#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 0.09 -2.70 3.23 4.01 -1.26 -2.14 118.16 119.39 2g35 n LYS 2 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 2g35 n LYS 2 Cb 0.00 -1.03 0.04 0.00 -0.51 0.00 0.00 35.03 33.53 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 0.02 1.04 -3.34 -0.18 5.66 -1.26 -4.89 114.28 111.33 2g35 n THR 3 Ca 0.00 -3.00 -0.38 0.00 -3.05 0.00 0.00 64.05 57.62 2g35 n THR 3 Cb 0.01 0.82 -0.07 0.00 -1.55 0.00 0.00 70.33 69.54 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 -3.23 3.40 -1.20 1.09 6.14 -0.91 -4.08 117.35 118.57 2g35 s TYR 4 Ca 0.27 0.71 -0.05 0.00 0.64 0.00 0.00 57.07 58.64 2g35 s TYR 4 Cb 0.43 -2.57 0.01 0.00 0.42 0.00 0.00 41.96 40.25 2g35 s TYR 4 CO 0.02 0.00 0.69 0.41 0.64 0.00 0.00 175.55 177.31 2g35 n GLY 5 N 3.77 -0.28 3.11 8.97 0.00 -1.26 -5.00 105.19 114.50 2g35 n GLY 5 Ca -0.07 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.14 1.21 -0.59 1.61 1.01 -1.26 -4.86 120.40 114.37 2g35 s VAL 6 Ca 0.34 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 2g35 s VAL 6 Cb -0.15 -1.02 0.11 0.00 0.00 0.00 0.00 36.38 35.32 2g35 s VAL 6 CO 0.42 0.35 0.69 -0.55 0.00 0.00 0.00 175.10 176.01 2g35 s SER 7 N -0.16 6.20 -0.23 3.32 0.15 -1.25 -4.86 113.70 116.86 2g35 s SER 7 Ca 0.02 -1.51 -0.27 0.00 0.70 0.00 0.00 55.95 54.89 2g35 s SER 7 Cb -0.08 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2g35 s SER 7 CO 0.00 -1.08 0.94 0.72 1.20 0.00 0.00 173.24 175.03 2g35 s PHE 8 N 2.52 3.33 -0.17 3.44 -0.71 -1.25 -2.44 117.98 122.70 2g35 s PHE 8 Ca 0.11 1.32 -0.08 0.00 -1.04 0.00 0.00 56.93 57.24 2g35 s PHE 8 Cb -0.24 -3.17 -0.04 0.00 -1.21 0.00 0.00 43.02 38.36 2g35 s PHE 8 CO 0.05 -0.44 0.08 -0.06 -1.34 0.00 0.00 175.22 173.51 2g35 s PHE 9 N 3.02 3.31 -0.62 3.49 0.40 -0.06 -4.73 117.98 122.79 2g35 s PHE 9 Ca 0.40 0.17 -0.28 0.00 -0.60 0.00 0.00 56.93 56.63 2g35 s PHE 9 Cb -0.15 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.34 2g35 s PHE 9 CO 0.07 0.26 1.32 -1.17 0.70 0.00 0.00 175.22 176.40 2g35 s LEU 10 N 0.15 3.35 0.16 -0.37 0.20 -1.26 -1.36 118.68 119.55 2g35 s LEU 10 Ca 0.06 0.03 0.09 0.00 0.69 0.00 0.00 54.13 55.00 2g35 s LEU 10 Cb -0.12 -2.94 -0.04 0.00 -0.43 0.00 0.00 46.19 42.66 2g35 s LEU 10 CO 0.00 -1.70 -0.13 0.68 -0.29 0.00 0.00 176.35 174.91 2g35 s VAL 11 N 5.72 3.03 0.10 1.68 -7.23 0.16 -4.81 120.40 119.05 2g35 s VAL 11 Ca 0.45 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2g35 s VAL 11 Cb -0.09 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2g35 s VAL 11 CO 0.22 -0.04 0.00 -0.54 -0.31 0.00 0.00 175.10 174.43 2g35 s LYS 12 N -2.60 2.54 0.29 4.82 1.02 -0.82 0.17 119.74 125.16 2g35 s LYS 12 Ca 0.22 -0.87 0.11 0.00 0.02 0.00 0.00 55.97 55.46 2g35 s LYS 12 Cb -0.09 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.64 2g35 s LYS 12 CO 0.13 0.53 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.71 2g35 s GLU 13 N -2.41 1.74 -0.38 1.68 2.02 0.14 -0.35 118.70 121.15 2g35 s GLU 13 Ca 0.26 -1.78 -0.07 0.00 0.02 0.00 0.00 54.97 53.40 2g35 s GLU 13 Cb -0.11 -1.78 0.06 0.00 0.10 0.00 0.00 34.13 32.39 2g35 s GLU 13 CO 0.18 0.30 0.17 0.15 0.02 0.00 0.00 175.26 176.08 2g35 s LYS 14 N -3.54 2.56 0.59 1.61 -0.14 -1.26 -0.13 119.74 119.43 2g35 s LYS 14 Ca 0.31 -1.34 -0.18 0.00 -1.36 0.00 0.00 55.97 53.40 2g35 s LYS 14 Cb -0.04 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.48 2g35 s LYS 14 CO 0.16 -0.81 1.13 -1.64 -0.76 0.00 0.00 175.35 173.42 2g35 s MET 15 N 1.39 3.14 0.00 1.68 -1.94 -1.26 -4.82 119.30 117.49 2g35 s MET 15 Ca 0.01 1.54 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 2g35 s MET 15 Cb -0.21 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.65 2g35 s MET 15 CO 0.02 -1.01 0.00 1.63 -0.01 0.00 0.00 175.02 175.65 2g35 n LYS 16 N -1.72 0.00 0.00 2.03 4.01 -1.26 -2.70 118.16 118.52 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 -0.12 0.93 3.66 0.72 0.00 -1.26 -5.08 105.19 104.03 2g35 n GLY 17 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 1.37 0.00 1.61 4.76 -1.10 -4.69 118.16 120.12 2g35 n LYS 18 Ca 0.00 0.50 0.01 0.00 -2.87 0.00 0.00 58.31 55.95 2g35 n LYS 18 Cb 0.26 -2.20 0.06 0.00 -1.84 0.00 0.00 35.03 31.32 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 4.27 0.00 -2.84 4.39 5.15 -1.26 -4.56 115.26 120.40 2g35 n ASN 19 Ca 0.22 0.26 -0.11 0.00 -0.60 0.00 0.00 54.58 54.34 2g35 n ASN 19 Cb 0.19 -0.29 0.08 0.00 -0.53 0.00 0.00 39.78 39.22 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2g35 n LYS 20 N -1.29 -0.33 -4.13 1.20 3.00 -1.26 -5.11 118.16 110.22 2g35 n LYS 20 Ca 0.01 -0.91 -0.11 0.00 -0.00 0.00 0.00 58.31 57.31 2g35 n LYS 20 Cb 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 35.03 34.45 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 2.45 -0.25 3.14 1.43 -1.26 -4.59 118.68 119.60 2g35 s LEU 21 Ca 0.30 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2g35 s LEU 21 Cb -0.01 -0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.19 2g35 s LEU 21 CO 0.21 -0.42 -0.10 -0.69 0.23 0.00 0.00 176.35 175.58 2g35 s VAL 22 N -3.10 2.38 0.63 -1.59 1.01 0.81 -4.88 120.40 115.66 2g35 s VAL 22 Ca 0.06 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 2g35 s VAL 22 Cb 0.02 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2g35 s VAL 22 CO -0.04 0.10 1.23 -2.65 0.00 0.00 0.00 175.10 173.74 2g35 n PRO 23 N 4.53 1.14 -3.66 2.72 -0.02 -1.26 0.26 135.00 138.71 2g35 n PRO 23 Ca -0.15 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 2g35 n PRO 23 Cb 0.44 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 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 -3.19 0.85 -0.07 -0.52 6.06 0.44 -4.09 118.95 118.44 2g35 s ARG 24 Ca 0.80 -0.06 -0.00 0.00 -2.50 0.00 0.00 55.73 53.97 2g35 s ARG 24 Cb -0.39 0.39 -0.03 0.00 0.06 0.00 0.00 34.95 34.97 2g35 s ARG 24 CO 0.43 -0.26 -0.03 -0.51 -2.50 0.00 0.00 175.30 172.42 2g35 s LEU 25 N -1.40 3.36 -0.25 -0.88 1.43 0.55 0.39 118.68 121.89 2g35 s LEU 25 Ca -0.11 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2g35 s LEU 25 Cb -0.03 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.48 2g35 s LEU 25 CO 0.05 0.36 -0.03 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N -0.94 2.63 -0.18 1.79 2.96 -0.47 -0.47 118.68 124.01 2g35 s LEU 26 Ca 0.14 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.57 2g35 s LEU 26 Cb -0.11 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2g35 s LEU 26 CO 0.03 -0.26 0.65 -0.83 -1.32 0.00 0.00 176.35 174.62 2g35 s GLY 27 N 1.40 2.13 -0.38 7.98 0.00 -0.35 -0.88 107.32 117.22 2g35 s GLY 27 Ca -0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 2g35 s GLY 27 CO -0.08 1.31 0.25 -0.42 0.00 0.00 0.00 173.10 174.16 2g35 s ILE 28 N 1.75 4.98 0.50 0.90 1.09 -1.02 0.28 121.20 129.68 2g35 s ILE 28 Ca 0.31 -0.63 0.03 0.00 -1.10 0.00 0.00 60.65 59.25 2g35 s ILE 28 Cb -0.16 -3.72 0.02 0.00 -1.06 0.00 0.00 42.46 37.54 2g35 s ILE 28 CO 0.11 -0.20 0.70 -0.89 -0.10 0.00 0.00 174.94 174.56 2g35 s THR 29 N 1.64 3.04 -0.53 2.92 2.01 0.37 -3.79 115.64 121.30 2g35 s THR 29 Ca 0.04 -0.72 0.25 0.00 0.31 0.00 0.00 61.69 61.57 2g35 s THR 29 Cb -0.19 -3.11 0.27 0.00 0.01 0.00 0.00 72.50 69.49 2g35 s THR 29 CO 0.09 -0.07 1.75 0.07 -0.69 0.00 0.00 174.62 175.77 2g35 h LYS 30 N 0.28 0.00 0.00 4.92 2.10 -1.95 -3.22 116.57 118.70 2g35 h LYS 30 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2g35 h LYS 30 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2g35 h LYS 30 CO 0.52 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.36 2g35 n GLU 31 N -2.32 0.09 -3.58 0.07 -0.58 -1.26 -4.83 120.64 108.23 2g35 n GLU 31 Ca 0.03 -0.50 -0.05 0.00 -0.42 0.00 0.00 57.16 56.22 2g35 n GLU 31 Cb 0.31 -0.77 -0.02 0.00 -0.57 0.00 0.00 31.44 30.38 2g35 n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2g35 s VAL 33 N -2.59 4.78 -0.09 0.00 1.01 -0.14 0.14 120.40 123.51 2g35 s VAL 33 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 2g35 s VAL 33 Cb -0.01 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2g35 s VAL 33 CO -0.06 0.52 0.08 -0.04 0.00 0.00 0.00 175.10 175.60 2g35 s MET 34 N -0.10 3.22 -0.16 2.72 1.00 0.79 -0.45 119.30 126.32 2g35 s MET 34 Ca 0.07 -0.28 -0.18 0.00 0.00 0.00 0.00 55.69 55.30 2g35 s MET 34 Cb -0.12 -2.99 -0.04 0.00 0.00 0.00 0.00 34.83 31.68 2g35 s MET 34 CO 0.01 0.74 0.47 1.03 0.00 0.00 0.00 175.02 177.27 2g35 s ARG 35 N -1.05 4.27 -0.05 2.03 0.52 0.76 -1.21 118.95 124.22 2g35 s ARG 35 Ca 0.15 0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 55.75 2g35 s ARG 35 Cb -0.12 -3.49 0.03 0.00 0.52 0.00 0.00 34.95 31.89 2g35 s ARG 35 CO 0.04 0.04 -0.01 0.08 0.02 0.00 0.00 175.30 175.48 2g35 s VAL 36 N 1.01 0.32 0.47 3.52 1.01 0.38 0.06 120.40 127.17 2g35 s VAL 36 Ca 0.24 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 2g35 s VAL 36 Cb -0.15 -0.42 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 2g35 s VAL 36 CO 0.09 0.20 1.08 -1.81 0.00 0.00 0.00 175.10 174.66 2g35 s ASP 37 N 1.33 6.29 0.24 3.32 1.01 -0.89 0.20 116.67 128.17 2g35 s ASP 37 Ca -0.05 2.05 0.23 0.00 0.71 0.00 0.00 52.55 55.49 2g35 s ASP 37 Cb -0.13 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.31 2g35 s ASP 37 CO -0.02 -0.82 1.17 -0.08 0.21 0.00 0.00 175.17 175.63 2g35 h GLU 38 N 1.77 0.00 0.09 8.23 4.22 -1.85 0.12 114.58 127.16 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2g35 h GLU 38 CO 0.59 0.00 -0.04 -0.22 -2.18 0.00 0.00 179.01 177.16 2g35 h LYS 39 N 0.00 -0.11 -0.01 1.92 3.64 -1.91 -3.35 116.57 116.75 2g35 h LYS 39 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2g35 h LYS 39 Cb 0.98 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2g35 h LYS 39 CO 0.00 0.41 -0.51 0.25 -2.27 0.00 0.00 179.45 177.33 2g35 n THR 40 N -4.82 0.00 -1.48 1.00 -2.24 -1.26 -4.93 114.28 100.55 2g35 n THR 40 Ca -0.07 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 2g35 n THR 40 Cb 0.28 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.19 -1.39 -3.63 -0.78 5.02 0.43 -4.90 118.16 112.71 2g35 n LYS 41 Ca 0.09 0.64 -0.20 0.00 -2.02 0.00 0.00 58.31 56.83 2g35 n LYS 41 Cb 0.45 -4.90 -0.01 0.00 -0.02 0.00 0.00 35.03 30.54 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 -3.24 3.14 -0.16 1.97 2.12 -1.25 -4.83 118.70 116.45 2g35 s GLU 42 Ca 0.00 -0.99 -0.24 0.00 0.36 0.00 0.00 54.97 54.10 2g35 s GLU 42 Cb 0.00 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 2g35 s GLU 42 CO 0.00 0.15 0.76 0.08 -0.54 0.00 0.00 175.26 175.71 2g35 s VAL 43 N -2.15 4.94 -0.11 3.70 1.01 -1.26 -2.10 120.40 124.43 2g35 s VAL 43 Ca 0.42 1.49 0.19 0.00 0.00 0.00 0.00 61.98 64.07 2g35 s VAL 43 Cb -0.09 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 2g35 s VAL 43 CO 0.30 0.08 0.25 -0.38 0.00 0.00 0.00 175.10 175.35 2g35 n ILE 44 N 4.60 0.67 -3.63 2.22 2.08 0.11 -4.97 119.36 120.44 2g35 n ILE 44 Ca 0.02 -0.64 -0.04 0.00 0.56 0.00 0.00 62.75 62.65 2g35 n ILE 44 Cb 0.49 -0.24 -0.01 0.00 -0.75 0.00 0.00 39.64 39.13 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 -2.93 0.76 0.08 0.38 0.74 -1.21 -4.95 119.66 112.53 2g35 s GLN 45 Ca -0.08 -0.37 -0.01 0.00 0.05 0.00 0.00 55.36 54.95 2g35 s GLN 45 Cb 0.09 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 2g35 s GLN 45 CO 0.82 -0.34 -0.01 -1.21 -0.55 0.00 0.00 175.29 173.99 2g35 s GLU 46 N -2.90 0.74 0.03 1.67 2.02 -1.26 0.27 118.70 119.27 2g35 s GLU 46 Ca 0.10 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2g35 s GLU 46 Cb 0.00 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 2g35 s GLU 46 CO -0.03 -0.13 -0.04 -1.58 0.02 0.00 0.00 175.26 173.49 2g35 s TRP 47 N -3.90 0.42 0.11 1.61 0.51 0.40 -4.94 118.94 113.16 2g35 s TRP 47 Ca 0.12 -0.65 -0.26 0.00 -2.12 0.00 0.00 56.10 53.20 2g35 s TRP 47 Cb 0.07 -0.28 -0.07 0.00 -0.81 0.00 0.00 33.47 32.38 2g35 s TRP 47 CO -0.06 -0.20 0.79 0.45 -0.51 0.00 0.00 176.95 177.42 2g35 s SER 48 N -1.84 7.33 0.51 2.95 0.15 -1.26 -0.96 113.70 120.57 2g35 s SER 48 Ca -0.09 1.59 0.24 0.00 0.70 0.00 0.00 55.95 58.39 2g35 s SER 48 Cb -0.06 -2.50 1.35 0.00 -1.71 0.00 0.00 66.02 63.10 2g35 s SER 48 CO -0.03 0.10 2.06 -0.07 1.20 0.00 0.00 173.24 176.50 2g35 h LEU 49 N 4.99 0.00 -0.00 3.45 3.38 -1.75 -0.29 115.31 125.09 2g35 h LEU 49 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2g35 h LEU 49 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2g35 h LEU 49 CO 0.69 0.13 -0.00 0.35 0.09 0.00 0.00 178.44 179.70 2g35 n THR 50 N -3.81 0.00 -0.00 0.22 -2.24 -1.26 -3.37 114.28 103.81 2g35 n THR 50 Ca -0.02 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 2g35 n THR 50 Cb 0.24 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 67.83 2g35 n THR 50 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2g35 h ASN 51 N 0.00 0.19 -2.20 3.42 -0.26 -1.43 -3.46 115.58 111.85 2g35 h ASN 51 Ca 0.00 -0.41 -0.59 0.00 -0.56 0.00 0.00 56.30 54.74 2g35 h ASN 51 Cb 0.34 -0.06 0.04 0.00 -1.06 0.00 0.00 38.32 37.58 2g35 h ASN 51 CO 0.00 1.36 0.91 -0.38 -1.06 0.00 0.00 177.43 178.26 2g35 n ILE 52 N -3.25 0.21 -0.11 2.81 5.41 -1.19 -4.45 119.36 118.79 2g35 n ILE 52 Ca -0.22 -0.04 -0.24 0.00 1.00 0.00 0.00 62.75 63.25 2g35 n ILE 52 Cb 1.05 -1.67 -0.11 0.00 -0.71 0.00 0.00 39.64 38.20 2g35 n ILE 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2g35 n LYS 53 N 4.58 0.58 -3.97 0.38 4.81 0.81 -4.94 118.16 120.40 2g35 n LYS 53 Ca 0.19 0.50 -0.12 0.00 -0.87 0.00 0.00 58.31 58.01 2g35 n LYS 53 Cb 0.29 -1.69 -0.02 0.00 0.02 0.00 0.00 35.03 33.63 2g35 n LYS 53 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2g35 s ARG 54 N -2.40 1.96 0.27 1.64 1.70 -1.23 -4.97 118.95 115.92 2g35 s ARG 54 Ca -0.31 -1.55 -0.19 0.00 -0.47 0.00 0.00 55.73 53.22 2g35 s ARG 54 Cb 0.08 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.99 2g35 s ARG 54 CO 0.58 -0.85 0.66 1.67 -1.08 0.00 0.00 175.30 176.27 2g35 s TRP 55 N -3.00 -0.05 -0.15 5.89 -2.14 -1.26 -0.81 118.94 117.43 2g35 s TRP 55 Ca 0.24 -0.39 -0.05 0.00 2.66 0.00 0.00 56.10 58.56 2g35 s TRP 55 Cb -0.02 0.57 0.07 0.00 -3.10 0.00 0.00 33.47 30.99 2g35 s TRP 55 CO 0.15 -1.17 0.30 0.00 -2.66 0.00 0.00 176.95 173.57 2g35 s ALA 56 N -3.94 -0.71 -0.37 2.67 0.00 -0.40 -4.96 121.76 114.04 2g35 s ALA 56 Ca 0.14 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 2g35 s ALA 56 Cb -0.05 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 2g35 s ALA 56 CO 0.07 -0.65 0.28 0.00 0.00 0.00 0.00 175.76 175.47 2g35 s ALA 57 N 2.41 3.49 0.39 0.00 0.00 -1.26 -1.56 121.76 125.23 2g35 s ALA 57 Ca -0.00 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2g35 s ALA 57 Cb -0.12 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 2g35 s ALA 57 CO -0.10 -1.19 0.60 -1.12 0.00 0.00 0.00 175.76 173.95 2g35 s SER 58 N 1.71 6.09 0.00 0.00 0.01 0.20 -4.84 113.70 116.88 2g35 s SER 58 Ca 0.07 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2g35 s SER 58 Cb -0.18 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2g35 s SER 58 CO 0.11 -0.47 0.34 -0.81 0.41 0.00 0.00 173.24 172.81 2g35 n PRO 59 N -1.91 0.00 0.00 12.44 -0.04 -1.26 -2.96 135.00 141.27 2g35 n PRO 59 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2g35 n PRO 59 Cb 0.57 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.83 2.03 -4.36 0.54 2.85 -1.24 -4.82 118.16 112.33 2g35 n LYS 60 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 2g35 n LYS 60 Cb 0.00 -0.17 -0.10 0.00 -0.65 0.00 0.00 35.03 34.10 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2g35 s SER 61 N -0.02 2.19 -0.01 -5.58 1.04 -1.11 0.27 113.70 110.49 2g35 s SER 61 Ca 0.00 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.29 2g35 s SER 61 Cb 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2g35 s SER 61 CO 0.00 -0.41 -0.09 0.12 0.98 0.00 0.00 173.24 173.84 2g35 s PHE 62 N -3.24 0.84 0.02 5.02 5.36 -0.78 0.58 117.98 125.78 2g35 s PHE 62 Ca 0.27 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.11 2g35 s PHE 62 Cb 0.04 -0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 42.17 2g35 s PHE 62 CO 0.09 -0.01 -0.10 0.99 -1.46 0.00 0.00 175.22 174.72 2g35 s THR 63 N -0.23 0.77 0.06 0.12 2.01 -0.60 -2.03 115.64 115.73 2g35 s THR 63 Ca 0.04 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2g35 s THR 63 Cb -0.04 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2g35 s THR 63 CO -0.00 -0.04 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.35 2g35 s LEU 64 N -0.90 2.40 -0.03 4.42 2.34 -0.98 -1.28 118.68 124.64 2g35 s LEU 64 Ca -0.01 -0.81 0.03 0.00 0.06 0.00 0.00 54.13 53.40 2g35 s LEU 64 Cb -0.07 -0.00 0.00 0.00 -0.56 0.00 0.00 46.19 45.56 2g35 s LEU 64 CO 0.00 -0.41 -0.12 -0.62 -1.06 0.00 0.00 176.35 174.15 2g35 s ASP 65 N -2.39 1.52 0.00 1.48 2.15 0.01 -1.32 116.67 118.12 2g35 s ASP 65 Ca 0.01 -0.24 0.19 0.00 0.43 0.00 0.00 52.55 52.94 2g35 s ASP 65 Cb -0.00 -0.43 -0.14 0.00 -0.30 0.00 0.00 42.92 42.04 2g35 s ASP 65 CO -0.04 0.09 0.86 0.49 -0.17 0.00 0.00 175.17 176.40 2g35 n PHE 66 N 3.28 0.00 0.00 -5.34 3.72 -1.06 0.28 117.46 118.35 2g35 n PHE 66 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2g35 n PHE 66 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.40 1.70 3.55 1.37 0.00 -1.26 -4.65 105.19 107.31 2g35 n GLY 67 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.53 5.73 0.61 1.61 1.01 -1.26 -4.82 116.67 118.02 2g35 s ASP 68 Ca 0.00 -0.13 0.27 0.00 0.71 0.00 0.00 52.55 53.40 2g35 s ASP 68 Cb 0.00 -2.55 1.02 0.00 1.01 0.00 0.00 42.92 42.40 2g35 s ASP 68 CO 0.00 -2.10 1.40 0.22 0.21 0.00 0.00 175.17 174.90 2g35 h TYR 69 N 12.30 0.00 0.00 4.23 3.20 -1.96 2.97 116.97 137.71 2g35 h TYR 69 Ca -0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2g35 h TYR 69 Cb 1.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2g35 h TYR 69 CO 1.10 0.00 -0.16 -0.56 -1.64 0.00 0.00 178.16 176.90 2g35 h GLN 70 N 0.00 0.00 -0.01 1.82 3.07 -1.99 -3.41 115.11 114.58 2g35 h GLN 70 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.19 2g35 h GLN 70 Cb 2.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.22 2g35 h GLN 70 CO -0.00 0.00 -0.41 -3.47 0.09 0.00 0.00 178.83 175.03 2g35 n ASP 71 N -3.15 1.77 -0.05 0.06 -0.08 -0.96 -4.60 116.55 109.54 2g35 n ASP 71 Ca -0.02 -1.35 -0.01 0.00 -1.51 0.00 0.00 54.79 51.89 2g35 n ASP 71 Cb 0.08 0.38 -0.01 0.00 2.34 0.00 0.00 41.12 43.91 2g35 n ASP 71 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2g35 h GLY 72 N 4.87 -2.44 -5.31 0.27 0.00 0.51 -3.37 103.07 97.61 2g35 h GLY 72 Ca 0.00 1.10 -0.56 0.00 0.00 0.00 0.00 47.33 47.87 2g35 h GLY 72 CO 0.00 -0.89 1.02 -0.19 0.00 0.00 0.00 176.54 176.48 2g35 s TYR 73 N -3.30 2.34 -0.23 5.60 2.02 -1.26 -2.56 117.35 119.96 2g35 s TYR 73 Ca -0.01 0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 57.22 2g35 s TYR 73 Cb 0.01 -3.76 0.07 0.00 -0.40 0.00 0.00 41.96 37.88 2g35 s TYR 73 CO 0.07 -2.89 0.04 -0.47 -1.57 0.00 0.00 175.55 170.74 2g35 s TYR 74 N 3.95 1.36 0.21 2.71 5.04 -0.44 -4.97 117.35 125.21 2g35 s TYR 74 Ca 0.66 -1.19 0.09 0.00 -2.44 0.00 0.00 57.07 54.18 2g35 s TYR 74 Cb -0.28 -1.26 -0.05 0.00 0.35 0.00 0.00 41.96 40.73 2g35 s TYR 74 CO 0.24 -0.70 -0.16 -1.54 -1.34 0.00 0.00 175.55 172.04 2g35 s SER 75 N 1.74 2.76 0.28 4.32 1.04 -1.26 -2.32 113.70 120.26 2g35 s SER 75 Ca 0.01 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.33 2g35 s SER 75 Cb -0.17 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2g35 s SER 75 CO -0.13 -0.11 0.53 0.68 0.98 0.00 0.00 173.24 175.19 2g35 s VAL 76 N -2.71 0.00 0.03 5.02 -7.23 -0.86 -4.99 120.40 109.66 2g35 s VAL 76 Ca 0.22 -1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2g35 s VAL 76 Cb -0.02 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2g35 s VAL 76 CO 0.08 0.00 1.03 -1.10 -0.31 0.00 0.00 175.10 174.80 2g35 s GLN 77 N -3.67 4.55 -0.10 4.82 -0.21 0.52 -1.86 119.66 123.71 2g35 s GLN 77 Ca 0.22 1.51 -0.04 0.00 0.02 0.00 0.00 55.36 57.07 2g35 s GLN 77 Cb -0.01 -3.42 0.05 0.00 1.00 0.00 0.00 33.01 30.62 2g35 s GLN 77 CO 0.11 -0.06 0.21 0.95 -2.12 0.00 0.00 175.29 174.38 2g35 s THR 78 N 0.86 -0.22 -0.06 -0.19 -4.23 0.77 -1.94 115.64 110.63 2g35 s THR 78 Ca 0.53 0.26 0.28 0.00 -1.18 0.00 0.00 61.69 61.57 2g35 s THR 78 Cb -0.23 -0.35 0.33 0.00 1.34 0.00 0.00 72.50 73.59 2g35 s THR 78 CO 0.29 0.11 1.82 0.74 -0.54 0.00 0.00 174.62 177.03 2g35 h THR 79 N 6.18 0.15 -0.49 3.99 2.02 -1.88 -2.92 112.91 119.97 2g35 h THR 79 Ca -0.25 -0.86 -0.36 0.00 0.77 0.00 0.00 66.41 65.71 2g35 h THR 79 Cb 1.13 1.75 -0.32 0.00 -1.74 0.00 0.00 68.15 68.97 2g35 h THR 79 CO 0.25 0.07 -0.80 -0.62 0.37 0.00 0.00 175.52 174.79 2g35 n GLU 80 N -3.16 2.69 0.04 6.66 1.02 -1.26 -4.72 120.64 121.92 2g35 n GLU 80 Ca 0.02 -3.76 0.02 0.00 -0.02 0.00 0.00 57.16 53.41 2g35 n GLU 80 Cb 0.42 -1.91 0.09 0.00 -0.02 0.00 0.00 31.44 30.02 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g35 n GLY 81 N -0.72 -0.38 0.08 0.62 0.00 -1.19 -1.23 105.19 102.36 2g35 n GLY 81 Ca 0.31 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.06 -0.63 1.61 4.81 -1.87 -2.87 114.58 115.58 2g35 h GLU 82 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2g35 h GLU 82 Cb 0.45 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 2g35 h GLU 82 CO 0.00 0.18 0.23 1.96 -0.73 0.00 0.00 179.01 180.65 2g35 h GLN 83 N -1.00 0.39 -0.61 1.92 4.20 -1.57 1.09 115.11 119.53 2g35 h GLN 83 Ca -0.01 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.83 2g35 h GLN 83 Cb 0.26 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2g35 h GLN 83 CO 0.01 0.26 0.43 0.82 -0.67 0.00 0.00 178.83 179.68 2g35 h ILE 84 N 0.41 0.76 0.00 2.54 2.04 -1.58 1.88 117.51 123.56 2g35 h ILE 84 Ca 0.32 -0.05 -0.22 0.00 1.00 0.00 0.00 64.86 65.91 2g35 h ILE 84 Cb 0.41 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2g35 h ILE 84 CO -0.32 0.03 -1.19 0.00 0.00 0.00 0.00 178.15 176.67 2g35 h ALA 85 N 1.70 0.55 0.22 1.87 0.00 0.11 -2.19 119.26 121.52 2g35 h ALA 85 Ca 0.29 -1.01 -0.33 0.00 0.00 0.00 0.00 54.91 53.87 2g35 h ALA 85 Cb 0.95 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.86 2g35 h ALA 85 CO -0.04 1.23 -1.46 0.37 0.00 0.00 0.00 179.25 179.35 2g35 h GLN 86 N 0.00 0.47 -0.39 0.00 4.15 0.47 0.25 115.11 120.05 2g35 h GLN 86 Ca -0.11 -0.80 -0.13 0.00 0.77 0.00 0.00 58.65 58.38 2g35 h GLN 86 Cb 1.77 0.30 -0.01 0.00 0.21 0.00 0.00 27.48 29.75 2g35 h GLN 86 CO 0.10 1.38 -0.28 1.25 -1.93 0.00 0.00 178.83 179.35 2g35 h LEU 87 N 0.13 0.86 0.17 -2.39 5.85 0.26 -0.37 115.31 119.81 2g35 h LEU 87 Ca -0.24 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2g35 h LEU 87 Cb 2.12 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.92 2g35 h LEU 87 CO 0.25 1.08 -0.08 0.40 -0.34 0.00 0.00 178.44 179.76 2g35 h ILE 88 N 0.71 0.93 0.00 4.05 1.08 -1.42 -2.57 117.51 120.29 2g35 h ILE 88 Ca 0.08 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2g35 h ILE 88 Cb 0.83 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2g35 h ILE 88 CO 0.07 0.21 0.09 0.00 -0.69 0.00 0.00 178.15 177.84 2g35 h ALA 89 N -0.11 1.08 0.00 1.87 0.00 -0.44 0.02 119.26 121.68 2g35 h ALA 89 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2g35 h ALA 89 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2g35 h ALA 89 CO 0.04 -0.08 -1.34 0.78 0.00 0.00 0.00 179.25 178.65 2g35 h GLY 90 N 0.00 0.00 1.47 0.00 0.00 -0.75 -3.30 103.07 100.49 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 -0.42 -0.97 0.00 0.00 0.00 176.54 175.15 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.61 -3.26 116.97 118.75 2g35 h TYR 91 Ca -0.16 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.43 2g35 h TYR 91 Cb 1.82 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.53 2g35 h TYR 91 CO 0.00 0.00 -1.08 0.82 -1.05 0.00 0.00 178.16 176.85 2g35 h ILE 92 N 0.00 1.19 0.00 -2.88 2.04 -1.57 -3.18 117.51 113.11 2g35 h ILE 92 Ca 0.00 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.04 2g35 h ILE 92 Cb 0.80 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 2g35 h ILE 92 CO 0.00 0.68 -0.45 0.44 0.00 0.00 0.00 178.15 178.82 2g35 h ASP 93 N 0.00 0.00 1.13 1.72 3.32 -1.65 -3.18 116.42 117.77 2g35 h ASP 93 Ca -0.08 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2g35 h ASP 93 Cb 1.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 2g35 h ASP 93 CO 0.09 0.00 -0.91 0.40 -1.72 0.00 0.00 179.24 177.11 2g35 h ILE 94 N 0.00 0.36 0.07 0.35 2.04 -1.63 -3.03 117.51 115.67 2g35 h ILE 94 Ca 0.00 -1.61 -0.28 0.00 1.00 0.00 0.00 64.86 63.98 2g35 h ILE 94 Cb 0.98 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 2g35 h ILE 94 CO 0.00 0.20 -1.39 0.16 0.00 0.00 0.00 178.15 177.12 2g35 h ILE 95 N 0.00 1.29 0.00 -0.67 3.07 -1.62 -3.25 117.51 116.32 2g35 h ILE 95 Ca -0.06 -2.97 -0.03 0.00 1.55 0.00 0.00 64.86 63.35 2g35 h ILE 95 Cb 1.29 2.76 -0.00 0.00 -0.27 0.00 0.00 36.82 40.59 2g35 h ILE 95 CO 0.03 0.82 -0.16 -0.07 -1.05 0.00 0.00 178.15 177.72 2g35 h LEU 96 N 0.04 0.00 0.28 0.16 3.38 -1.65 -3.27 115.31 114.26 2g35 h LEU 96 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2g35 h LEU 96 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2g35 h LEU 96 CO 0.15 0.16 -0.14 0.50 0.09 0.00 0.00 178.44 179.20 2g35 h LYS 97 N 0.00 -0.37 -1.02 1.13 3.64 -1.58 -3.17 116.57 115.20 2g35 h LYS 97 Ca -0.00 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.65 2g35 h LYS 97 Cb 0.98 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.78 2g35 h LYS 97 CO 0.02 -0.04 0.64 0.87 -2.27 0.00 0.00 179.45 178.67 2g35 h LYS 98 N -0.94 0.47 -0.19 1.90 1.57 -1.64 0.70 116.57 118.44 2g35 h LYS 98 Ca -0.04 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2g35 h LYS 98 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2g35 h LYS 98 CO 0.06 0.31 0.13 0.87 -0.57 0.00 0.00 179.45 180.26 2g35 h LYS 99 N 0.49 0.13 0.00 3.15 1.57 -1.59 -3.53 116.57 116.78 2g35 h LYS 99 Ca 0.61 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2g35 h LYS 99 Cb 1.36 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2g35 h LYS 99 CO -0.36 0.08 0.00 1.63 -0.57 0.00 0.00 179.45 180.24