#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 0.60 -2.69 3.23 4.01 -1.26 -3.59 118.16 118.47 2g35 n LYS 2 Ca 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.75 2g35 n LYS 2 Cb 0.00 -1.16 0.10 0.00 -0.51 0.00 0.00 35.03 33.47 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 -0.14 0.00 -3.61 -0.18 5.66 -1.26 -4.95 114.28 109.79 2g35 n THR 3 Ca 0.00 -0.99 -0.36 0.00 -3.05 0.00 0.00 64.05 59.64 2g35 n THR 3 Cb 0.08 1.24 -0.08 0.00 -1.55 0.00 0.00 70.33 70.02 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 0.13 3.41 0.00 1.09 6.14 -1.24 -4.07 117.35 122.82 2g35 s TYR 4 Ca 0.21 0.44 0.00 0.00 0.64 0.00 0.00 57.07 58.36 2g35 s TYR 4 Cb 0.29 -2.28 0.00 0.00 0.42 0.00 0.00 41.96 40.39 2g35 s TYR 4 CO -0.14 0.21 0.00 0.41 0.64 0.00 0.00 175.55 176.67 2g35 n GLY 5 N 3.63 0.50 3.85 8.97 0.00 -1.26 -5.02 105.19 115.86 2g35 n GLY 5 Ca -0.14 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 5.19 -0.43 1.61 1.01 -1.26 -5.04 120.40 119.48 2g35 s VAL 6 Ca 0.00 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 2g35 s VAL 6 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2g35 s VAL 6 CO 0.00 0.56 0.94 -0.44 0.00 0.00 0.00 175.10 176.16 2g35 s SER 7 N -1.14 6.57 0.16 3.32 0.01 -1.24 -4.84 113.70 116.53 2g35 s SER 7 Ca 0.22 0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.64 2g35 s SER 7 Cb -0.15 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2g35 s SER 7 CO 0.11 -0.99 0.58 0.72 0.41 0.00 0.00 173.24 174.06 2g35 s PHE 8 N 3.70 3.61 -0.05 2.43 -0.12 -1.26 -1.16 117.98 125.15 2g35 s PHE 8 Ca 0.38 1.11 0.04 0.00 -0.05 0.00 0.00 56.93 58.41 2g35 s PHE 8 Cb -0.11 -2.41 0.00 0.00 -0.63 0.00 0.00 43.02 39.88 2g35 s PHE 8 CO 0.24 0.42 -0.15 -0.06 -0.05 0.00 0.00 175.22 175.61 2g35 s PHE 9 N -1.47 1.59 -0.50 3.49 0.40 -0.65 -4.78 117.98 116.05 2g35 s PHE 9 Ca 0.38 -0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 55.94 2g35 s PHE 9 Cb -0.15 -1.09 0.02 0.00 0.51 0.00 0.00 43.02 42.31 2g35 s PHE 9 CO 0.19 -0.19 1.31 -1.17 0.70 0.00 0.00 175.22 176.07 2g35 s LEU 10 N 0.20 3.52 0.14 -0.37 2.96 -1.26 -1.22 118.68 122.64 2g35 s LEU 10 Ca -0.07 0.46 0.11 0.00 -0.22 0.00 0.00 54.13 54.41 2g35 s LEU 10 Cb -0.12 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2g35 s LEU 10 CO 0.03 -1.48 -0.25 0.68 -1.32 0.00 0.00 176.35 174.00 2g35 s VAL 11 N 5.31 2.19 -0.07 1.68 -7.23 0.68 -4.78 120.40 118.17 2g35 s VAL 11 Ca 0.52 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2g35 s VAL 11 Cb -0.10 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2g35 s VAL 11 CO 0.29 0.03 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.56 2g35 s LYS 12 N -2.15 2.91 0.28 4.82 1.02 -0.53 0.90 119.74 126.99 2g35 s LYS 12 Ca 0.14 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 55.75 2g35 s LYS 12 Cb -0.10 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 2g35 s LYS 12 CO 0.06 0.68 0.04 -1.21 -0.92 0.00 0.00 175.35 174.00 2g35 s GLU 13 N -1.01 2.37 -0.26 1.68 2.02 0.17 -0.07 118.70 123.60 2g35 s GLU 13 Ca 0.14 -1.40 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 2g35 s GLU 13 Cb -0.11 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 2g35 s GLU 13 CO 0.04 0.33 0.11 0.21 0.02 0.00 0.00 175.26 175.96 2g35 s LYS 14 N -3.72 3.71 0.59 1.61 2.47 -1.26 0.10 119.74 123.25 2g35 s LYS 14 Ca 0.32 -0.45 -0.17 0.00 -1.56 0.00 0.00 55.97 54.11 2g35 s LYS 14 Cb -0.06 -3.43 -0.03 0.00 -1.46 0.00 0.00 37.83 32.85 2g35 s LYS 14 CO 0.21 -0.20 1.12 -1.64 0.16 0.00 0.00 175.35 175.00 2g35 s MET 15 N 1.65 3.12 0.00 4.03 -1.94 -1.26 -4.87 119.30 120.03 2g35 s MET 15 Ca 0.06 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 34.70 2g35 s MET 15 CO 0.06 -1.01 0.00 1.63 -0.01 0.00 0.00 175.02 175.68 2g35 n LYS 16 N -1.80 0.00 0.00 2.03 4.01 -1.26 -3.04 118.16 118.10 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 -0.45 0.99 3.67 0.72 0.00 -1.26 -5.06 105.19 103.80 2g35 n GLY 17 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.21 1.83 0.00 1.61 4.76 -1.17 -4.71 118.16 120.28 2g35 n LYS 18 Ca 0.00 0.67 0.02 0.00 -2.87 0.00 0.00 58.31 56.13 2g35 n LYS 18 Cb 0.01 -2.43 0.12 0.00 -1.84 0.00 0.00 35.03 30.88 2g35 n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2g35 n ASN 19 N 4.79 0.00 -3.00 4.39 2.85 -1.26 -4.41 115.26 118.62 2g35 n ASN 19 Ca 0.21 0.14 -0.15 0.00 -0.11 0.00 0.00 54.58 54.67 2g35 n ASN 19 Cb 0.25 -0.22 0.12 0.00 1.24 0.00 0.00 39.78 41.16 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2g35 n LYS 20 N -1.22 -1.56 -4.11 1.20 3.00 -1.26 -5.05 118.16 109.15 2g35 n LYS 20 Ca 0.02 -0.93 -0.10 0.00 -0.00 0.00 0.00 58.31 57.30 2g35 n LYS 20 Cb 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 35.03 34.19 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 2.44 -0.21 3.14 1.43 -1.26 -4.30 118.68 119.91 2g35 s LEU 21 Ca 0.36 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2g35 s LEU 21 Cb -0.03 -0.00 0.04 0.00 0.03 0.00 0.00 46.19 46.23 2g35 s LEU 21 CO 0.27 -0.44 -0.14 -0.69 0.23 0.00 0.00 176.35 175.58 2g35 s VAL 22 N -3.14 1.96 0.66 -1.59 1.01 0.29 -4.88 120.40 114.71 2g35 s VAL 22 Ca 0.04 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 2g35 s VAL 22 Cb 0.02 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2g35 s VAL 22 CO -0.05 0.22 1.13 -2.65 0.00 0.00 0.00 175.10 173.75 2g35 n PRO 23 N 4.58 0.89 -3.68 2.72 -0.02 -1.26 0.44 135.00 138.66 2g35 n PRO 23 Ca -0.16 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 2g35 n PRO 23 Cb 0.46 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 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 -3.22 0.72 -0.14 -0.52 6.06 0.26 -3.96 118.95 118.14 2g35 s ARG 24 Ca 0.79 0.27 -0.05 0.00 -2.50 0.00 0.00 55.73 54.23 2g35 s ARG 24 Cb -0.38 0.34 -0.04 0.00 0.06 0.00 0.00 34.95 34.93 2g35 s ARG 24 CO 0.44 -0.17 0.05 -0.51 -2.50 0.00 0.00 175.30 172.61 2g35 s LEU 25 N -0.65 3.77 -0.31 -0.88 1.43 0.33 -0.23 118.68 122.13 2g35 s LEU 25 Ca -0.07 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2g35 s LEU 25 Cb -0.03 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2g35 s LEU 25 CO 0.04 0.26 0.01 -0.22 0.23 0.00 0.00 176.35 176.68 2g35 s LEU 26 N -0.16 4.04 -0.21 1.79 2.96 -0.36 -0.61 118.68 126.14 2g35 s LEU 26 Ca 0.07 -1.40 -0.29 0.00 -0.22 0.00 0.00 54.13 52.29 2g35 s LEU 26 Cb -0.12 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.86 2g35 s LEU 26 CO 0.01 -0.29 1.01 -0.83 -1.32 0.00 0.00 176.35 174.93 2g35 s GLY 27 N 1.29 1.84 -0.36 7.98 0.00 0.25 -1.64 107.32 116.66 2g35 s GLY 27 Ca -0.03 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 2g35 s GLY 27 CO -0.02 2.09 0.20 -0.42 0.00 0.00 0.00 173.10 174.95 2g35 s ILE 28 N 2.91 4.65 0.50 0.90 1.09 -0.30 0.28 121.20 131.23 2g35 s ILE 28 Ca 0.44 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 59.28 2g35 s ILE 28 Cb -0.16 -3.55 0.03 0.00 -1.06 0.00 0.00 42.46 37.72 2g35 s ILE 28 CO 0.09 -0.18 0.70 -0.89 -0.10 0.00 0.00 174.94 174.55 2g35 s THR 29 N 1.58 2.77 -1.10 2.92 2.01 0.57 -3.72 115.64 120.68 2g35 s THR 29 Ca 0.03 -0.81 0.21 0.00 0.31 0.00 0.00 61.69 61.43 2g35 s THR 29 Cb -0.19 -2.96 0.22 0.00 0.01 0.00 0.00 72.50 69.59 2g35 s THR 29 CO 0.07 0.00 1.69 2.29 -0.69 0.00 0.00 174.62 177.98 2g35 n LYS 30 N -2.15 0.07 0.00 4.92 2.85 -1.26 -3.44 118.16 119.15 2g35 n LYS 30 Ca 0.08 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 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 -1.45 0.04 -3.60 -1.58 1.02 -1.26 -4.89 120.64 108.92 2g35 n GLU 31 Ca 0.06 -0.36 -0.04 0.00 -0.02 0.00 0.00 57.16 56.81 2g35 n GLU 31 Cb 0.23 -0.51 -0.02 0.00 -0.02 0.00 0.00 31.44 31.13 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 -2.73 3.17 -0.08 0.00 1.01 -0.08 0.21 120.40 121.90 2g35 s VAL 33 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2g35 s VAL 33 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2g35 s VAL 33 CO -0.05 0.53 0.07 -0.04 0.00 0.00 0.00 175.10 175.61 2g35 s MET 34 N 0.24 3.15 -0.17 2.72 1.00 0.79 -0.33 119.30 126.70 2g35 s MET 34 Ca -0.08 -0.33 -0.17 0.00 0.00 0.00 0.00 55.69 55.11 2g35 s MET 34 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 34.83 31.70 2g35 s MET 34 CO 0.05 0.72 0.45 1.03 0.00 0.00 0.00 175.02 177.26 2g35 s ARG 35 N -1.13 4.24 -0.05 2.03 0.52 0.67 -0.59 118.95 124.65 2g35 s ARG 35 Ca 0.16 0.33 -0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2g35 s ARG 35 Cb -0.12 -3.50 0.03 0.00 0.52 0.00 0.00 34.95 31.88 2g35 s ARG 35 CO 0.06 0.02 -0.00 0.08 0.02 0.00 0.00 175.30 175.47 2g35 s VAL 36 N 1.09 0.30 0.51 3.52 1.01 0.22 -0.33 120.40 126.72 2g35 s VAL 36 Ca 0.22 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 2g35 s VAL 36 Cb -0.15 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 2g35 s VAL 36 CO 0.09 0.20 1.16 -0.62 0.00 0.00 0.00 175.10 175.92 2g35 s ASP 37 N 1.37 5.84 0.22 3.32 -1.08 -0.68 0.12 116.67 125.78 2g35 s ASP 37 Ca -0.05 2.26 0.22 0.00 -0.52 0.00 0.00 52.55 54.47 2g35 s ASP 37 Cb -0.13 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 2g35 s ASP 37 CO -0.02 -1.14 1.08 -0.08 0.52 0.00 0.00 175.17 175.53 2g35 h GLU 38 N 1.52 0.00 0.05 4.34 4.22 -1.87 0.69 114.58 123.53 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 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2g35 h GLU 38 CO 0.58 0.03 -0.02 -0.22 -2.18 0.00 0.00 179.01 177.19 2g35 h LYS 39 N 0.00 -0.07 -0.02 1.92 3.64 -1.91 -3.36 116.57 116.78 2g35 h LYS 39 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2g35 h LYS 39 Cb 1.05 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2g35 h LYS 39 CO 0.00 0.54 -0.14 0.25 -2.27 0.00 0.00 179.45 177.84 2g35 n THR 40 N -4.76 0.00 -1.20 1.00 -2.24 -1.26 -4.93 114.28 100.88 2g35 n THR 40 Ca -0.08 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 2g35 n THR 40 Cb 0.31 1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.77 -1.32 -3.04 -0.78 5.02 0.23 -4.89 118.16 114.16 2g35 n LYS 41 Ca 0.11 0.56 -0.24 0.00 -2.02 0.00 0.00 58.31 56.72 2g35 n LYS 41 Cb 0.49 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.83 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 -2.65 3.23 -0.19 1.97 2.56 -1.25 -4.78 118.70 117.59 2g35 s GLU 42 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 54.97 54.42 2g35 s GLU 42 Cb 0.00 -2.56 -0.03 0.00 2.00 0.00 0.00 34.13 33.54 2g35 s GLU 42 CO 0.00 -0.16 0.58 0.08 -0.56 0.00 0.00 175.26 175.20 2g35 s VAL 43 N -2.52 5.06 -0.09 3.70 1.01 -1.26 -1.68 120.40 124.62 2g35 s VAL 43 Ca 0.46 1.08 0.19 0.00 0.00 0.00 0.00 61.98 63.71 2g35 s VAL 43 Cb -0.10 -3.90 -0.29 0.00 0.00 0.00 0.00 36.38 32.09 2g35 s VAL 43 CO 0.38 0.15 0.31 -0.38 0.00 0.00 0.00 175.10 175.56 2g35 n ILE 44 N 4.59 0.50 -3.63 2.22 2.08 0.55 -4.97 119.36 120.69 2g35 n ILE 44 Ca -0.03 -0.60 -0.04 0.00 0.56 0.00 0.00 62.75 62.64 2g35 n ILE 44 Cb 0.50 -0.17 -0.01 0.00 -0.75 0.00 0.00 39.64 39.21 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 -3.07 0.77 0.05 0.38 0.74 -1.21 -4.95 119.66 112.37 2g35 s GLN 45 Ca -0.08 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 54.94 2g35 s GLN 45 Cb 0.10 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.47 2g35 s GLN 45 CO 0.83 -0.35 -0.02 -1.21 -0.55 0.00 0.00 175.29 173.99 2g35 s GLU 46 N -2.90 0.58 0.03 1.67 2.02 -1.26 0.24 118.70 119.09 2g35 s GLU 46 Ca 0.10 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 2g35 s GLU 46 Cb 0.00 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 2g35 s GLU 46 CO -0.03 -0.11 -0.02 -1.58 0.02 0.00 0.00 175.26 173.54 2g35 s TRP 47 N -3.64 0.36 0.16 1.61 0.51 0.55 -4.94 118.94 113.54 2g35 s TRP 47 Ca 0.04 -0.74 -0.20 0.00 -2.12 0.00 0.00 56.10 53.08 2g35 s TRP 47 Cb 0.06 -0.27 -0.08 0.00 -0.81 0.00 0.00 33.47 32.38 2g35 s TRP 47 CO -0.09 -0.28 0.67 -1.54 -0.51 0.00 0.00 176.95 175.20 2g35 s SER 48 N -2.08 7.11 0.32 2.95 1.04 -1.26 -0.91 113.70 120.87 2g35 s SER 48 Ca -0.06 1.38 0.12 0.00 0.48 0.00 0.00 55.95 57.87 2g35 s SER 48 Cb -0.02 -2.40 0.54 0.00 0.10 0.00 0.00 66.02 64.24 2g35 s SER 48 CO -0.05 0.15 1.72 -0.07 0.98 0.00 0.00 173.24 175.97 2g35 h LEU 49 N 3.97 0.00 0.00 2.42 3.38 -1.52 -2.25 115.31 121.31 2g35 h LEU 49 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 0.49 0.00 0.35 0.09 0.00 0.00 178.44 180.02 2g35 n THR 50 N -3.92 0.34 -0.03 0.22 -2.24 -1.26 -2.78 114.28 104.60 2g35 n THR 50 Ca -0.01 0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2g35 n THR 50 Cb 0.51 -0.75 -0.14 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.26 1.12 -4.60 3.42 5.03 -0.85 -4.85 115.26 113.28 2g35 n ASN 51 Ca 0.10 0.26 -0.46 0.00 0.87 0.00 0.00 54.58 55.36 2g35 n ASN 51 Cb 0.15 -0.12 -0.04 0.00 -1.02 0.00 0.00 39.78 38.76 2g35 n ASN 51 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2g35 n ILE 52 N -3.12 0.45 -0.09 2.41 5.41 -1.12 -4.24 119.36 119.06 2g35 n ILE 52 Ca -0.25 -0.28 -0.19 0.00 1.00 0.00 0.00 62.75 63.04 2g35 n ILE 52 Cb 1.06 -2.17 -0.12 0.00 -0.71 0.00 0.00 39.64 37.70 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 12.31 0.01 -3.94 0.38 3.64 0.24 -3.48 116.57 125.72 2g35 h LYS 53 Ca -0.42 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 58.73 2g35 h LYS 53 Cb 1.26 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 2g35 h LYS 53 CO 0.97 1.01 -0.14 -0.98 -2.27 0.00 0.00 179.45 178.04 2g35 s ARG 54 N -2.31 1.89 0.28 1.90 1.70 -1.24 -4.98 118.95 116.20 2g35 s ARG 54 Ca -0.24 -1.66 -0.19 0.00 -0.47 0.00 0.00 55.73 53.17 2g35 s ARG 54 Cb 0.02 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 2g35 s ARG 54 CO 0.64 -0.80 0.67 1.67 -1.08 0.00 0.00 175.30 176.40 2g35 s TRP 55 N -3.10 -0.05 -0.16 5.89 -2.14 -1.26 -1.31 118.94 116.80 2g35 s TRP 55 Ca 0.28 -0.40 -0.05 0.00 2.66 0.00 0.00 56.10 58.59 2g35 s TRP 55 Cb -0.01 0.60 0.08 0.00 -3.10 0.00 0.00 33.47 31.04 2g35 s TRP 55 CO 0.18 -1.21 0.31 0.00 -2.66 0.00 0.00 176.95 173.57 2g35 s ALA 56 N -3.84 -0.73 -0.49 2.67 0.00 -0.63 -4.95 121.76 113.78 2g35 s ALA 56 Ca 0.14 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 2g35 s ALA 56 Cb -0.05 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 21.99 2g35 s ALA 56 CO 0.08 -0.75 0.46 0.00 0.00 0.00 0.00 175.76 175.54 2g35 s ALA 57 N 2.48 3.55 0.50 0.00 0.00 -1.26 -1.52 121.76 125.50 2g35 s ALA 57 Ca 0.02 -2.14 -0.05 0.00 0.00 0.00 0.00 51.96 49.78 2g35 s ALA 57 Cb -0.12 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2g35 s ALA 57 CO -0.10 -1.84 0.80 -1.12 0.00 0.00 0.00 175.76 173.50 2g35 s SER 58 N 2.83 6.18 0.00 0.00 0.01 0.22 -4.79 113.70 118.16 2g35 s SER 58 Ca 0.06 0.91 0.01 0.00 1.31 0.00 0.00 55.95 58.24 2g35 s SER 58 Cb -0.25 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 63.83 2g35 s SER 58 CO 0.07 -0.64 0.39 -0.81 0.41 0.00 0.00 173.24 172.65 2g35 n PRO 59 N -2.31 0.03 0.00 12.44 -0.04 -1.26 -2.56 135.00 141.30 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 0.55 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.40 -3.91 0.54 2.85 -1.21 -4.71 118.16 111.28 2g35 n LYS 60 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2g35 n LYS 60 Cb 0.00 -0.03 -0.07 0.00 -0.65 0.00 0.00 35.03 34.28 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 0.00 0.05 -0.00 -5.58 0.15 -1.04 0.28 113.70 107.56 2g35 s SER 61 Ca 0.00 -0.77 0.06 0.00 0.70 0.00 0.00 55.95 55.94 2g35 s SER 61 Cb 0.00 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2g35 s SER 61 CO 0.00 -0.84 -0.19 0.12 1.20 0.00 0.00 173.24 173.53 2g35 s PHE 62 N -3.92 1.71 0.06 3.44 5.36 -0.61 0.73 117.98 124.74 2g35 s PHE 62 Ca 0.12 -0.33 0.04 0.00 -0.96 0.00 0.00 56.93 55.80 2g35 s PHE 62 Cb 0.04 -1.08 -0.03 0.00 -0.34 0.00 0.00 43.02 41.61 2g35 s PHE 62 CO -0.04 -0.00 -0.11 0.99 -1.46 0.00 0.00 175.22 174.59 2g35 s THR 63 N -0.53 0.87 0.05 0.12 2.01 -0.58 -1.87 115.64 115.71 2g35 s THR 63 Ca 0.07 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 60.86 2g35 s THR 63 Cb -0.08 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2g35 s THR 63 CO -0.00 -0.26 0.06 -1.48 -0.69 0.00 0.00 174.62 172.25 2g35 s LEU 64 N -1.60 1.98 -0.04 4.42 2.34 -1.11 -1.61 118.68 123.05 2g35 s LEU 64 Ca -0.05 -0.68 0.02 0.00 0.06 0.00 0.00 54.13 53.49 2g35 s LEU 64 Cb -0.10 0.51 0.01 0.00 -0.56 0.00 0.00 46.19 46.05 2g35 s LEU 64 CO 0.01 -0.55 -0.11 -0.62 -1.06 0.00 0.00 176.35 174.03 2g35 s ASP 65 N -2.40 1.50 0.00 1.48 2.15 -0.43 -2.41 116.67 116.56 2g35 s ASP 65 Ca -0.01 -0.24 0.25 0.00 0.43 0.00 0.00 52.55 52.97 2g35 s ASP 65 Cb 0.02 -0.56 0.31 0.00 -0.30 0.00 0.00 42.92 42.39 2g35 s ASP 65 CO -0.07 0.05 1.33 0.49 -0.17 0.00 0.00 175.17 176.80 2g35 n PHE 66 N 3.57 0.00 -0.10 -5.34 3.72 -1.26 0.22 117.46 118.27 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 1.33 2.65 3.52 1.37 0.00 -1.26 -4.69 105.19 108.12 2g35 n GLY 67 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.80 6.56 0.27 1.61 1.01 -1.26 -4.85 116.67 116.20 2g35 s ASP 68 Ca 0.00 -1.69 -0.04 0.00 0.71 0.00 0.00 52.55 51.53 2g35 s ASP 68 Cb 0.00 -2.51 0.55 0.00 1.01 0.00 0.00 42.92 41.96 2g35 s ASP 68 CO 0.00 -1.35 1.62 0.22 0.21 0.00 0.00 175.17 175.88 2g35 h TYR 69 N 9.39 0.00 -0.66 4.23 3.20 -1.91 0.35 116.97 131.57 2g35 h TYR 69 Ca 0.20 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.25 2g35 h TYR 69 Cb 1.01 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 39.32 2g35 h TYR 69 CO 1.25 -0.28 0.15 -0.56 -1.64 0.00 0.00 178.16 177.08 2g35 h GLN 70 N 0.10 0.26 -0.13 1.82 3.07 -2.02 -1.78 115.11 116.43 2g35 h GLN 70 Ca 0.48 -0.02 -0.11 0.00 0.09 0.00 0.00 58.65 59.09 2g35 h GLN 70 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.39 2g35 h GLN 70 CO -0.73 0.17 -0.36 0.22 0.09 0.00 0.00 178.83 178.23 2g35 h ASP 71 N 0.27 0.53 -4.33 0.06 1.82 -0.82 -3.49 116.42 110.46 2g35 h ASP 71 Ca 0.35 -0.59 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 2g35 h ASP 71 Cb 0.56 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2g35 h ASP 71 CO -0.44 1.03 0.00 0.61 -1.61 0.00 0.00 179.24 178.83 2g35 n GLY 72 N 0.54 -2.61 3.86 -0.78 0.00 0.14 -4.93 105.19 101.41 2g35 n GLY 72 Ca -0.07 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.63 3.59 -0.24 1.61 2.02 -1.26 -4.58 117.35 117.86 2g35 s TYR 73 Ca 0.00 1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 58.00 2g35 s TYR 73 Cb 0.00 -2.73 0.07 0.00 -0.40 0.00 0.00 41.96 38.90 2g35 s TYR 73 CO 0.00 -0.67 0.04 -0.47 -1.57 0.00 0.00 175.55 172.88 2g35 s TYR 74 N -3.11 1.50 0.26 2.71 5.04 -1.01 -5.00 117.35 117.74 2g35 s TYR 74 Ca 0.56 -1.31 0.09 0.00 -2.44 0.00 0.00 57.07 53.96 2g35 s TYR 74 Cb -0.11 -1.36 -0.05 0.00 0.35 0.00 0.00 41.96 40.79 2g35 s TYR 74 CO 0.51 -0.73 -0.14 -1.54 -1.34 0.00 0.00 175.55 172.31 2g35 s SER 75 N 1.69 3.07 0.27 4.32 1.04 -1.26 -2.77 113.70 120.07 2g35 s SER 75 Ca 0.02 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.26 2g35 s SER 75 Cb -0.17 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 2g35 s SER 75 CO -0.13 -0.13 0.49 0.68 0.98 0.00 0.00 173.24 175.12 2g35 s VAL 76 N -2.79 0.00 0.22 5.02 -7.23 -0.78 -4.99 120.40 109.85 2g35 s VAL 76 Ca 0.27 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2g35 s VAL 76 Cb -0.01 -2.31 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 2g35 s VAL 76 CO 0.12 0.00 0.99 -1.10 -0.31 0.00 0.00 175.10 174.79 2g35 s GLN 77 N -3.78 4.77 -0.17 4.82 -1.52 0.90 -1.58 119.66 123.10 2g35 s GLN 77 Ca 0.24 1.56 -0.06 0.00 -1.95 0.00 0.00 55.36 55.14 2g35 s GLN 77 Cb -0.01 -3.28 0.08 0.00 -0.22 0.00 0.00 33.01 29.58 2g35 s GLN 77 CO 0.11 0.37 0.36 0.95 -0.25 0.00 0.00 175.29 176.83 2g35 s THR 78 N -0.88 -0.49 0.06 -0.19 -4.23 0.79 -1.45 115.64 109.25 2g35 s THR 78 Ca 0.43 0.20 0.33 0.00 -1.18 0.00 0.00 61.69 61.47 2g35 s THR 78 Cb -0.27 -0.58 0.37 0.00 1.34 0.00 0.00 72.50 73.36 2g35 s THR 78 CO 0.33 0.08 1.98 0.74 -0.54 0.00 0.00 174.62 177.22 2g35 h THR 79 N 6.15 0.00 -0.62 3.99 2.02 -1.85 -2.74 112.91 119.85 2g35 h THR 79 Ca -0.18 -0.37 -0.31 0.00 0.77 0.00 0.00 66.41 66.32 2g35 h THR 79 Cb 1.12 1.31 -0.28 0.00 -1.74 0.00 0.00 68.15 68.56 2g35 h THR 79 CO 0.15 0.00 -0.80 -1.84 0.37 0.00 0.00 175.52 173.40 2g35 n GLU 80 N -2.90 1.13 0.00 6.66 0.28 -1.26 -4.68 120.64 119.87 2g35 n GLU 80 Ca 0.00 -2.58 0.00 0.00 -0.16 0.00 0.00 57.16 54.42 2g35 n GLU 80 Cb 0.25 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.31 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g35 n GLY 81 N -0.19 -0.34 0.38 -1.84 0.00 -1.24 -1.97 105.19 100.00 2g35 n GLY 81 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.91 -0.50 1.61 4.81 -1.86 -1.21 114.58 116.51 2g35 h GLU 82 Ca 0.00 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2g35 h GLU 82 Cb 0.24 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 2g35 h GLU 82 CO 0.00 -0.60 -0.01 1.96 -0.73 0.00 0.00 179.01 179.63 2g35 h GLN 83 N -0.97 0.10 -0.79 1.92 4.20 -1.81 1.08 115.11 118.84 2g35 h GLN 83 Ca -0.10 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.82 2g35 h GLN 83 Cb 0.73 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2g35 h GLN 83 CO 0.16 0.07 0.55 0.82 -0.67 0.00 0.00 178.83 179.76 2g35 h ILE 84 N 0.10 0.64 0.00 2.54 2.04 -1.60 1.32 117.51 122.55 2g35 h ILE 84 Ca 0.25 -0.03 -0.22 0.00 1.00 0.00 0.00 64.86 65.86 2g35 h ILE 84 Cb 0.38 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2g35 h ILE 84 CO -0.43 0.02 -1.23 0.00 0.00 0.00 0.00 178.15 176.51 2g35 h ALA 85 N 1.62 0.56 0.18 1.87 0.00 0.21 -2.54 119.26 121.17 2g35 h ALA 85 Ca 0.38 -1.04 -0.30 0.00 0.00 0.00 0.00 54.91 53.95 2g35 h ALA 85 Cb 1.36 0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.29 2g35 h ALA 85 CO -0.04 1.26 -1.33 0.37 0.00 0.00 0.00 179.25 179.50 2g35 h GLN 86 N 0.00 0.43 -0.34 0.00 4.15 0.55 0.40 115.11 120.30 2g35 h GLN 86 Ca -0.12 -0.70 -0.17 0.00 0.77 0.00 0.00 58.65 58.43 2g35 h GLN 86 Cb 1.79 0.26 -0.00 0.00 0.21 0.00 0.00 27.48 29.73 2g35 h GLN 86 CO 0.10 1.33 -0.44 1.25 -1.93 0.00 0.00 178.83 179.13 2g35 h LEU 87 N 0.13 0.98 -0.02 -2.39 5.85 0.13 -0.45 115.31 119.53 2g35 h LEU 87 Ca -0.19 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 57.99 2g35 h LEU 87 Cb 2.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2g35 h LEU 87 CO 0.24 1.28 -0.17 0.40 -0.34 0.00 0.00 178.44 179.85 2g35 h ILE 88 N 0.70 1.51 0.00 4.05 2.04 -1.50 -2.53 117.51 121.80 2g35 h ILE 88 Ca 0.04 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2g35 h ILE 88 Cb 1.04 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2g35 h ILE 88 CO 0.10 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.73 2g35 h ALA 89 N 0.33 1.00 0.00 1.87 0.00 -0.20 -1.09 119.26 121.17 2g35 h ALA 89 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2g35 h ALA 89 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2g35 h ALA 89 CO 0.03 0.00 -1.30 0.78 0.00 0.00 0.00 179.25 178.77 2g35 h GLY 90 N 0.44 0.00 1.81 0.00 0.00 -0.87 -3.27 103.07 101.17 2g35 h GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g35 h GLY 90 CO 0.00 0.00 -0.16 -0.97 0.00 0.00 0.00 176.54 175.41 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.77 -3.15 116.97 118.69 2g35 h TYR 91 Ca -0.15 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.41 2g35 h TYR 91 Cb 1.74 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.45 2g35 h TYR 91 CO 0.00 0.00 -1.27 0.82 -1.05 0.00 0.00 178.16 176.66 2g35 h ILE 92 N 0.00 1.05 0.00 -2.88 2.04 -1.58 -3.20 117.51 112.94 2g35 h ILE 92 Ca 0.00 -2.72 -0.02 0.00 1.00 0.00 0.00 64.86 63.12 2g35 h ILE 92 Cb 0.80 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2g35 h ILE 92 CO 0.00 0.60 -0.55 0.44 0.00 0.00 0.00 178.15 178.64 2g35 h ASP 93 N 0.00 0.00 1.06 1.72 5.19 -1.60 -3.15 116.42 119.64 2g35 h ASP 93 Ca -0.14 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.15 2g35 h ASP 93 Cb 1.77 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.26 2g35 h ASP 93 CO 0.09 0.08 -0.99 0.40 -3.12 0.00 0.00 179.24 175.70 2g35 h ILE 94 N 0.00 0.53 0.06 0.35 2.04 -1.65 -2.45 117.51 116.40 2g35 h ILE 94 Ca -0.01 -1.90 -0.28 0.00 1.00 0.00 0.00 64.86 63.67 2g35 h ILE 94 Cb 1.07 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 2g35 h ILE 94 CO 0.01 0.30 -1.42 0.16 0.00 0.00 0.00 178.15 177.21 2g35 h ILE 95 N 0.00 1.25 0.00 -0.67 3.07 -1.64 -3.27 117.51 116.25 2g35 h ILE 95 Ca -0.08 -2.95 -0.19 0.00 1.55 0.00 0.00 64.86 63.18 2g35 h ILE 95 Cb 1.42 2.72 -0.03 0.00 -0.27 0.00 0.00 36.82 40.66 2g35 h ILE 95 CO 0.04 0.80 -1.11 -0.07 -1.05 0.00 0.00 178.15 176.76 2g35 h LEU 96 N 0.04 0.00 -0.52 0.16 3.38 -1.66 -3.25 115.31 113.46 2g35 h LEU 96 Ca -0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2g35 h LEU 96 Cb 1.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 2g35 h LEU 96 CO 0.14 0.80 -0.12 0.50 0.09 0.00 0.00 178.44 179.85 2g35 h LYS 97 N 0.00 1.00 -0.22 1.13 3.11 -1.55 -2.27 116.57 117.78 2g35 h LYS 97 Ca -0.10 -0.38 -0.10 0.00 -2.81 0.00 0.00 60.65 57.26 2g35 h LYS 97 Cb 1.70 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.85 2g35 h LYS 97 CO 0.09 1.06 -0.32 0.87 -2.81 0.00 0.00 179.45 178.34 2g35 h LYS 98 N 0.87 0.44 -0.23 1.90 1.79 -1.67 -3.05 116.57 116.63 2g35 h LYS 98 Ca 0.13 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2g35 h LYS 98 Cb 0.68 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2g35 h LYS 98 CO 0.05 0.71 0.01 -0.22 -1.08 0.00 0.00 179.45 178.92 2g35 h LYS 99 N 0.38 0.40 0.00 3.15 3.64 -1.53 -3.52 116.57 119.09 2g35 h LYS 99 Ca 0.05 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2g35 h LYS 99 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2g35 h LYS 99 CO 0.06 0.57 0.00 1.17 -2.27 0.00 0.00 179.45 178.98