP 93 CO 0.02 0.08 -1.00 0.40 -1.72 0.00 0.00 179.24 177.02 2g35 h ILE 94 N 0.00 0.42 0.11 0.35 2.04 -1.46 -3.22 117.51 115.74 2g35 h ILE 94 Ca -0.01 -1.72 -0.29 0.00 1.00 0.00 0.00 64.86 63.84 2g35 h ILE 94 Cb 1.07 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2g35 h ILE 94 CO 0.01 0.24 -1.41 0.16 0.00 0.00 0.00 178.15 177.15 2g35 h ILE 95 N 0.00 1.29 0.00 -0.67 3.07 -1.50 -3.23 117.51 116.46 2g35 h ILE 95 Ca -0.08 -2.93 -0.04 0.00 1.55 0.00 0.00 64.86 63.36 2g35 h ILE 95 Cb 1.35 2.81 -0.01 0.00 -0.27 0.00 0.00 36.82 40.70 2g35 h ILE 95 CO 0.04 0.84 -0.21 -0.07 -1.05 0.00 0.00 178.15 177.69 2g35 h LEU 96 N 0.06 0.00 -0.13 0.16 3.38 -1.67 -2.98 115.31 114.13 2g35 h LEU 96 Ca -0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2g35 h LEU 96 Cb 1.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 2g35 h LEU 96 CO 0.17 0.21 -0.19 0.50 0.09 0.00 0.00 178.44 179.22 2g35 h LYS 97 N 0.00 0.36 -0.24 1.13 3.11 -1.57 -2.71 116.57 116.65 2g35 h LYS 97 Ca -0.00 -0.21 0.07 0.00 -2.81 0.00 0.00 60.65 57.70 2g35 h LYS 97 Cb 0.64 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 2g35 h LYS 97 CO 0.03 0.79 0.28 0.87 -2.81 0.00 0.00 179.45 178.60 2g35 h LYS 98 N -0.04 0.00 -0.01 1.90 1.79 -1.55 -0.87 116.57 117.78 2g35 h LYS 98 Ca 0.01 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2g35 h LYS 98 Cb 0.75 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2g35 h LYS 98 CO 0.04 0.00 -0.37 -0.22 -1.08 0.00 0.00 179.45 177.83 2g35 h LYS 99 N 0.00 0.27 -0.02 3.15 3.64 -1.48 -3.52 116.57 118.60 2g35 h LYS 99 Ca 0.11 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2g35 h LYS 99 Cb 0.66 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2g35 h LYS 99 CO -0.00 0.97 0.00 1.63 -2.27 0.00 0.00 179.45 179.78