#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 0.63 -2.73 1.47 4.01 -1.26 -3.45 118.16 116.83 2g35 n LYS 2 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 2g35 n LYS 2 Cb 0.00 -1.22 0.09 0.00 -0.51 0.00 0.00 35.03 33.39 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 0.00 -2.41 -0.18 5.66 -1.26 -4.91 114.28 111.16 2g35 n THR 3 Ca 0.00 -1.48 -0.38 0.00 -3.05 0.00 0.00 64.05 59.14 2g35 n THR 3 Cb 0.11 1.46 -0.03 0.00 -1.55 0.00 0.00 70.33 70.32 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 0.26 2.25 -1.14 1.09 6.14 -1.22 -4.00 117.35 120.73 2g35 s TYR 4 Ca 0.22 -0.23 -0.04 0.00 0.64 0.00 0.00 57.07 57.66 2g35 s TYR 4 Cb 0.30 -4.50 -0.03 0.00 0.42 0.00 0.00 41.96 38.14 2g35 s TYR 4 CO -0.06 -1.97 0.92 0.41 0.64 0.00 0.00 175.55 175.49 2g35 n GLY 5 N 6.41 -0.76 3.60 8.97 0.00 -1.26 -5.00 105.19 117.16 2g35 n GLY 5 Ca 0.26 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.41 3.90 -0.35 1.61 1.01 -1.26 -5.01 120.40 116.89 2g35 s VAL 6 Ca 0.24 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2g35 s VAL 6 Cb -0.04 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2g35 s VAL 6 CO 0.75 0.59 0.71 -0.44 0.00 0.00 0.00 175.10 176.71 2g35 s SER 7 N -0.72 6.50 0.44 3.32 0.01 -1.25 -4.86 113.70 117.14 2g35 s SER 7 Ca 0.11 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 2g35 s SER 7 Cb -0.11 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2g35 s SER 7 CO 0.02 -0.65 0.70 -0.36 0.41 0.00 0.00 173.24 173.36 2g35 s PHE 8 N 2.88 3.49 -0.07 2.43 0.08 -1.26 -0.94 117.98 124.60 2g35 s PHE 8 Ca 0.28 0.58 -0.03 0.00 0.12 0.00 0.00 56.93 57.89 2g35 s PHE 8 Cb -0.14 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.17 2g35 s PHE 8 CO 0.15 -0.17 0.14 -0.06 -0.10 0.00 0.00 175.22 175.17 2g35 s PHE 9 N -2.59 -0.14 -0.61 0.36 0.40 -0.93 -4.81 117.98 109.67 2g35 s PHE 9 Ca 0.45 0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 57.00 2g35 s PHE 9 Cb -0.10 -0.20 0.02 0.00 0.51 0.00 0.00 43.02 43.24 2g35 s PHE 9 CO 0.41 -0.21 1.39 -1.17 0.70 0.00 0.00 175.22 176.34 2g35 s LEU 10 N 1.73 3.35 0.16 -0.37 0.20 -1.26 -1.82 118.68 120.66 2g35 s LEU 10 Ca -0.03 0.10 0.09 0.00 0.69 0.00 0.00 54.13 54.99 2g35 s LEU 10 Cb -0.12 -2.92 -0.04 0.00 -0.43 0.00 0.00 46.19 42.68 2g35 s LEU 10 CO -0.05 -1.76 -0.14 0.68 -0.29 0.00 0.00 176.35 174.79 2g35 s VAL 11 N 6.05 2.96 0.04 1.68 -7.23 0.12 -4.84 120.40 119.19 2g35 s VAL 11 Ca 0.48 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2g35 s VAL 11 Cb -0.10 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2g35 s VAL 11 CO 0.22 -0.04 0.01 -0.54 -0.31 0.00 0.00 175.10 174.45 2g35 s LYS 12 N -2.57 2.73 0.29 4.82 1.02 -0.85 0.13 119.74 125.32 2g35 s LYS 12 Ca 0.22 -0.69 0.11 0.00 0.02 0.00 0.00 55.97 55.63 2g35 s LYS 12 Cb -0.09 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2g35 s LYS 12 CO 0.13 0.59 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.77 2g35 s GLU 13 N -1.92 1.74 -0.47 1.68 2.02 0.14 -0.42 118.70 121.48 2g35 s GLU 13 Ca 0.23 -1.79 -0.10 0.00 0.02 0.00 0.00 54.97 53.34 2g35 s GLU 13 Cb -0.12 -1.78 0.12 0.00 0.10 0.00 0.00 34.13 32.45 2g35 s GLU 13 CO 0.15 0.29 0.35 0.15 0.02 0.00 0.00 175.26 176.22 2g35 s LYS 14 N -3.54 2.51 0.56 1.61 -0.14 -1.26 -0.01 119.74 119.47 2g35 s LYS 14 Ca 0.31 -1.75 -0.19 0.00 -1.36 0.00 0.00 55.97 52.98 2g35 s LYS 14 Cb -0.04 -3.94 -0.05 0.00 -1.68 0.00 0.00 37.83 32.12 2g35 s LYS 14 CO 0.16 -1.19 1.13 -1.64 -0.76 0.00 0.00 175.35 173.04 2g35 s MET 15 N 1.38 3.27 0.00 1.68 -1.94 -1.26 -4.75 119.30 117.68 2g35 s MET 15 Ca 0.05 1.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 2g35 s MET 15 Cb -0.26 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.58 2g35 s MET 15 CO -0.00 -0.91 0.00 1.63 -0.01 0.00 0.00 175.02 175.72 2g35 n LYS 16 N -1.44 0.00 0.00 2.03 4.01 -1.26 -2.00 118.16 119.50 2g35 n LYS 16 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 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 0.00 0.18 3.65 0.72 0.00 -1.26 -5.10 105.19 103.39 2g35 n GLY 17 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 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 1.12 0.00 1.61 4.76 -0.85 -4.68 118.16 120.12 2g35 n LYS 18 Ca 0.00 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 2g35 n LYS 18 Cb 0.40 -2.07 0.02 0.00 -1.84 0.00 0.00 35.03 31.54 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 3.93 0.00 -2.67 4.39 3.02 -1.26 -4.53 115.26 118.14 2g35 n ASN 19 Ca 0.23 0.33 -0.09 0.00 -0.03 0.00 0.00 54.58 55.02 2g35 n ASN 19 Cb 0.16 -0.33 0.06 0.00 -0.61 0.00 0.00 39.78 39.05 2g35 n ASN 19 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2g35 n LYS 20 N -1.33 -0.14 -4.18 3.52 4.01 -1.26 -5.12 118.16 113.66 2g35 n LYS 20 Ca 0.00 -0.72 -0.13 0.00 -0.51 0.00 0.00 58.31 56.95 2g35 n LYS 20 Cb 0.01 -0.36 -0.10 0.00 -0.51 0.00 0.00 35.03 34.07 2g35 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2g35 s LEU 21 N 0.00 2.46 -0.23 -0.35 1.43 -1.26 -4.68 118.68 116.05 2g35 s LEU 21 Ca 0.23 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2g35 s LEU 21 Cb -0.01 -0.22 0.05 0.00 0.03 0.00 0.00 46.19 46.04 2g35 s LEU 21 CO 0.16 -0.34 -0.13 -0.69 0.23 0.00 0.00 176.35 175.58 2g35 s VAL 22 N -2.94 2.04 0.63 -1.59 1.01 0.99 -4.87 120.40 115.66 2g35 s VAL 22 Ca 0.09 -1.38 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 2g35 s VAL 22 Cb 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2g35 s VAL 22 CO -0.01 0.12 1.20 -2.65 0.00 0.00 0.00 175.10 173.76 2g35 n PRO 23 N 4.52 1.10 -3.67 2.72 -0.02 -1.26 0.28 135.00 138.67 2g35 n PRO 23 Ca -0.16 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.61 2g35 n PRO 23 Cb 0.44 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 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 -3.15 0.74 -0.09 -0.52 6.06 0.36 -4.05 118.95 118.31 2g35 s ARG 24 Ca 0.80 0.26 -0.03 0.00 -2.50 0.00 0.00 55.73 54.26 2g35 s ARG 24 Cb -0.39 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.93 2g35 s ARG 24 CO 0.43 -0.18 0.04 -0.51 -2.50 0.00 0.00 175.30 172.58 2g35 s LEU 25 N -0.70 3.80 -0.26 -0.88 1.43 0.41 0.14 118.68 122.62 2g35 s LEU 25 Ca -0.08 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2g35 s LEU 25 Cb -0.03 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.34 2g35 s LEU 25 CO 0.04 0.38 -0.03 -0.22 0.23 0.00 0.00 176.35 176.75 2g35 s LEU 26 N -1.00 2.90 -0.21 1.79 2.96 -0.76 -0.05 118.68 124.31 2g35 s LEU 26 Ca 0.15 -1.36 -0.27 0.00 -0.22 0.00 0.00 54.13 52.42 2g35 s LEU 26 Cb -0.12 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.33 2g35 s LEU 26 CO 0.04 -0.26 0.95 -0.83 -1.32 0.00 0.00 176.35 174.92 2g35 s GLY 27 N 1.33 1.87 -0.40 7.98 0.00 0.58 -2.18 107.32 116.49 2g35 s GLY 27 Ca -0.03 0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 2g35 s GLY 27 CO -0.08 1.97 0.37 -0.42 0.00 0.00 0.00 173.10 174.94 2g35 s ILE 28 N 2.78 5.16 0.49 0.90 -1.09 -0.12 0.30 121.20 129.62 2g35 s ILE 28 Ca 0.41 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2g35 s ILE 28 Cb -0.16 -3.95 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2g35 s ILE 28 CO 0.09 -0.30 0.70 -0.89 -1.23 0.00 0.00 174.94 173.31 2g35 s THR 29 N 1.96 3.21 -1.14 2.92 2.01 0.48 -3.78 115.64 121.30 2g35 s THR 29 Ca 0.10 -0.67 0.20 0.00 0.31 0.00 0.00 61.69 61.62 2g35 s THR 29 Cb -0.17 -3.18 0.23 0.00 0.01 0.00 0.00 72.50 69.39 2g35 s THR 29 CO 0.12 -0.11 1.64 2.29 -0.69 0.00 0.00 174.62 177.87 2g35 n LYS 30 N -2.16 0.10 0.00 4.92 2.85 -1.26 -3.34 118.16 119.26 2g35 n LYS 30 Ca 0.05 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 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 -1.43 0.09 -3.58 -1.58 1.02 -1.26 -4.87 120.64 109.03 2g35 n GLU 31 Ca 0.06 -0.36 -0.05 0.00 -0.02 0.00 0.00 57.16 56.79 2g35 n GLU 31 Cb 0.21 -0.53 -0.02 0.00 -0.02 0.00 0.00 31.44 31.08 2g35 n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g35 s VAL 33 N -2.61 4.44 -0.12 0.00 1.01 -0.27 0.18 120.40 123.02 2g35 s VAL 33 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2g35 s VAL 33 Cb -0.01 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2g35 s VAL 33 CO -0.06 0.49 0.08 -0.04 0.00 0.00 0.00 175.10 175.58 2g35 s MET 34 N 0.20 3.43 -0.26 2.72 1.00 0.87 -0.59 119.30 126.67 2g35 s MET 34 Ca 0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 55.69 55.29 2g35 s MET 34 Cb -0.13 -3.09 -0.03 0.00 0.00 0.00 0.00 34.83 31.58 2g35 s MET 34 CO 0.01 0.65 0.47 1.03 0.00 0.00 0.00 175.02 177.18 2g35 s ARG 35 N -0.68 4.05 -0.08 2.03 0.52 0.78 -0.31 118.95 125.26 2g35 s ARG 35 Ca 0.12 0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.58 2g35 s ARG 35 Cb -0.12 -3.65 0.01 0.00 0.52 0.00 0.00 34.95 31.71 2g35 s ARG 35 CO 0.02 -0.32 -0.13 0.08 0.02 0.00 0.00 175.30 174.97 2g35 s VAL 36 N 2.22 1.24 0.52 3.52 1.01 0.92 0.20 120.40 130.04 2g35 s VAL 36 Ca 0.19 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2g35 s VAL 36 Cb -0.16 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 2g35 s VAL 36 CO 0.09 0.38 1.16 -0.62 0.00 0.00 0.00 175.10 176.11 2g35 s ASP 37 N 0.82 5.79 0.25 3.32 -1.08 -0.61 0.16 116.67 125.32 2g35 s ASP 37 Ca -0.11 2.26 0.23 0.00 -0.52 0.00 0.00 52.55 54.40 2g35 s ASP 37 Cb -0.15 -2.59 0.07 0.00 -1.46 0.00 0.00 42.92 38.79 2g35 s ASP 37 CO 0.02 -1.17 1.16 -0.08 0.52 0.00 0.00 175.17 175.62 2g35 h GLU 38 N 1.45 0.00 0.02 4.34 4.22 -1.86 0.21 114.58 122.95 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 0.00 -0.01 -0.22 -2.18 0.00 0.00 179.01 177.18 2g35 h LYS 39 N 0.00 -0.03 -0.01 1.92 3.64 -1.91 -3.36 116.57 116.83 2g35 h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2g35 h LYS 39 Cb 1.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2g35 h LYS 39 CO 0.00 0.72 -0.43 2.41 -2.27 0.00 0.00 179.45 179.88 2g35 n THR 40 N -4.71 0.00 -1.35 1.00 -1.04 -1.25 -4.94 114.28 101.99 2g35 n THR 40 Ca -0.09 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.52 2g35 n THR 40 Cb 0.37 1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 70.06 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 -0.06 -1.27 -3.97 -2.82 5.02 0.74 -4.90 118.16 110.90 2g35 n LYS 41 Ca 0.08 0.68 -0.24 0.00 -2.02 0.00 0.00 58.31 56.81 2g35 n LYS 41 Cb 0.42 -4.90 -0.03 0.00 -0.02 0.00 0.00 35.03 30.51 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 -3.00 3.37 -0.05 1.97 2.56 -1.25 -4.79 118.70 117.51 2g35 s GLU 42 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 54.97 53.97 2g35 s GLU 42 Cb 0.00 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.21 2g35 s GLU 42 CO 0.00 0.48 1.14 0.08 -0.56 0.00 0.00 175.26 176.40 2g35 s VAL 43 N -1.84 4.40 -0.06 3.70 1.01 -1.26 -1.57 120.40 124.78 2g35 s VAL 43 Ca 0.34 1.71 0.16 0.00 0.00 0.00 0.00 61.98 64.20 2g35 s VAL 43 Cb -0.10 -4.10 -0.25 0.00 0.00 0.00 0.00 36.38 31.93 2g35 s VAL 43 CO 0.28 0.03 0.30 -0.38 0.00 0.00 0.00 175.10 175.33 2g35 n ILE 44 N 4.45 0.26 -3.63 2.22 2.08 0.53 -4.94 119.36 120.32 2g35 n ILE 44 Ca 0.10 -0.46 -0.04 0.00 0.56 0.00 0.00 62.75 62.91 2g35 n ILE 44 Cb 0.47 -0.05 -0.01 0.00 -0.75 0.00 0.00 39.64 39.29 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 -3.00 0.82 0.05 0.38 2.00 -1.09 -4.94 119.66 113.88 2g35 s GLN 45 Ca -0.07 -0.40 -0.03 0.00 -2.00 0.00 0.00 55.36 52.86 2g35 s GLN 45 Cb 0.09 0.31 -0.02 0.00 0.80 0.00 0.00 33.01 34.19 2g35 s GLN 45 CO 0.70 -0.37 0.04 -1.21 -0.50 0.00 0.00 175.29 173.95 2g35 s GLU 46 N -2.96 0.62 0.04 1.67 2.02 -1.26 0.27 118.70 119.10 2g35 s GLU 46 Ca 0.10 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2g35 s GLU 46 Cb -0.00 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 2g35 s GLU 46 CO -0.03 -0.14 -0.04 -1.58 0.02 0.00 0.00 175.26 173.49 2g35 s TRP 47 N -3.42 0.44 0.13 1.61 0.51 0.24 -4.94 118.94 113.52 2g35 s TRP 47 Ca 0.02 -0.70 -0.23 0.00 -2.12 0.00 0.00 56.10 53.06 2g35 s TRP 47 Cb 0.04 -0.30 -0.07 0.00 -0.81 0.00 0.00 33.47 32.32 2g35 s TRP 47 CO -0.08 -0.22 0.71 -1.12 -0.51 0.00 0.00 176.95 175.73 2g35 s SER 48 N -1.99 7.29 0.40 2.95 0.01 -1.26 -1.12 113.70 119.97 2g35 s SER 48 Ca -0.07 1.52 0.16 0.00 1.31 0.00 0.00 55.95 58.87 2g35 s SER 48 Cb -0.04 -2.46 0.85 0.00 0.21 0.00 0.00 66.02 64.59 2g35 s SER 48 CO -0.04 0.22 1.87 -0.07 0.41 0.00 0.00 173.24 175.63 2g35 h LEU 49 N 4.43 0.00 -0.02 2.44 3.38 -1.64 -1.79 115.31 122.11 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 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2g35 h LEU 49 CO 0.65 0.32 -0.01 0.41 0.09 0.00 0.00 178.44 179.91 2g35 n THR 50 N -3.97 0.00 1.05 0.22 -1.04 -1.26 -3.07 114.28 106.21 2g35 n THR 50 Ca -0.02 -0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.10 2g35 n THR 50 Cb 0.38 -0.47 0.07 0.00 -1.82 0.00 0.00 70.33 68.48 2g35 n THR 50 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2g35 n ASN 51 N -1.18 1.57 -4.68 8.00 4.13 -0.67 -4.89 115.26 117.54 2g35 n ASN 51 Ca 0.17 -1.23 -0.43 0.00 1.68 0.00 0.00 54.58 54.77 2g35 n ASN 51 Cb 0.20 0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.91 2g35 n ASN 51 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2g35 s ILE 52 N -2.60 4.69 -0.15 2.41 1.01 -1.17 -4.38 121.20 121.00 2g35 s ILE 52 Ca 0.17 1.99 -0.23 0.00 0.00 0.00 0.00 60.65 62.58 2g35 s ILE 52 Cb 0.18 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 38.16 2g35 s ILE 52 CO 0.62 -0.07 0.50 0.50 0.00 0.00 0.00 174.94 176.50 2g35 h LYS 53 N 7.29 0.00 -2.49 2.79 3.64 0.27 -3.48 116.57 124.58 2g35 h LYS 53 Ca -0.27 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.26 2g35 h LYS 53 Cb 1.12 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2g35 h LYS 53 CO 0.90 0.85 0.47 -0.98 -2.27 0.00 0.00 179.45 178.42 2g35 s ARG 54 N -2.19 1.36 0.27 1.90 1.04 -1.19 -4.98 118.95 115.16 2g35 s ARG 54 Ca -0.19 -0.79 -0.06 0.00 -1.04 0.00 0.00 55.73 53.64 2g35 s ARG 54 Cb -0.00 0.44 -0.01 0.00 -2.04 0.00 0.00 34.95 33.33 2g35 s ARG 54 CO 0.57 -0.63 0.38 1.67 -0.04 0.00 0.00 175.30 177.26 2g35 s TRP 55 N -3.04 0.82 -0.12 5.89 -2.14 -1.26 0.30 118.94 119.40 2g35 s TRP 55 Ca 0.14 -1.10 -0.04 0.00 2.66 0.00 0.00 56.10 57.77 2g35 s TRP 55 Cb -0.02 -0.11 0.06 0.00 -3.10 0.00 0.00 33.47 30.30 2g35 s TRP 55 CO 0.04 -0.95 0.18 0.00 -2.66 0.00 0.00 176.95 173.56 2g35 s ALA 56 N -3.73 -0.18 -0.44 2.67 0.00 -0.31 -4.97 121.76 114.80 2g35 s ALA 56 Ca 0.30 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 2g35 s ALA 56 Cb 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.20 2g35 s ALA 56 CO 0.14 -0.77 0.39 0.00 0.00 0.00 0.00 175.76 175.52 2g35 s ALA 57 N 2.30 3.48 0.43 0.00 0.00 -1.26 -2.06 121.76 124.65 2g35 s ALA 57 Ca 0.04 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.21 2g35 s ALA 57 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2g35 s ALA 57 CO -0.08 -1.61 0.68 -1.12 0.00 0.00 0.00 175.76 173.64 2g35 s SER 58 N 2.03 6.20 0.00 0.00 0.01 0.50 -4.79 113.70 117.65 2g35 s SER 58 Ca 0.08 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2g35 s SER 58 Cb -0.20 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2g35 s SER 58 CO 0.10 -0.50 0.77 -0.81 0.41 0.00 0.00 173.24 173.22 2g35 n PRO 59 N -2.07 0.00 0.00 12.44 -0.04 -1.26 -3.04 135.00 141.03 2g35 n PRO 59 Ca -0.01 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2g35 n PRO 59 Cb 0.56 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.27 0.10 -4.56 0.54 2.85 -1.25 -4.76 118.16 109.80 2g35 n LYS 60 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 2g35 n LYS 60 Cb 0.05 -0.52 -0.11 0.00 -0.65 0.00 0.00 35.03 33.81 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 -1.57 3.63 -0.14 -5.58 0.15 -1.17 0.26 113.70 109.28 2g35 s SER 61 Ca 0.00 -1.29 -0.12 0.00 0.70 0.00 0.00 55.95 55.24 2g35 s SER 61 Cb 0.00 -0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.01 2g35 s SER 61 CO 0.00 -0.36 0.37 0.12 1.20 0.00 0.00 173.24 174.57 2g35 s PHE 62 N -2.73 -0.43 0.01 3.44 5.36 -0.77 0.19 117.98 123.04 2g35 s PHE 62 Ca 0.34 1.03 -0.03 0.00 -0.96 0.00 0.00 56.93 57.31 2g35 s PHE 62 Cb 0.06 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.89 2g35 s PHE 62 CO 0.17 -0.22 0.04 -0.08 -1.46 0.00 0.00 175.22 173.66 2g35 s THR 63 N 0.47 0.10 0.32 0.12 -1.32 -0.87 -2.12 115.64 112.34 2g35 s THR 63 Ca -0.02 -0.80 0.09 0.00 -1.21 0.00 0.00 61.69 59.75 2g35 s THR 63 Cb -0.04 -0.32 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 2g35 s THR 63 CO -0.02 -0.44 0.00 -1.48 -2.21 0.00 0.00 174.62 170.47 2g35 s LEU 64 N -1.38 3.02 -0.11 9.08 2.34 -0.59 -1.16 118.68 129.88 2g35 s LEU 64 Ca -0.15 -0.90 -0.01 0.00 0.06 0.00 0.00 54.13 53.13 2g35 s LEU 64 Cb -0.09 -1.44 0.03 0.00 -0.56 0.00 0.00 46.19 44.13 2g35 s LEU 64 CO -0.00 -0.17 -0.06 -0.62 -1.06 0.00 0.00 176.35 174.44 2g35 s ASP 65 N -3.70 2.07 0.00 1.48 2.15 0.15 -2.33 116.67 116.48 2g35 s ASP 65 Ca 0.34 -0.26 0.25 0.00 0.43 0.00 0.00 52.55 53.31 2g35 s ASP 65 Cb -0.02 -0.76 0.45 0.00 -0.30 0.00 0.00 42.92 42.29 2g35 s ASP 65 CO 0.19 -0.13 1.40 0.49 -0.17 0.00 0.00 175.17 176.95 2g35 n PHE 66 N 4.98 0.00 -0.88 -5.34 3.72 -1.26 0.24 117.46 118.92 2g35 n PHE 66 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2g35 n PHE 66 Cb 0.50 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.30 0.91 3.56 1.37 0.00 -1.26 -4.70 105.19 106.38 2g35 n GLY 67 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2g35 n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2g35 s ASP 68 N -2.93 5.81 0.28 1.61 1.47 -1.26 -4.78 116.67 116.86 2g35 s ASP 68 Ca 0.00 -1.27 0.01 0.00 1.18 0.00 0.00 52.55 52.48 2g35 s ASP 68 Cb 0.00 -2.57 0.60 0.00 -0.34 0.00 0.00 42.92 40.62 2g35 s ASP 68 CO 0.00 -2.16 1.77 0.22 0.68 0.00 0.00 175.17 175.68 2g35 h TYR 69 N 10.16 0.89 0.00 2.11 3.20 -1.92 1.66 116.97 133.06 2g35 h TYR 69 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2g35 h TYR 69 Cb 0.98 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2g35 h TYR 69 CO 1.26 0.21 0.00 0.94 -1.64 0.00 0.00 178.16 178.93 2g35 n GLN 70 N -4.83 0.00 0.06 1.82 7.27 -1.26 -2.83 117.38 117.62 2g35 n GLN 70 Ca 0.19 0.45 0.14 0.00 0.07 0.00 0.00 57.00 57.85 2g35 n GLN 70 Cb 0.48 -1.42 0.63 0.00 2.41 0.00 0.00 30.24 32.33 2g35 n GLN 70 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2g35 h ASP 71 N 0.00 0.09 -4.04 1.69 3.58 -1.91 -3.47 116.42 112.36 2g35 h ASP 71 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g35 h ASP 71 Cb 0.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2g35 h ASP 71 CO 0.00 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2g35 n GLY 72 N -1.58 -2.25 3.73 -0.78 0.00 0.56 -4.92 105.19 99.96 2g35 n GLY 72 Ca 0.06 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.59 1.02 -0.24 1.61 2.02 -1.26 -4.67 117.35 115.25 2g35 s TYR 73 Ca 0.00 0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2g35 s TYR 73 Cb 0.00 -3.70 0.07 0.00 -0.40 0.00 0.00 41.96 37.93 2g35 s TYR 73 CO 0.00 -3.33 0.03 -0.47 -1.57 0.00 0.00 175.55 170.20 2g35 s TYR 74 N -3.35 1.65 0.10 2.71 5.04 -0.98 -5.01 117.35 117.51 2g35 s TYR 74 Ca 0.72 -1.39 0.10 0.00 -2.44 0.00 0.00 57.07 54.06 2g35 s TYR 74 Cb -0.08 -1.40 -0.04 0.00 0.35 0.00 0.00 41.96 40.80 2g35 s TYR 74 CO 0.55 -0.73 -0.26 0.45 -1.34 0.00 0.00 175.55 174.22 2g35 s SER 75 N 1.64 3.12 0.20 4.32 0.15 -1.26 -1.55 113.70 120.33 2g35 s SER 75 Ca 0.01 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.82 2g35 s SER 75 Cb -0.18 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.92 2g35 s SER 75 CO -0.12 0.18 0.44 0.68 1.20 0.00 0.00 173.24 175.62 2g35 s VAL 76 N -1.01 0.03 0.04 4.45 -7.23 -0.90 -4.91 120.40 110.87 2g35 s VAL 76 Ca 0.12 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 2g35 s VAL 76 Cb -0.10 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2g35 s VAL 76 CO 0.05 -0.13 1.00 -1.10 -0.31 0.00 0.00 175.10 174.61 2g35 s GLN 77 N -3.95 4.58 -0.13 4.82 -0.21 0.45 -1.85 119.66 123.37 2g35 s GLN 77 Ca 0.16 1.47 -0.05 0.00 0.02 0.00 0.00 55.36 56.96 2g35 s GLN 77 Cb 0.00 -3.42 0.06 0.00 1.00 0.00 0.00 33.01 30.65 2g35 s GLN 77 CO 0.02 0.00 0.27 0.95 -2.12 0.00 0.00 175.29 174.41 2g35 s THR 78 N 0.72 -0.38 0.07 -0.19 -4.23 0.74 -2.01 115.64 110.35 2g35 s THR 78 Ca 0.51 0.26 0.19 0.00 -1.18 0.00 0.00 61.69 61.46 2g35 s THR 78 Cb -0.23 -0.45 0.13 0.00 1.34 0.00 0.00 72.50 73.29 2g35 s THR 78 CO 0.29 0.11 1.66 0.74 -0.54 0.00 0.00 174.62 176.88 2g35 h THR 79 N 6.22 0.82 -0.60 3.99 2.02 -1.86 -2.95 112.91 120.56 2g35 h THR 79 Ca -0.18 -1.66 -0.32 0.00 0.77 0.00 0.00 66.41 65.03 2g35 h THR 79 Cb 1.12 2.05 -0.19 0.00 -1.74 0.00 0.00 68.15 69.39 2g35 h THR 79 CO 0.16 0.38 0.18 -0.62 0.37 0.00 0.00 175.52 175.99 2g35 n GLU 80 N -3.42 2.01 0.14 6.66 1.02 -1.26 -4.71 120.64 121.08 2g35 n GLU 80 Ca 0.00 -3.15 0.14 0.00 -0.02 0.00 0.00 57.16 54.14 2g35 n GLU 80 Cb 0.56 -1.96 0.41 0.00 -0.02 0.00 0.00 31.44 30.43 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2g35 h GLY 81 N 1.03 0.00 0.17 0.62 0.00 -1.73 0.87 103.07 104.03 2g35 h GLY 81 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2g35 h GLY 81 CO 0.67 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 175.06 2g35 h GLU 82 N 0.00 -0.16 -0.55 4.80 4.81 -1.84 -2.86 114.58 118.77 2g35 h GLU 82 Ca 0.17 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 2g35 h GLU 82 Cb 1.85 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 31.18 2g35 h GLU 82 CO -0.00 0.09 0.08 1.96 -0.73 0.00 0.00 179.01 180.41 2g35 h GLN 83 N -1.01 0.20 -0.73 1.92 4.20 -1.24 0.93 115.11 119.38 2g35 h GLN 83 Ca -0.02 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.84 2g35 h GLN 83 Cb 0.33 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2g35 h GLN 83 CO 0.03 0.13 0.50 0.82 -0.67 0.00 0.00 178.83 179.64 2g35 h ILE 84 N 0.21 0.75 0.00 2.54 2.04 -1.45 0.79 117.51 122.39 2g35 h ILE 84 Ca 0.29 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.99 2g35 h ILE 84 Cb 0.42 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2g35 h ILE 84 CO -0.40 0.05 -0.65 0.00 0.00 0.00 0.00 178.15 177.16 2g35 h ALA 85 N 1.65 0.72 0.17 1.87 0.00 0.78 -2.62 119.26 121.84 2g35 h ALA 85 Ca 0.36 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 54.69 2g35 h ALA 85 Cb 0.98 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2g35 h ALA 85 CO -0.09 0.31 -1.52 0.37 0.00 0.00 0.00 179.25 178.32 2g35 h GLN 86 N 0.00 0.36 -0.21 0.00 4.15 0.55 0.30 115.11 120.27 2g35 h GLN 86 Ca -0.03 -0.62 -0.20 0.00 0.77 0.00 0.00 58.65 58.57 2g35 h GLN 86 Cb 1.20 0.23 0.01 0.00 0.21 0.00 0.00 27.48 29.12 2g35 h GLN 86 CO 0.02 1.26 -0.64 1.25 -1.93 0.00 0.00 178.83 178.80 2g35 h LEU 87 N 0.10 0.92 -0.07 -2.39 5.85 0.19 -1.63 115.31 118.28 2g35 h LEU 87 Ca -0.25 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 57.85 2g35 h LEU 87 Cb 2.07 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 2g35 h LEU 87 CO 0.20 1.35 -0.10 0.40 -0.34 0.00 0.00 178.44 179.95 2g35 h ILE 88 N 0.54 1.40 0.00 4.05 2.04 -1.56 -2.58 117.51 121.40 2g35 h ILE 88 Ca -0.02 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2g35 h ILE 88 Cb 1.26 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2g35 h ILE 88 CO 0.14 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.66 2g35 h ALA 89 N 0.51 1.00 0.00 1.87 0.00 -0.94 -1.09 119.26 120.61 2g35 h ALA 89 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2g35 h ALA 89 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2g35 h ALA 89 CO 0.02 0.00 -1.10 0.78 0.00 0.00 0.00 179.25 178.95 2g35 h GLY 90 N 0.36 0.00 1.62 0.00 0.00 -0.93 -3.34 103.07 100.78 2g35 h GLY 90 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2g35 h GLY 90 CO 0.00 0.00 -0.80 -0.97 0.00 0.00 0.00 176.54 174.77 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.83 -3.27 116.97 118.52 2g35 h TYR 91 Ca -0.10 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.63 2g35 h TYR 91 Cb 1.42 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.15 2g35 h TYR 91 CO 0.00 0.47 -0.27 0.82 -1.05 0.00 0.00 178.16 178.13 2g35 h ILE 92 N 0.00 0.74 0.00 -2.88 2.04 -1.61 -2.64 117.51 113.15 2g35 h ILE 92 Ca -0.05 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2g35 h ILE 92 Cb 1.41 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2g35 h ILE 92 CO 0.05 0.27 -0.46 0.44 0.00 0.00 0.00 178.15 178.45 2g35 h ASP 93 N 0.00 0.00 1.07 1.72 3.32 -1.69 -3.15 116.42 117.69 2g35 h ASP 93 Ca -0.00 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 2g35 h ASP 93 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2g35 h ASP 93 CO 0.04 0.00 -0.98 0.40 -1.72 0.00 0.00 179.24 176.97 2g35 h ILE 94 N 0.00 0.46 0.10 0.35 2.04 -1.55 -2.75 117.51 116.15 2g35 h ILE 94 Ca 0.00 -1.78 -0.29 0.00 1.00 0.00 0.00 64.86 63.79 2g35 h ILE 94 Cb 0.99 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2g35 h ILE 94 CO 0.00 0.26 -1.44 0.16 0.00 0.00 0.00 178.15 177.13 2g35 h ILE 95 N 0.00 1.25 0.00 -0.67 3.07 -1.57 -3.29 117.51 116.30 2g35 h ILE 95 Ca -0.08 -2.90 -0.06 0.00 1.55 0.00 0.00 64.86 63.37 2g35 h ILE 95 Cb 1.37 2.78 -0.01 0.00 -0.27 0.00 0.00 36.82 40.69 2g35 h ILE 95 CO 0.04 0.82 -0.30 -0.07 -1.05 0.00 0.00 178.15 177.59 2g35 h LEU 96 N 0.06 0.00 0.14 0.16 3.38 -1.66 -2.81 115.31 114.58 2g35 h LEU 96 Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 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 0.16 0.30 -0.07 0.50 0.09 0.00 0.00 178.44 179.43 2g35 h LYS 97 N 0.00 -0.18 0.04 1.13 1.63 -1.55 -1.81 116.57 115.82 2g35 h LYS 97 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2g35 h LYS 97 Cb 1.23 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2g35 h LYS 97 CO 0.04 0.03 -0.02 0.87 -3.45 0.00 0.00 179.45 176.92 2g35 h LYS 98 N -0.36 -0.05 0.00 1.90 1.79 -1.65 -2.75 116.57 115.46 2g35 h LYS 98 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2g35 h LYS 98 Cb 0.29 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2g35 h LYS 98 CO 0.03 0.44 0.02 1.63 -1.08 0.00 0.00 179.45 180.49 2g35 n LYS 99 N -4.87 0.00 0.00 3.15 5.02 -1.06 -5.15 118.16 115.25 2g35 n LYS 99 Ca -0.09 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2g35 n LYS 99 Cb 0.26 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2g35 n LYS 99 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24