#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 0.46 -2.48 3.23 4.01 -1.26 -2.62 118.16 119.50 2g35 n LYS 2 Ca 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.64 2g35 n LYS 2 Cb 0.00 -1.02 0.02 0.00 -0.51 0.00 0.00 35.03 33.53 2g35 n LYS 2 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2g35 n THR 3 N -0.44 1.83 -2.67 -0.18 -2.24 -1.26 -4.95 114.28 104.36 2g35 n THR 3 Ca 0.00 -3.85 -0.43 0.00 -2.27 0.00 0.00 64.05 57.51 2g35 n THR 3 Cb 0.01 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2g35 s TYR 4 N -3.52 2.76 0.00 4.78 6.14 -1.08 -3.64 117.35 122.80 2g35 s TYR 4 Ca 0.39 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.53 2g35 s TYR 4 Cb 0.40 -4.32 0.00 0.00 0.42 0.00 0.00 41.96 38.46 2g35 s TYR 4 CO -0.04 -1.37 0.00 0.41 0.64 0.00 0.00 175.55 175.19 2g35 n GLY 5 N 4.99 0.76 3.13 8.97 0.00 -1.26 -5.07 105.19 116.70 2g35 n GLY 5 Ca 0.08 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.89 1.21 -0.71 1.61 1.01 -1.24 -5.03 120.40 114.36 2g35 s VAL 6 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 2g35 s VAL 6 Cb 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.42 2g35 s VAL 6 CO 0.00 0.33 1.15 -0.55 0.00 0.00 0.00 175.10 176.03 2g35 s SER 7 N -0.39 6.17 -0.24 3.32 0.15 -1.22 -4.84 113.70 116.65 2g35 s SER 7 Ca 0.06 -0.70 -0.22 0.00 0.70 0.00 0.00 55.95 55.79 2g35 s SER 7 Cb -0.06 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2g35 s SER 7 CO -0.00 -1.67 0.70 0.72 1.20 0.00 0.00 173.24 174.18 2g35 s PHE 8 N 5.02 3.31 -0.14 3.44 -0.12 -1.25 -1.19 117.98 127.04 2g35 s PHE 8 Ca 0.30 0.95 -0.06 0.00 -0.05 0.00 0.00 56.93 58.07 2g35 s PHE 8 Cb -0.12 -2.90 -0.04 0.00 -0.63 0.00 0.00 43.02 39.34 2g35 s PHE 8 CO 0.12 -0.31 0.06 -0.06 -0.05 0.00 0.00 175.22 174.98 2g35 s PHE 9 N 2.47 3.30 -0.52 3.49 0.40 0.02 -4.71 117.98 122.43 2g35 s PHE 9 Ca 0.30 0.19 -0.27 0.00 -0.60 0.00 0.00 56.93 56.55 2g35 s PHE 9 Cb -0.16 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2g35 s PHE 9 CO 0.09 0.35 1.04 -1.17 0.70 0.00 0.00 175.22 176.23 2g35 s LEU 10 N -0.23 3.81 0.16 -0.37 0.20 -1.26 -0.71 118.68 120.28 2g35 s LEU 10 Ca 0.08 0.06 0.10 0.00 0.69 0.00 0.00 54.13 55.06 2g35 s LEU 10 Cb -0.12 -3.16 -0.04 0.00 -0.43 0.00 0.00 46.19 42.43 2g35 s LEU 10 CO 0.01 -1.25 -0.20 0.68 -0.29 0.00 0.00 176.35 175.30 2g35 s VAL 11 N 4.27 2.61 -0.05 1.68 -7.23 0.94 -4.90 120.40 117.71 2g35 s VAL 11 Ca 0.39 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2g35 s VAL 11 Cb -0.09 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 2g35 s VAL 11 CO 0.25 -0.03 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.47 2g35 s LYS 12 N -2.49 2.89 0.29 4.82 1.02 -0.98 0.76 119.74 126.05 2g35 s LYS 12 Ca 0.20 -0.50 0.11 0.00 0.02 0.00 0.00 55.97 55.80 2g35 s LYS 12 Cb -0.09 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 2g35 s LYS 12 CO 0.10 0.67 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.86 2g35 s GLU 13 N -1.15 1.86 -0.50 1.68 2.02 0.21 0.70 118.70 123.52 2g35 s GLU 13 Ca 0.16 -1.70 -0.09 0.00 0.02 0.00 0.00 54.97 53.36 2g35 s GLU 13 Cb -0.11 -1.86 0.13 0.00 0.10 0.00 0.00 34.13 32.38 2g35 s GLU 13 CO 0.05 0.31 0.36 0.15 0.02 0.00 0.00 175.26 176.16 2g35 s LYS 14 N -3.57 2.51 0.58 1.61 -0.14 -1.26 0.28 119.74 119.74 2g35 s LYS 14 Ca 0.31 -1.86 -0.17 0.00 -1.36 0.00 0.00 55.97 52.89 2g35 s LYS 14 Cb -0.04 -3.92 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 2g35 s LYS 14 CO 0.17 -1.19 1.09 -1.64 -0.76 0.00 0.00 175.35 173.01 2g35 s MET 15 N 1.19 3.26 0.00 1.68 -1.94 -1.25 -5.00 119.30 117.24 2g35 s MET 15 Ca 0.07 1.39 0.00 0.00 -1.71 0.00 0.00 55.69 55.44 2g35 s MET 15 Cb -0.25 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.58 2g35 s MET 15 CO -0.02 -0.88 0.00 0.36 -0.01 0.00 0.00 175.02 174.47 2g35 n LYS 16 N -1.78 0.00 -0.43 2.03 -0.00 -1.26 -3.11 118.16 113.61 2g35 n LYS 16 Ca 0.10 0.00 0.33 0.00 -0.00 0.00 0.00 58.31 58.74 2g35 n LYS 16 Cb 0.52 -0.43 0.50 0.00 -0.00 0.00 0.00 35.03 35.62 2g35 n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2g35 n GLY 17 N 0.00 -0.60 3.35 2.58 0.00 -1.26 -3.86 105.19 105.39 2g35 n GLY 17 Ca 0.00 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2g35 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g35 s LYS 18 N -4.12 3.42 0.00 1.61 0.00 -1.18 -4.92 119.74 114.55 2g35 s LYS 18 Ca -0.03 -0.62 0.23 0.00 0.00 0.00 0.00 55.97 55.55 2g35 s LYS 18 Cb 0.16 -2.91 1.33 0.00 0.00 0.00 0.00 37.83 36.41 2g35 s LYS 18 CO 0.54 -0.05 1.77 0.27 0.00 0.00 0.00 175.35 177.88 2g35 n ASN 19 N 4.35 0.00 -2.85 0.03 2.04 -1.25 -3.91 115.26 113.67 2g35 n ASN 19 Ca -0.18 -0.53 -0.10 0.00 -0.44 0.00 0.00 54.58 53.33 2g35 n ASN 19 Cb 0.51 -0.08 0.08 0.00 -2.53 0.00 0.00 39.78 37.76 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2g35 n LYS 20 N -1.08 -1.72 -4.24 -3.83 3.00 -1.26 -4.94 118.16 104.08 2g35 n LYS 20 Ca 0.16 -0.58 -0.25 0.00 -0.00 0.00 0.00 58.31 57.64 2g35 n LYS 20 Cb 0.11 -0.54 -0.07 0.00 0.00 0.00 0.00 35.03 34.53 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 3.29 -0.18 3.14 1.43 -1.26 -4.04 118.68 121.06 2g35 s LEU 21 Ca 0.24 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2g35 s LEU 21 Cb -0.02 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2g35 s LEU 21 CO 0.18 0.04 -0.03 -0.69 0.23 0.00 0.00 176.35 176.08 2g35 s VAL 22 N -2.01 1.03 0.54 -1.59 1.01 0.79 -4.85 120.40 115.32 2g35 s VAL 22 Ca 0.29 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2g35 s VAL 22 Cb -0.08 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 2g35 s VAL 22 CO 0.19 0.03 1.21 -2.65 0.00 0.00 0.00 175.10 173.88 2g35 n PRO 23 N 4.89 1.45 -3.68 2.72 -0.02 -1.26 0.66 135.00 139.75 2g35 n PRO 23 Ca -0.11 0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 2g35 n PRO 23 Cb 0.47 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 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 -2.71 0.71 -0.10 -0.52 6.06 0.23 -4.05 118.95 118.56 2g35 s ARG 24 Ca 0.71 0.35 -0.05 0.00 -2.50 0.00 0.00 55.73 54.25 2g35 s ARG 24 Cb -0.44 0.33 -0.04 0.00 0.06 0.00 0.00 34.95 34.87 2g35 s ARG 24 CO 0.50 -0.16 0.09 -0.51 -2.50 0.00 0.00 175.30 172.72 2g35 s LEU 25 N -0.49 4.08 -0.24 -0.88 1.43 0.62 -0.04 118.68 123.15 2g35 s LEU 25 Ca -0.06 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2g35 s LEU 25 Cb -0.03 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2g35 s LEU 25 CO 0.04 0.39 -0.04 -0.22 0.23 0.00 0.00 176.35 176.75 2g35 s LEU 26 N -1.04 2.67 -0.05 1.79 2.96 0.12 0.02 118.68 125.15 2g35 s LEU 26 Ca 0.15 -1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.51 2g35 s LEU 26 Cb -0.12 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2g35 s LEU 26 CO 0.04 -0.26 1.00 -0.83 -1.32 0.00 0.00 176.35 174.99 2g35 s GLY 27 N 1.38 2.60 -0.17 7.98 0.00 0.45 -0.80 107.32 118.76 2g35 s GLY 27 Ca -0.04 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 2g35 s GLY 27 CO -0.07 1.82 -0.06 -0.42 0.00 0.00 0.00 173.10 174.37 2g35 s ILE 28 N 1.55 3.50 0.24 0.90 -1.09 -0.33 0.25 121.20 126.22 2g35 s ILE 28 Ca 0.50 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 2g35 s ILE 28 Cb -0.20 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.10 2g35 s ILE 28 CO 0.23 0.48 0.01 0.42 -1.23 0.00 0.00 174.94 174.85 2g35 s THR 29 N 0.70 0.99 -0.51 2.92 -4.23 -0.28 -3.42 115.64 111.81 2g35 s THR 29 Ca -0.03 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 58.71 2g35 s THR 29 Cb -0.15 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.56 2g35 s THR 29 CO 0.02 -0.26 1.76 0.07 -0.54 0.00 0.00 174.62 175.67 2g35 h LYS 30 N 2.43 0.00 0.00 3.99 2.10 -1.97 -3.17 116.57 119.94 2g35 h LYS 30 Ca -0.38 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.19 2g35 h LYS 30 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2g35 h LYS 30 CO 0.65 0.00 -1.88 0.39 -2.00 0.00 0.00 179.45 176.61 2g35 n GLU 31 N -2.38 0.74 -3.63 0.07 1.02 -1.26 -4.90 120.64 110.31 2g35 n GLU 31 Ca 0.03 -0.12 -0.01 0.00 -0.02 0.00 0.00 57.16 57.04 2g35 n GLU 31 Cb 0.32 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.59 5.09 -0.10 0.00 1.01 0.07 -1.12 120.40 122.76 2g35 s VAL 33 Ca 0.13 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 2g35 s VAL 33 Cb 0.03 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2g35 s VAL 33 CO -0.03 0.47 0.09 -0.04 0.00 0.00 0.00 175.10 175.58 2g35 s MET 34 N 0.21 3.25 -0.15 2.72 1.00 0.68 -0.57 119.30 126.44 2g35 s MET 34 Ca 0.06 -0.26 -0.17 0.00 0.00 0.00 0.00 55.69 55.32 2g35 s MET 34 Cb -0.12 -3.02 -0.04 0.00 0.00 0.00 0.00 34.83 31.65 2g35 s MET 34 CO -0.00 0.74 0.43 1.03 0.00 0.00 0.00 175.02 177.22 2g35 s ARG 35 N -1.06 4.28 -0.05 2.03 0.52 0.77 -0.41 118.95 125.02 2g35 s ARG 35 Ca 0.15 0.34 -0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2g35 s ARG 35 Cb -0.12 -3.46 0.03 0.00 0.52 0.00 0.00 34.95 31.91 2g35 s ARG 35 CO 0.05 0.11 -0.00 0.08 0.02 0.00 0.00 175.30 175.55 2g35 s VAL 36 N 0.82 0.28 0.51 3.52 1.01 0.10 0.04 120.40 126.69 2g35 s VAL 36 Ca 0.23 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2g35 s VAL 36 Cb -0.15 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 2g35 s VAL 36 CO 0.09 0.21 1.13 -0.62 0.00 0.00 0.00 175.10 175.91 2g35 s ASP 37 N 1.48 5.94 0.18 3.32 -1.08 -0.79 0.23 116.67 125.95 2g35 s ASP 37 Ca -0.03 2.20 0.21 0.00 -0.52 0.00 0.00 52.55 54.41 2g35 s ASP 37 Cb -0.13 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 2g35 s ASP 37 CO -0.03 -1.07 1.02 -0.08 0.52 0.00 0.00 175.17 175.53 2g35 h GLU 38 N 1.54 0.00 0.01 4.34 4.22 -1.86 0.11 114.58 122.94 2g35 h GLU 38 Ca -0.50 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 2g35 h GLU 38 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2g35 h GLU 38 CO 0.58 0.09 -0.00 -0.22 -2.18 0.00 0.00 179.01 177.28 2g35 h LYS 39 N 0.00 -0.01 -0.01 1.92 3.64 -1.91 -3.35 116.57 116.85 2g35 h LYS 39 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2g35 h LYS 39 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2g35 h LYS 39 CO 0.01 0.81 -0.65 2.41 -2.27 0.00 0.00 179.45 179.76 2g35 n THR 40 N -4.70 0.00 -1.73 1.00 -1.04 -1.26 -4.94 114.28 101.61 2g35 n THR 40 Ca -0.09 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 2g35 n THR 40 Cb 0.40 1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 70.04 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 -0.52 -1.64 -3.82 -2.82 5.02 0.37 -4.91 118.16 109.84 2g35 n LYS 41 Ca 0.07 0.60 -0.21 0.00 -2.02 0.00 0.00 58.31 56.75 2g35 n LYS 41 Cb 0.42 -4.94 -0.03 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.70 2.99 -0.14 1.97 2.56 -1.25 -4.83 118.70 116.30 2g35 s GLU 42 Ca 0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 54.97 53.64 2g35 s GLU 42 Cb 0.00 -2.65 -0.02 0.00 2.00 0.00 0.00 34.13 33.46 2g35 s GLU 42 CO 0.00 0.21 0.83 0.08 -0.56 0.00 0.00 175.26 175.82 2g35 s VAL 43 N -2.18 4.90 -0.12 3.70 1.01 -1.26 -1.88 120.40 124.57 2g35 s VAL 43 Ca 0.39 1.65 0.18 0.00 0.00 0.00 0.00 61.98 64.19 2g35 s VAL 43 Cb -0.08 -4.14 -0.26 0.00 0.00 0.00 0.00 36.38 31.90 2g35 s VAL 43 CO 0.28 0.07 0.21 -0.38 0.00 0.00 0.00 175.10 175.27 2g35 n ILE 44 N 4.54 0.77 -3.63 2.22 2.08 0.11 -4.97 119.36 120.48 2g35 n ILE 44 Ca 0.04 -0.65 -0.03 0.00 0.56 0.00 0.00 62.75 62.66 2g35 n ILE 44 Cb 0.49 -0.29 -0.01 0.00 -0.75 0.00 0.00 39.64 39.08 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 -2.82 0.74 0.06 0.38 0.74 -1.20 -4.95 119.66 112.62 2g35 s GLN 45 Ca -0.08 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 54.96 2g35 s GLN 45 Cb 0.08 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 2g35 s GLN 45 CO 0.78 -0.34 -0.04 -1.21 -0.55 0.00 0.00 175.29 173.94 2g35 s GLU 46 N -2.87 0.64 0.02 1.67 2.02 -1.26 0.27 118.70 119.18 2g35 s GLU 46 Ca 0.11 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2g35 s GLU 46 Cb 0.00 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.28 2g35 s GLU 46 CO -0.03 -0.07 -0.03 -1.58 0.02 0.00 0.00 175.26 173.57 2g35 s TRP 47 N -3.46 0.28 0.17 1.61 0.51 0.26 -4.94 118.94 113.38 2g35 s TRP 47 Ca 0.05 -0.46 -0.27 0.00 -2.12 0.00 0.00 56.10 53.31 2g35 s TRP 47 Cb 0.04 -0.19 -0.08 0.00 -0.81 0.00 0.00 33.47 32.43 2g35 s TRP 47 CO -0.07 -0.15 0.83 -1.12 -0.51 0.00 0.00 176.95 175.92 2g35 s SER 48 N -1.28 7.45 0.39 2.95 0.01 -1.26 -0.75 113.70 121.21 2g35 s SER 48 Ca -0.13 1.71 0.11 0.00 1.31 0.00 0.00 55.95 58.95 2g35 s SER 48 Cb -0.09 -2.53 0.79 0.00 0.21 0.00 0.00 66.02 64.40 2g35 s SER 48 CO -0.01 0.16 1.90 -0.07 0.41 0.00 0.00 173.24 175.63 2g35 h LEU 49 N 4.48 0.13 0.00 2.44 3.38 -1.90 -1.35 115.31 122.49 2g35 h LEU 49 Ca -0.46 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2g35 h LEU 49 Cb 1.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2g35 h LEU 49 CO 0.67 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.91 2g35 n THR 50 N -4.23 0.31 1.08 0.22 -2.24 -1.26 -2.64 114.28 105.52 2g35 n THR 50 Ca -0.01 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 2g35 n THR 50 Cb 0.31 -0.67 0.28 0.00 -2.10 0.00 0.00 70.33 68.14 2g35 n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2g35 n ASN 51 N -1.40 0.70 -4.69 3.42 3.02 -0.51 -4.86 115.26 110.94 2g35 n ASN 51 Ca 0.08 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 2g35 n ASN 51 Cb 0.24 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2g35 n ASN 51 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2g35 s ILE 52 N -2.83 4.10 -0.15 2.41 1.01 -1.08 -4.44 121.20 120.22 2g35 s ILE 52 Ca 0.15 1.45 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 2g35 s ILE 52 Cb 0.18 -3.93 -0.21 0.00 0.01 0.00 0.00 42.46 38.51 2g35 s ILE 52 CO 0.65 0.01 0.53 0.50 0.00 0.00 0.00 174.94 176.63 2g35 h LYS 53 N 7.51 0.00 -2.12 2.79 3.11 0.38 -3.48 116.57 124.76 2g35 h LYS 53 Ca -0.36 0.00 0.24 0.00 -2.81 0.00 0.00 60.65 57.72 2g35 h LYS 53 Cb 1.17 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.32 2g35 h LYS 53 CO 0.88 0.87 0.66 -0.98 -2.81 0.00 0.00 179.45 178.07 2g35 s ARG 54 N -2.19 0.91 0.27 1.90 1.04 -1.08 -4.98 118.95 114.82 2g35 s ARG 54 Ca -0.19 -0.54 -0.07 0.00 -1.04 0.00 0.00 55.73 53.88 2g35 s ARG 54 Cb -0.00 0.28 -0.01 0.00 -2.04 0.00 0.00 34.95 33.18 2g35 s ARG 54 CO 0.59 -0.42 0.41 1.67 -0.04 0.00 0.00 175.30 177.50 2g35 s TRP 55 N -2.57 0.74 -0.24 5.89 -2.14 -1.26 0.64 118.94 119.99 2g35 s TRP 55 Ca 0.18 -1.03 -0.03 0.00 2.66 0.00 0.00 56.10 57.88 2g35 s TRP 55 Cb 0.00 -0.04 0.11 0.00 -3.10 0.00 0.00 33.47 30.44 2g35 s TRP 55 CO 0.01 -0.97 0.25 0.00 -2.66 0.00 0.00 176.95 173.58 2g35 s ALA 56 N -3.73 -0.31 -0.08 2.67 0.00 0.88 -4.98 121.76 116.21 2g35 s ALA 56 Ca 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 2g35 s ALA 56 Cb 0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2g35 s ALA 56 CO 0.13 -1.43 0.16 0.00 0.00 0.00 0.00 175.76 174.62 2g35 s ALA 57 N 2.33 3.90 0.06 0.00 0.00 -1.26 -2.15 121.76 124.64 2g35 s ALA 57 Ca 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2g35 s ALA 57 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2g35 s ALA 57 CO -0.22 0.66 0.05 -1.12 0.00 0.00 0.00 175.76 175.13 2g35 s SER 58 N -1.34 0.33 0.00 0.00 0.01 -0.53 -4.92 113.70 107.25 2g35 s SER 58 Ca 0.19 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2g35 s SER 58 Cb -0.12 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2g35 s SER 58 CO 0.09 -0.62 0.52 -0.81 0.41 0.00 0.00 173.24 172.84 2g35 n PRO 59 N 0.20 0.00 -0.03 12.44 -0.04 -1.26 -2.83 135.00 143.47 2g35 n PRO 59 Ca -0.15 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2g35 n PRO 59 Cb 0.61 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 2g35 n PRO 59 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2g35 n LYS 60 N -1.02 0.27 -4.24 0.54 4.76 -1.26 -4.59 118.16 112.62 2g35 n LYS 60 Ca 0.00 0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.40 2g35 n LYS 60 Cb 0.00 -0.93 -0.10 0.00 -1.84 0.00 0.00 35.03 32.17 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2g35 s SER 61 N -5.63 0.65 -0.02 4.39 1.04 -1.13 -1.37 113.70 111.62 2g35 s SER 61 Ca -0.15 -1.45 0.08 0.00 0.48 0.00 0.00 55.95 54.91 2g35 s SER 61 Cb 0.02 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2g35 s SER 61 CO 0.22 -0.86 -0.25 0.12 0.98 0.00 0.00 173.24 173.45 2g35 s PHE 62 N -3.95 2.37 -0.05 5.02 5.36 -0.73 -1.45 117.98 124.54 2g35 s PHE 62 Ca 0.39 -0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 55.94 2g35 s PHE 62 Cb 0.06 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 41.26 2g35 s PHE 62 CO 0.15 -0.02 -0.01 0.99 -1.46 0.00 0.00 175.22 174.87 2g35 s THR 63 N -0.62 0.34 0.20 0.12 2.01 -0.91 -1.78 115.64 115.00 2g35 s THR 63 Ca 0.10 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.26 2g35 s THR 63 Cb -0.10 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2g35 s THR 63 CO -0.01 0.22 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.58 2g35 s LEU 64 N 1.52 3.00 -0.04 4.42 2.34 -0.79 -0.08 118.68 129.05 2g35 s LEU 64 Ca -0.02 -0.60 0.02 0.00 0.06 0.00 0.00 54.13 53.60 2g35 s LEU 64 Cb -0.13 -1.66 0.01 0.00 -0.56 0.00 0.00 46.19 43.85 2g35 s LEU 64 CO -0.03 0.09 -0.10 -1.81 -1.06 0.00 0.00 176.35 173.43 2g35 s ASP 65 N -2.97 1.47 0.00 1.48 1.11 0.21 -2.51 116.67 115.45 2g35 s ASP 65 Ca 0.26 -0.23 0.20 0.00 0.18 0.00 0.00 52.55 52.96 2g35 s ASP 65 Cb -0.08 -0.53 0.14 0.00 1.07 0.00 0.00 42.92 43.52 2g35 s ASP 65 CO 0.16 0.05 1.12 0.49 1.18 0.00 0.00 175.17 178.17 2g35 n PHE 66 N 3.54 0.00 -0.46 4.23 3.72 -1.26 0.28 117.46 127.50 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 39.07 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 1.15 1.21 3.46 1.37 0.00 -1.26 -4.46 105.19 106.67 2g35 n GLY 67 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2g35 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2g35 n ASP 68 N 0.00 5.00 -0.25 1.61 5.68 -1.26 -4.80 116.55 122.52 2g35 n ASP 68 Ca 0.00 -2.95 0.06 0.00 -0.50 0.00 0.00 54.79 51.41 2g35 n ASP 68 Cb 0.00 -1.67 0.19 0.00 -1.14 0.00 0.00 41.12 38.51 2g35 n ASP 68 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2g35 h TYR 69 N 7.24 0.33 0.24 2.11 3.20 -1.93 0.44 116.97 128.60 2g35 h TYR 69 Ca 0.41 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.32 2g35 h TYR 69 Cb 0.85 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2g35 h TYR 69 CO 1.30 -0.07 -0.30 -0.56 -1.64 0.00 0.00 178.16 176.89 2g35 h GLN 70 N 0.30 -0.57 -0.33 1.82 3.07 -2.04 -1.58 115.11 115.77 2g35 h GLN 70 Ca 0.43 0.04 -0.02 0.00 0.09 0.00 0.00 58.65 59.18 2g35 h GLN 70 Cb 0.73 0.13 -0.02 0.00 0.08 0.00 0.00 27.48 28.40 2g35 h GLN 70 CO -0.50 -0.38 0.10 0.22 0.09 0.00 0.00 178.83 178.36 2g35 h ASP 71 N -0.59 0.42 -4.69 0.06 1.82 -1.62 -3.48 116.42 108.34 2g35 h ASP 71 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2g35 h ASP 71 Cb 0.57 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2g35 h ASP 71 CO -0.10 0.42 0.00 0.61 -1.61 0.00 0.00 179.24 178.56 2g35 n GLY 72 N -1.17 0.29 3.89 -0.78 0.00 0.14 -5.00 105.19 102.56 2g35 n GLY 72 Ca 0.02 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.96 2.25 -0.23 1.61 2.02 -1.26 -4.79 117.35 114.98 2g35 s TYR 73 Ca 0.00 0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 57.25 2g35 s TYR 73 Cb 0.00 -3.75 0.07 0.00 -0.40 0.00 0.00 41.96 37.88 2g35 s TYR 73 CO 0.00 -2.28 0.03 -0.47 -1.57 0.00 0.00 175.55 171.26 2g35 s TYR 74 N -3.66 1.49 0.14 2.71 5.04 -1.05 -5.03 117.35 117.00 2g35 s TYR 74 Ca 0.67 -1.26 0.05 0.00 -2.44 0.00 0.00 57.07 54.10 2g35 s TYR 74 Cb -0.08 -1.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.88 2g35 s TYR 74 CO 0.51 -0.71 -0.12 0.45 -1.34 0.00 0.00 175.55 174.35 2g35 s SER 75 N 1.70 1.92 0.26 4.32 0.15 -1.26 -1.89 113.70 118.90 2g35 s SER 75 Ca 0.00 -0.93 -0.11 0.00 0.70 0.00 0.00 55.95 55.62 2g35 s SER 75 Cb -0.18 -0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 2g35 s SER 75 CO -0.12 -0.25 0.46 0.68 1.20 0.00 0.00 173.24 175.21 2g35 s VAL 76 N -2.82 0.00 0.16 4.45 -7.23 -0.73 -4.91 120.40 109.32 2g35 s VAL 76 Ca 0.14 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 2g35 s VAL 76 Cb -0.01 -2.30 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 2g35 s VAL 76 CO 0.02 0.00 1.01 -1.10 -0.31 0.00 0.00 175.10 174.72 2g35 s GLN 77 N -3.88 4.69 -0.20 4.82 -0.21 0.22 -1.78 119.66 123.32 2g35 s GLN 77 Ca 0.25 1.56 -0.04 0.00 0.02 0.00 0.00 55.36 57.14 2g35 s GLN 77 Cb -0.00 -3.32 0.10 0.00 1.00 0.00 0.00 33.01 30.79 2g35 s GLN 77 CO 0.11 0.23 0.34 0.95 -2.12 0.00 0.00 175.29 174.79 2g35 s THR 78 N -0.34 -0.53 0.05 -0.19 -4.23 -0.47 -2.32 115.64 107.61 2g35 s THR 78 Ca 0.46 0.04 0.32 0.00 -1.18 0.00 0.00 61.69 61.34 2g35 s THR 78 Cb -0.26 -0.68 0.35 0.00 1.34 0.00 0.00 72.50 73.25 2g35 s THR 78 CO 0.32 -0.05 1.97 0.74 -0.54 0.00 0.00 174.62 177.07 2g35 h THR 79 N 6.22 0.00 -0.72 3.99 2.02 -1.81 -3.03 112.91 119.58 2g35 h THR 79 Ca -0.17 -0.28 -0.34 0.00 0.77 0.00 0.00 66.41 66.39 2g35 h THR 79 Cb 1.14 1.16 -0.41 0.00 -1.74 0.00 0.00 68.15 68.30 2g35 h THR 79 CO 0.21 0.00 -1.08 -1.84 0.37 0.00 0.00 175.52 173.19 2g35 n GLU 80 N -2.80 1.92 0.00 6.66 0.00 -1.26 -4.74 120.64 120.42 2g35 n GLU 80 Ca -0.00 -3.59 0.00 0.00 0.00 0.00 0.00 57.16 53.57 2g35 n GLU 80 Cb 0.21 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 30.02 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2g35 n GLY 81 N -0.44 -0.31 0.22 -1.84 0.00 -1.15 -1.65 105.19 100.03 2g35 n GLY 81 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.47 -0.54 1.61 4.81 -1.89 -2.11 114.58 115.99 2g35 h GLU 82 Ca 0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2g35 h GLU 82 Cb 0.25 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 2g35 h GLU 82 CO 0.00 -0.20 0.12 1.96 -0.73 0.00 0.00 179.01 180.16 2g35 h GLN 83 N -1.05 0.26 -0.54 1.92 4.20 -1.73 1.19 115.11 119.37 2g35 h GLN 83 Ca -0.05 -0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.80 2g35 h GLN 83 Cb 0.48 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2g35 h GLN 83 CO 0.08 0.17 0.40 0.82 -0.67 0.00 0.00 178.83 179.63 2g35 h ILE 84 N 0.27 0.68 0.01 2.54 2.04 -1.58 1.63 117.51 123.10 2g35 h ILE 84 Ca 0.27 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.89 2g35 h ILE 84 Cb 0.37 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2g35 h ILE 84 CO -0.34 0.00 -1.30 0.00 0.00 0.00 0.00 178.15 176.51 2g35 h ALA 85 N 1.70 0.51 0.16 1.87 0.00 0.18 -2.25 119.26 121.42 2g35 h ALA 85 Ca 0.25 -1.13 -0.30 0.00 0.00 0.00 0.00 54.91 53.73 2g35 h ALA 85 Cb 1.06 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.98 2g35 h ALA 85 CO -0.00 1.37 -1.30 0.37 0.00 0.00 0.00 179.25 179.69 2g35 h GLN 86 N 0.00 0.52 -0.45 0.00 4.15 0.54 0.72 115.11 120.60 2g35 h GLN 86 Ca -0.13 -0.77 -0.12 0.00 0.77 0.00 0.00 58.65 58.40 2g35 h GLN 86 Cb 1.88 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 29.82 2g35 h GLN 86 CO 0.11 1.35 -0.21 1.25 -1.93 0.00 0.00 178.83 179.41 2g35 h LEU 87 N 0.20 0.91 0.10 -2.39 5.85 0.20 0.26 115.31 120.44 2g35 h LEU 87 Ca -0.19 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2g35 h LEU 87 Cb 1.98 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2g35 h LEU 87 CO 0.24 1.09 -0.05 0.40 -0.34 0.00 0.00 178.44 179.78 2g35 h ILE 88 N 0.78 1.06 0.00 4.05 1.08 -1.40 -2.16 117.51 120.91 2g35 h ILE 88 Ca 0.11 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2g35 h ILE 88 Cb 0.75 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2g35 h ILE 88 CO 0.06 0.28 0.00 0.00 -0.69 0.00 0.00 178.15 177.80 2g35 h ALA 89 N -0.13 1.00 0.00 1.87 0.00 0.52 0.13 119.26 122.64 2g35 h ALA 89 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2g35 h ALA 89 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2g35 h ALA 89 CO 0.02 0.00 -1.20 0.78 0.00 0.00 0.00 179.25 178.86 2g35 h GLY 90 N 0.04 0.00 1.58 0.00 0.00 -0.32 -3.31 103.07 101.07 2g35 h GLY 90 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2g35 h GLY 90 CO 0.00 0.00 -1.01 -0.97 0.00 0.00 0.00 176.54 174.56 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.32 -3.27 116.97 119.03 2g35 h TYR 91 Ca -0.12 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.62 2g35 h TYR 91 Cb 1.50 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.23 2g35 h TYR 91 CO 0.00 0.68 -0.21 0.82 -1.05 0.00 0.00 178.16 178.40 2g35 h ILE 92 N 0.00 0.44 0.00 -2.88 2.04 -1.52 -2.95 117.51 112.64 2g35 h ILE 92 Ca -0.08 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 2g35 h ILE 92 Cb 1.59 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2g35 h ILE 92 CO 0.07 0.20 -0.52 0.44 0.00 0.00 0.00 178.15 178.35 2g35 h ASP 93 N 0.00 0.00 1.06 1.72 3.32 -1.64 -3.15 116.42 117.73 2g35 h ASP 93 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2g35 h ASP 93 Cb 0.88 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 2g35 h ASP 93 CO 0.03 0.04 -0.99 0.40 -1.72 0.00 0.00 179.24 177.00 2g35 h ILE 94 N 0.00 0.54 0.11 0.35 2.04 -1.58 -2.55 117.51 116.42 2g35 h ILE 94 Ca -0.01 -1.91 -0.29 0.00 1.00 0.00 0.00 64.86 63.66 2g35 h ILE 94 Cb 1.04 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2g35 h ILE 94 CO 0.00 0.31 -1.39 0.16 0.00 0.00 0.00 178.15 177.23 2g35 h ILE 95 N 0.00 1.31 0.00 -0.67 3.07 -1.61 -3.26 117.51 116.35 2g35 h ILE 95 Ca -0.08 -2.94 -0.07 0.00 1.55 0.00 0.00 64.86 63.32 2g35 h ILE 95 Cb 1.42 2.82 -0.01 0.00 -0.27 0.00 0.00 36.82 40.78 2g35 h ILE 95 CO 0.05 0.84 -0.32 -0.07 -1.05 0.00 0.00 178.15 177.59 2g35 h LEU 96 N 0.06 0.00 -0.88 0.16 3.38 -1.65 -3.21 115.31 113.17 2g35 h LEU 96 Ca -0.18 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2g35 h LEU 96 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 2g35 h LEU 96 CO 0.17 0.32 -0.19 0.50 0.09 0.00 0.00 178.44 179.33 2g35 h LYS 97 N 0.00 0.62 -0.17 1.13 3.11 -1.50 -2.30 116.57 117.46 2g35 h LYS 97 Ca -0.00 -0.22 -0.22 0.00 -2.81 0.00 0.00 60.65 57.40 2g35 h LYS 97 Cb 1.21 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 32.41 2g35 h LYS 97 CO 0.04 0.77 -0.75 0.87 -2.81 0.00 0.00 179.45 177.57 2g35 h LYS 98 N 0.55 0.78 -0.38 1.90 1.57 -1.61 -3.22 116.57 116.16 2g35 h LYS 98 Ca 0.09 -0.62 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2g35 h LYS 98 Cb 0.64 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2g35 h LYS 98 CO 0.05 1.23 0.22 0.87 -0.57 0.00 0.00 179.45 181.25 2g35 h LYS 99 N 0.54 0.52 -0.00 3.15 1.79 -1.53 -3.53 116.57 117.51 2g35 h LYS 99 Ca -0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2g35 h LYS 99 Cb 1.37 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2g35 h LYS 99 CO 0.15 0.40 0.00 1.63 -1.08 0.00 0.00 179.45 180.56