#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g35 n LYS 2 N 0.00 -1.58 -2.69 3.23 4.01 -1.26 -4.58 118.16 115.29 2g35 n LYS 2 Ca 0.00 0.33 -0.07 0.00 -0.51 0.00 0.00 58.31 58.07 2g35 n LYS 2 Cb 0.00 -4.04 0.09 0.00 -0.51 0.00 0.00 35.03 30.57 2g35 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2g35 n THR 3 N -1.15 0.36 -2.78 -0.18 5.66 -1.26 -4.83 114.28 110.10 2g35 n THR 3 Ca -0.04 -1.98 -0.43 0.00 -3.05 0.00 0.00 64.05 58.54 2g35 n THR 3 Cb 0.23 0.92 -0.01 0.00 -1.55 0.00 0.00 70.33 69.92 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2g35 s TYR 4 N -1.01 3.13 -1.21 1.09 6.14 -1.26 -4.33 117.35 119.91 2g35 s TYR 4 Ca 0.22 -1.78 -0.03 0.00 0.64 0.00 0.00 57.07 56.13 2g35 s TYR 4 Cb 0.42 -4.50 0.00 0.00 0.42 0.00 0.00 41.96 38.30 2g35 s TYR 4 CO -0.05 -1.60 1.03 0.41 0.64 0.00 0.00 175.55 175.98 2g35 n GLY 5 N 4.92 -0.39 3.61 8.97 0.00 -1.26 -5.00 105.19 116.05 2g35 n GLY 5 Ca 0.40 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.33 4.11 -0.65 1.61 1.01 -1.26 -4.98 120.40 116.91 2g35 s VAL 6 Ca 0.19 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 2g35 s VAL 6 Cb -0.08 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.63 2g35 s VAL 6 CO 0.70 0.57 0.92 -0.44 0.00 0.00 0.00 175.10 176.85 2g35 s SER 7 N -0.47 6.18 -0.22 3.32 0.01 -1.25 -4.87 113.70 116.38 2g35 s SER 7 Ca 0.08 -1.05 -0.26 0.00 1.31 0.00 0.00 55.95 56.04 2g35 s SER 7 Cb -0.12 -2.40 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 2g35 s SER 7 CO 0.02 -1.39 0.87 0.72 0.41 0.00 0.00 173.24 173.88 2g35 s PHE 8 N 3.84 3.34 -0.12 2.43 -0.71 -1.25 -2.28 117.98 123.22 2g35 s PHE 8 Ca 0.21 1.22 -0.04 0.00 -1.04 0.00 0.00 56.93 57.28 2g35 s PHE 8 Cb -0.18 -3.08 -0.04 0.00 -1.21 0.00 0.00 43.02 38.51 2g35 s PHE 8 CO 0.10 -0.38 0.03 -0.06 -1.34 0.00 0.00 175.22 173.57 2g35 s PHE 9 N 2.77 3.23 -0.11 3.49 0.40 0.86 -4.70 117.98 123.91 2g35 s PHE 9 Ca 0.37 0.16 -0.27 0.00 -0.60 0.00 0.00 56.93 56.59 2g35 s PHE 9 Cb -0.15 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2g35 s PHE 9 CO 0.08 0.37 0.90 -1.17 0.70 0.00 0.00 175.22 176.10 2g35 s LEU 10 N -0.45 4.25 0.05 -0.37 0.20 -1.26 0.29 118.68 121.39 2g35 s LEU 10 Ca 0.09 1.37 0.01 0.00 0.69 0.00 0.00 54.13 56.29 2g35 s LEU 10 Cb -0.12 -3.38 -0.03 0.00 -0.43 0.00 0.00 46.19 42.23 2g35 s LEU 10 CO 0.02 -0.36 -0.05 0.68 -0.29 0.00 0.00 176.35 176.35 2g35 s VAL 11 N 1.76 0.38 0.07 1.68 -7.23 0.19 -4.92 120.40 112.33 2g35 s VAL 11 Ca 0.44 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2g35 s VAL 11 Cb -0.18 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2g35 s VAL 11 CO 0.17 -0.64 0.03 -0.54 -0.31 0.00 0.00 175.10 173.81 2g35 s LYS 12 N -2.49 2.73 0.21 4.82 1.02 -1.17 0.16 119.74 125.02 2g35 s LYS 12 Ca -0.04 -0.73 0.08 0.00 0.02 0.00 0.00 55.97 55.30 2g35 s LYS 12 Cb -0.03 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 2g35 s LYS 12 CO -0.03 0.57 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.61 2g35 s GLU 13 N -2.18 1.34 -0.26 1.68 2.02 0.63 0.39 118.70 122.32 2g35 s GLU 13 Ca 0.26 -1.60 -0.11 0.00 0.02 0.00 0.00 54.97 53.54 2g35 s GLU 13 Cb -0.12 -1.14 -0.05 0.00 0.10 0.00 0.00 34.13 32.92 2g35 s GLU 13 CO 0.18 0.19 0.18 0.15 0.02 0.00 0.00 175.26 175.98 2g35 s LYS 14 N -3.64 4.01 0.58 1.61 3.01 -1.26 0.15 119.74 124.19 2g35 s LYS 14 Ca 0.23 -0.29 -0.18 0.00 -1.01 0.00 0.00 55.97 54.72 2g35 s LYS 14 Cb -0.01 -3.60 -0.04 0.00 -1.01 0.00 0.00 37.83 33.17 2g35 s LYS 14 CO 0.07 -0.06 1.13 -1.64 0.51 0.00 0.00 175.35 175.35 2g35 s MET 15 N 1.42 3.17 0.00 1.68 -1.94 -1.26 -4.82 119.30 117.55 2g35 s MET 15 Ca 0.07 1.55 0.00 0.00 -1.71 0.00 0.00 55.69 55.60 2g35 s MET 15 Cb -0.15 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.71 2g35 s MET 15 CO 0.08 -0.98 0.00 1.63 -0.01 0.00 0.00 175.02 175.74 2g35 n LYS 16 N -1.65 0.00 0.00 2.03 4.01 -1.26 -2.50 118.16 118.79 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 -0.27 0.38 3.65 0.72 0.00 -1.26 -5.06 105.19 103.35 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 -0.19 1.14 0.00 1.61 4.76 -1.04 -4.69 118.16 119.74 2g35 n LYS 18 Ca 0.00 0.41 0.04 0.00 -2.87 0.00 0.00 58.31 55.89 2g35 n LYS 18 Cb 0.00 -2.08 0.19 0.00 -1.84 0.00 0.00 35.03 31.31 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 4.04 0.00 -2.89 4.39 2.85 -1.26 -4.23 115.26 118.16 2g35 n ASN 19 Ca 0.23 0.05 -0.12 0.00 -0.11 0.00 0.00 54.58 54.63 2g35 n ASN 19 Cb 0.16 -0.20 0.10 0.00 1.24 0.00 0.00 39.78 41.08 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 -1.20 -1.55 -4.13 1.20 3.00 -1.26 -5.03 118.16 109.19 2g35 n LYS 20 Ca 0.04 -0.74 -0.10 0.00 -0.00 0.00 0.00 58.31 57.51 2g35 n LYS 20 Cb 0.05 -0.64 -0.10 0.00 0.00 0.00 0.00 35.03 34.34 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 2.47 -0.17 3.14 1.02 -1.26 -4.24 118.68 119.64 2g35 s LEU 21 Ca 0.29 -0.95 -0.00 0.00 0.02 0.00 0.00 54.13 53.49 2g35 s LEU 21 Cb -0.02 0.01 0.04 0.00 0.02 0.00 0.00 46.19 46.24 2g35 s LEU 21 CO 0.22 -0.48 -0.07 -0.69 0.02 0.00 0.00 176.35 175.35 2g35 s VAL 22 N -3.45 1.28 0.63 -1.59 1.01 0.38 -4.86 120.40 113.80 2g35 s VAL 22 Ca 0.08 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 2g35 s VAL 22 Cb 0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2g35 s VAL 22 CO -0.06 0.18 1.07 -2.65 0.00 0.00 0.00 175.10 173.64 2g35 n PRO 23 N 4.82 0.92 -3.67 2.72 -0.02 -1.26 -0.27 135.00 138.24 2g35 n PRO 23 Ca -0.13 0.36 -0.15 0.00 -2.02 0.00 0.00 63.50 61.57 2g35 n PRO 23 Cb 0.48 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 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 -3.01 0.76 -0.09 -0.52 6.06 0.43 -4.08 118.95 118.50 2g35 s ARG 24 Ca 0.79 0.21 -0.05 0.00 -2.50 0.00 0.00 55.73 54.18 2g35 s ARG 24 Cb -0.40 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.93 2g35 s ARG 24 CO 0.44 -0.19 0.10 -0.51 -2.50 0.00 0.00 175.30 172.65 2g35 s LEU 25 N -0.79 4.13 -0.24 -0.88 1.43 0.76 0.54 118.68 123.63 2g35 s LEU 25 Ca -0.09 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2g35 s LEU 25 Cb -0.03 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.17 2g35 s LEU 25 CO 0.05 0.37 -0.04 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N -1.15 2.57 -0.07 1.79 2.96 0.15 -0.02 118.68 124.91 2g35 s LEU 26 Ca 0.17 -1.22 -0.23 0.00 -0.22 0.00 0.00 54.13 52.63 2g35 s LEU 26 Cb -0.12 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2g35 s LEU 26 CO 0.06 -0.25 0.70 -0.83 -1.32 0.00 0.00 176.35 174.70 2g35 s GLY 27 N 1.41 2.62 -0.30 7.98 0.00 -0.91 -0.10 107.32 118.01 2g35 s GLY 27 Ca -0.04 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.77 2g35 s GLY 27 CO -0.07 1.17 0.02 -0.42 0.00 0.00 0.00 173.10 173.80 2g35 s ILE 28 N 0.80 3.30 0.31 0.90 -1.09 -0.97 -0.72 121.20 123.73 2g35 s ILE 28 Ca 0.37 -1.14 0.07 0.00 -2.23 0.00 0.00 60.65 57.72 2g35 s ILE 28 Cb -0.18 -2.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 2g35 s ILE 28 CO 0.18 -0.03 0.39 -0.89 -1.23 0.00 0.00 174.94 173.36 2g35 s THR 29 N 1.34 4.16 -0.59 2.92 2.01 0.21 -3.92 115.64 121.77 2g35 s THR 29 Ca -0.02 -1.12 0.25 0.00 0.31 0.00 0.00 61.69 61.12 2g35 s THR 29 Cb -0.19 -3.43 0.28 0.00 0.01 0.00 0.00 72.50 69.17 2g35 s THR 29 CO -0.00 -0.20 1.75 0.07 -0.69 0.00 0.00 174.62 175.55 2g35 h LYS 30 N 1.07 0.00 -0.00 4.92 2.10 -1.95 -3.15 116.57 119.56 2g35 h LYS 30 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2g35 h LYS 30 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2g35 h LYS 30 CO 0.56 0.00 -0.21 0.39 -2.00 0.00 0.00 179.45 178.19 2g35 n GLU 31 N -2.31 3.96 -3.69 0.07 1.02 -1.26 -4.83 120.64 113.61 2g35 n GLU 31 Ca 0.04 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2g35 n GLU 31 Cb 0.35 -0.85 -0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -2.57 2.18 0.06 0.00 1.01 -0.03 0.67 120.40 121.71 2g35 s VAL 33 Ca 0.15 -1.63 0.03 0.00 0.00 0.00 0.00 61.98 60.53 2g35 s VAL 33 Cb 0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2g35 s VAL 33 CO -0.02 0.17 -0.09 0.00 0.00 0.00 0.00 175.10 175.16 2g35 s MET 34 N -1.79 0.64 -0.20 2.72 0.23 0.10 0.94 119.30 121.94 2g35 s MET 34 Ca 0.13 -0.88 -0.18 0.00 -1.03 0.00 0.00 55.69 53.73 2g35 s MET 34 Cb -0.10 -0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 32.75 2g35 s MET 34 CO 0.05 0.07 0.48 1.03 -2.03 0.00 0.00 175.02 174.62 2g35 s ARG 35 N -1.91 4.19 -0.13 3.16 0.52 0.71 -2.15 118.95 123.33 2g35 s ARG 35 Ca -0.05 0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.52 2g35 s ARG 35 Cb -0.08 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.86 2g35 s ARG 35 CO 0.00 -0.11 -0.15 0.08 0.02 0.00 0.00 175.30 175.14 2g35 s VAL 36 N 1.51 1.59 0.48 3.52 1.01 0.98 0.21 120.40 129.70 2g35 s VAL 36 Ca 0.23 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2g35 s VAL 36 Cb -0.15 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 2g35 s VAL 36 CO 0.09 0.46 1.13 -0.62 0.00 0.00 0.00 175.10 176.16 2g35 s ASP 37 N 1.22 6.09 0.18 3.32 -1.08 -0.44 0.27 116.67 126.23 2g35 s ASP 37 Ca -0.01 2.21 0.22 0.00 -0.52 0.00 0.00 52.55 54.44 2g35 s ASP 37 Cb -0.14 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 38.71 2g35 s ASP 37 CO -0.06 -0.96 1.01 1.21 0.52 0.00 0.00 175.17 176.88 2g35 n GLU 38 N -0.75 0.61 0.01 4.34 0.00 -1.26 -0.83 120.64 122.75 2g35 n GLU 38 Ca 0.09 0.14 -0.11 0.00 0.00 0.00 0.00 57.16 57.28 2g35 n GLU 38 Cb 0.50 -1.82 -0.08 0.00 0.00 0.00 0.00 31.44 30.03 2g35 n GLU 38 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2g35 h LYS 39 N 0.00 -0.12 -0.02 5.31 3.64 -1.91 -3.34 116.57 120.13 2g35 h LYS 39 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2g35 h LYS 39 Cb 1.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2g35 h LYS 39 CO 0.01 0.41 -0.34 0.25 -2.27 0.00 0.00 179.45 177.51 2g35 n THR 40 N -4.83 0.00 -2.32 1.00 -2.24 -1.26 -4.94 114.28 99.69 2g35 n THR 40 Ca -0.08 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2g35 n THR 40 Cb 0.29 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.31 -2.18 -4.13 -0.78 5.02 -0.01 -4.92 118.16 111.46 2g35 n LYS 41 Ca 0.11 0.55 -0.23 0.00 -2.02 0.00 0.00 58.31 56.72 2g35 n LYS 41 Cb 0.50 -5.10 -0.06 0.00 -0.02 0.00 0.00 35.03 30.35 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 -4.78 2.45 -0.15 1.97 2.56 -1.24 -4.85 118.70 114.65 2g35 s GLU 42 Ca 0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 54.97 53.29 2g35 s GLU 42 Cb 0.00 -2.25 -0.02 0.00 2.00 0.00 0.00 34.13 33.87 2g35 s GLU 42 CO 0.00 0.22 0.83 0.08 -0.56 0.00 0.00 175.26 175.83 2g35 s VAL 43 N -2.35 4.89 -0.16 3.70 1.01 -1.26 -1.33 120.40 124.90 2g35 s VAL 43 Ca 0.36 1.65 0.18 0.00 0.00 0.00 0.00 61.98 64.16 2g35 s VAL 43 Cb -0.05 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.94 2g35 s VAL 43 CO 0.23 0.05 0.23 -0.38 0.00 0.00 0.00 175.10 175.22 2g35 n ILE 44 N 4.64 1.20 -3.78 2.22 2.08 0.55 -4.95 119.36 121.32 2g35 n ILE 44 Ca 0.04 -0.79 -0.09 0.00 0.56 0.00 0.00 62.75 62.47 2g35 n ILE 44 Cb 0.49 -0.47 -0.04 0.00 -0.75 0.00 0.00 39.64 38.88 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 -2.67 1.48 0.04 0.38 0.74 -1.12 -4.90 119.66 113.60 2g35 s GLN 45 Ca -0.09 -0.92 0.03 0.00 0.05 0.00 0.00 55.36 54.43 2g35 s GLN 45 Cb 0.07 0.53 -0.02 0.00 1.10 0.00 0.00 33.01 34.70 2g35 s GLN 45 CO 0.84 -0.64 -0.09 -1.21 -0.55 0.00 0.00 175.29 173.64 2g35 s GLU 46 N -3.90 0.58 0.02 1.67 2.02 -1.26 -0.21 118.70 117.63 2g35 s GLU 46 Ca 0.11 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2g35 s GLU 46 Cb -0.02 -0.42 -0.02 0.00 0.10 0.00 0.00 34.13 33.77 2g35 s GLU 46 CO 0.00 0.09 -0.04 -1.58 0.02 0.00 0.00 175.26 173.75 2g35 s TRP 47 N -1.16 0.32 0.10 1.61 0.51 0.27 -4.95 118.94 115.64 2g35 s TRP 47 Ca -0.07 -0.44 -0.26 0.00 -2.12 0.00 0.00 56.10 53.21 2g35 s TRP 47 Cb -0.09 -0.21 -0.07 0.00 -0.81 0.00 0.00 33.47 32.29 2g35 s TRP 47 CO 0.01 -0.14 0.80 -1.12 -0.51 0.00 0.00 176.95 175.99 2g35 s SER 48 N -1.26 7.32 0.55 2.95 0.01 -1.26 -0.85 113.70 121.16 2g35 s SER 48 Ca -0.12 1.58 0.30 0.00 1.31 0.00 0.00 55.95 59.01 2g35 s SER 48 Cb -0.08 -2.50 1.61 0.00 0.21 0.00 0.00 66.02 65.26 2g35 s SER 48 CO -0.01 0.08 2.13 -0.07 0.41 0.00 0.00 173.24 175.79 2g35 h LEU 49 N 5.12 0.00 -0.13 2.44 3.38 -1.85 -0.12 115.31 124.15 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 0.08 -0.04 0.35 0.09 0.00 0.00 178.44 179.61 2g35 n THR 50 N -3.60 0.00 0.06 0.22 -2.24 -1.26 -3.28 114.28 104.18 2g35 n THR 50 Ca -0.02 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 2g35 n THR 50 Cb 0.19 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.02 0.65 -4.68 3.42 4.13 -0.06 -4.87 115.26 112.83 2g35 n ASN 51 Ca 0.17 0.26 -0.42 0.00 1.68 0.00 0.00 54.58 56.27 2g35 n ASN 51 Cb 0.23 0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 39.16 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 -3.27 3.10 -0.23 2.41 1.01 -1.21 -4.34 121.20 118.68 2g35 s ILE 52 Ca -0.03 0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 2g35 s ILE 52 Cb 0.10 -3.30 -0.15 0.00 0.01 0.00 0.00 42.46 39.12 2g35 s ILE 52 CO 0.82 -0.01 -0.01 1.17 0.00 0.00 0.00 174.94 176.91 2g35 n LYS 53 N 5.99 0.56 -3.98 2.79 4.81 0.34 -4.97 118.16 123.70 2g35 n LYS 53 Ca 0.16 0.47 -0.11 0.00 -0.87 0.00 0.00 58.31 57.96 2g35 n LYS 53 Cb 0.41 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.42 1.88 0.28 1.64 1.70 -1.21 -4.99 118.95 115.83 2g35 s ARG 54 Ca -0.31 -1.50 -0.18 0.00 -0.47 0.00 0.00 55.73 53.27 2g35 s ARG 54 Cb 0.08 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.98 2g35 s ARG 54 CO 0.53 -0.81 0.65 1.67 -1.08 0.00 0.00 175.30 176.26 2g35 s TRP 55 N -3.20 0.00 -0.21 5.89 -2.14 -1.26 -1.26 118.94 116.76 2g35 s TRP 55 Ca 0.24 -0.44 -0.04 0.00 2.66 0.00 0.00 56.10 58.51 2g35 s TRP 55 Cb -0.02 0.56 0.11 0.00 -3.10 0.00 0.00 33.47 31.02 2g35 s TRP 55 CO 0.14 -1.19 0.28 0.00 -2.66 0.00 0.00 176.95 173.52 2g35 s ALA 56 N -3.83 -0.59 -0.46 2.67 0.00 -0.39 -4.95 121.76 114.21 2g35 s ALA 56 Ca 0.15 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 2g35 s ALA 56 Cb -0.04 -1.43 0.05 0.00 0.00 0.00 0.00 23.12 21.70 2g35 s ALA 56 CO 0.08 -1.18 0.41 0.00 0.00 0.00 0.00 175.76 175.07 2g35 s ALA 57 N 2.41 3.51 0.38 0.00 0.00 -1.26 -1.73 121.76 125.07 2g35 s ALA 57 Ca 0.08 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2g35 s ALA 57 Cb -0.15 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2g35 s ALA 57 CO -0.13 -1.69 0.59 -1.12 0.00 0.00 0.00 175.76 173.40 2g35 s SER 58 N 2.32 6.17 0.00 0.00 0.01 0.15 -4.68 113.70 117.67 2g35 s SER 58 Ca 0.07 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2g35 s SER 58 Cb -0.22 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2g35 s SER 58 CO 0.09 -0.41 0.37 -0.81 0.41 0.00 0.00 173.24 172.89 2g35 n PRO 59 N -1.87 0.00 0.00 12.44 -0.04 -1.26 -2.88 135.00 141.39 2g35 n PRO 59 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2g35 n PRO 59 Cb 0.57 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.86 1.08 -4.50 0.54 2.85 -1.18 -4.62 118.16 111.47 2g35 n LYS 60 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2g35 n LYS 60 Cb 0.00 -0.33 -0.11 0.00 -0.65 0.00 0.00 35.03 33.95 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 -0.73 3.04 -0.03 -5.58 1.04 -1.14 0.29 113.70 110.60 2g35 s SER 61 Ca 0.00 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.11 2g35 s SER 61 Cb 0.00 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.90 2g35 s SER 61 CO 0.00 -0.44 0.07 0.12 0.98 0.00 0.00 173.24 173.97 2g35 s PHE 62 N -2.98 -0.08 0.02 5.02 5.36 -0.62 0.32 117.98 125.03 2g35 s PHE 62 Ca 0.34 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.49 2g35 s PHE 62 Cb 0.07 0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.75 2g35 s PHE 62 CO 0.15 -0.04 -0.01 0.99 -1.46 0.00 0.00 175.22 174.85 2g35 s THR 63 N 0.08 0.10 0.05 0.12 2.01 -0.70 -1.79 115.64 115.50 2g35 s THR 63 Ca -0.00 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2g35 s THR 63 Cb -0.01 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 2g35 s THR 63 CO -0.00 -0.45 -0.05 -1.48 -0.69 0.00 0.00 174.62 171.95 2g35 s LEU 64 N -1.33 2.37 -0.08 4.42 2.34 -0.96 -1.26 118.68 124.19 2g35 s LEU 64 Ca -0.14 -0.75 0.00 0.00 0.06 0.00 0.00 54.13 53.29 2g35 s LEU 64 Cb -0.09 0.03 0.02 0.00 -0.56 0.00 0.00 46.19 45.60 2g35 s LEU 64 CO -0.01 -0.40 -0.07 -1.81 -1.06 0.00 0.00 176.35 173.01 2g35 s ASP 65 N -2.22 1.74 0.00 1.48 1.11 -0.39 -2.54 116.67 115.86 2g35 s ASP 65 Ca -0.03 -0.23 0.26 0.00 0.18 0.00 0.00 52.55 52.74 2g35 s ASP 65 Cb -0.02 -0.69 0.70 0.00 1.07 0.00 0.00 42.92 43.98 2g35 s ASP 65 CO -0.04 -0.08 1.54 0.49 1.18 0.00 0.00 175.17 178.26 2g35 n PHE 66 N 4.54 0.00 -0.55 4.23 3.72 -1.26 0.13 117.46 128.26 2g35 n PHE 66 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2g35 n PHE 66 Cb 0.51 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.27 1.83 3.43 1.37 0.00 -1.26 -4.69 105.19 107.13 2g35 n GLY 67 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.40 6.49 0.26 1.61 1.01 -1.26 -4.88 116.67 116.50 2g35 s ASP 68 Ca 0.00 -1.83 -0.03 0.00 0.71 0.00 0.00 52.55 51.40 2g35 s ASP 68 Cb 0.00 -2.37 0.53 0.00 1.01 0.00 0.00 42.92 42.09 2g35 s ASP 68 CO 0.00 -1.09 1.67 0.22 0.21 0.00 0.00 175.17 176.18 2g35 h TYR 69 N 8.91 0.27 -0.12 4.23 3.20 -1.92 0.26 116.97 131.80 2g35 h TYR 69 Ca 0.01 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2g35 h TYR 69 Cb 1.04 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 2g35 h TYR 69 CO 1.07 -0.13 -0.46 -0.56 -1.64 0.00 0.00 178.16 176.44 2g35 h GLN 70 N 0.24 -0.46 -0.14 1.82 -0.00 -2.03 0.23 115.11 114.77 2g35 h GLN 70 Ca 0.45 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 59.14 2g35 h GLN 70 Cb 0.82 0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 28.40 2g35 h GLN 70 CO -0.57 -0.31 0.09 0.22 -0.00 0.00 0.00 178.83 178.26 2g35 h ASP 71 N -0.48 0.16 -3.82 0.06 3.58 -1.63 -3.48 116.42 110.81 2g35 h ASP 71 Ca 0.03 -0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.59 2g35 h ASP 71 Cb 0.57 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.53 2g35 h ASP 71 CO -0.37 0.13 -0.28 0.61 -2.88 0.00 0.00 179.24 176.45 2g35 n GLY 72 N -1.50 -2.11 3.75 -0.78 0.00 0.81 -4.88 105.19 100.48 2g35 n GLY 72 Ca -0.01 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 2g35 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g35 s TYR 73 N -2.31 2.50 -0.23 1.61 2.02 -1.26 -4.73 117.35 114.95 2g35 s TYR 73 Ca 0.00 1.31 -0.02 0.00 -0.37 0.00 0.00 57.07 58.00 2g35 s TYR 73 Cb 0.00 -3.12 0.07 0.00 -0.40 0.00 0.00 41.96 38.51 2g35 s TYR 73 CO 0.00 -2.10 0.03 -0.47 -1.57 0.00 0.00 175.55 171.44 2g35 s TYR 74 N -2.97 1.51 0.13 2.71 5.04 -1.05 -5.01 117.35 117.71 2g35 s TYR 74 Ca 0.62 -1.26 0.07 0.00 -2.44 0.00 0.00 57.07 54.06 2g35 s TYR 74 Cb -0.17 -1.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.80 2g35 s TYR 74 CO 0.56 -0.71 -0.16 0.45 -1.34 0.00 0.00 175.55 174.35 2g35 s SER 75 N 1.69 2.27 0.28 4.32 0.15 -1.26 -2.26 113.70 118.89 2g35 s SER 75 Ca -0.00 -0.81 -0.12 0.00 0.70 0.00 0.00 55.95 55.73 2g35 s SER 75 Cb -0.18 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2g35 s SER 75 CO -0.11 -0.08 0.52 0.68 1.20 0.00 0.00 173.24 175.45 2g35 s VAL 76 N -1.96 0.00 0.28 4.45 -7.23 -0.74 -4.90 120.40 110.30 2g35 s VAL 76 Ca 0.10 -1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 58.61 2g35 s VAL 76 Cb -0.06 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 2g35 s VAL 76 CO 0.04 0.00 0.99 -1.10 -0.31 0.00 0.00 175.10 174.72 2g35 s GLN 77 N -3.69 4.70 -0.21 4.82 -1.52 0.16 -1.58 119.66 122.33 2g35 s GLN 77 Ca 0.23 1.54 -0.05 0.00 -1.95 0.00 0.00 55.36 55.13 2g35 s GLN 77 Cb -0.01 -3.11 0.11 0.00 -0.22 0.00 0.00 33.01 29.77 2g35 s GLN 77 CO 0.11 0.34 0.40 0.95 -0.25 0.00 0.00 175.29 176.84 2g35 s THR 78 N -1.29 -0.62 0.33 -0.19 -4.23 0.83 -3.06 115.64 107.41 2g35 s THR 78 Ca 0.45 0.08 0.33 0.00 -1.18 0.00 0.00 61.69 61.37 2g35 s THR 78 Cb -0.26 -0.72 0.36 0.00 1.34 0.00 0.00 72.50 73.22 2g35 s THR 78 CO 0.32 -0.01 2.09 0.74 -0.54 0.00 0.00 174.62 177.23 2g35 h THR 79 N 6.18 0.23 -0.69 3.99 2.02 -1.83 -3.07 112.91 119.73 2g35 h THR 79 Ca -0.17 -0.46 -0.33 0.00 0.77 0.00 0.00 66.41 66.22 2g35 h THR 79 Cb 1.13 1.36 -0.40 0.00 -1.74 0.00 0.00 68.15 68.50 2g35 h THR 79 CO 0.18 0.06 -1.09 -1.84 0.37 0.00 0.00 175.52 173.20 2g35 n GLU 80 N -3.29 1.84 0.23 6.66 0.00 -1.26 -4.56 120.64 120.27 2g35 n GLU 80 Ca -0.01 -3.56 0.04 0.00 0.00 0.00 0.00 57.16 53.63 2g35 n GLU 80 Cb 0.24 -1.60 0.22 0.00 0.00 0.00 0.00 31.44 30.29 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2g35 h GLY 81 N 2.68 0.00 0.85 -1.84 0.00 -1.67 0.93 103.07 104.01 2g35 h GLY 81 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2g35 h GLY 81 CO 0.37 0.00 -0.30 -2.09 0.00 0.00 0.00 176.54 174.53 2g35 h GLU 82 N 0.00 -0.80 -0.65 4.80 4.81 -1.83 -1.53 114.58 119.38 2g35 h GLU 82 Ca 0.00 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 2g35 h GLU 82 Cb 1.27 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.73 2g35 h GLU 82 CO 0.00 -0.49 0.11 1.96 -0.73 0.00 0.00 179.01 179.86 2g35 h GLN 83 N -0.99 0.22 -0.78 1.92 4.20 -1.22 1.37 115.11 119.82 2g35 h GLN 83 Ca -0.08 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.75 2g35 h GLN 83 Cb 0.68 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 2g35 h GLN 83 CO 0.14 0.14 0.51 0.82 -0.67 0.00 0.00 178.83 179.78 2g35 h ILE 84 N 0.22 0.82 0.00 2.54 1.08 -1.53 1.42 117.51 122.06 2g35 h ILE 84 Ca 0.35 -0.17 -0.16 0.00 -0.39 0.00 0.00 64.86 64.49 2g35 h ILE 84 Cb 0.56 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 2g35 h ILE 84 CO -0.47 0.09 -1.00 0.00 -0.69 0.00 0.00 178.15 176.08 2g35 h ALA 85 N 1.64 0.61 0.14 1.87 0.00 0.22 -2.46 119.26 121.27 2g35 h ALA 85 Ca 0.38 -0.76 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 2g35 h ALA 85 Cb 0.79 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2g35 h ALA 85 CO -0.13 0.94 -1.34 0.37 0.00 0.00 0.00 179.25 179.08 2g35 h GLN 86 N 0.00 0.29 -0.13 0.00 4.15 0.46 0.34 115.11 120.22 2g35 h GLN 86 Ca -0.08 -0.50 -0.19 0.00 0.77 0.00 0.00 58.65 58.65 2g35 h GLN 86 Cb 1.59 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 29.46 2g35 h GLN 86 CO 0.07 1.22 -0.70 1.25 -1.93 0.00 0.00 178.83 178.74 2g35 h LEU 87 N 0.08 0.65 0.07 -2.39 5.85 0.17 -2.27 115.31 117.46 2g35 h LEU 87 Ca -0.17 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.02 2g35 h LEU 87 Cb 2.00 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.86 2g35 h LEU 87 CO 0.20 1.16 -0.49 0.40 -0.34 0.00 0.00 178.44 179.37 2g35 h ILE 88 N 0.39 1.59 0.00 4.05 2.04 -1.48 -3.07 117.51 121.02 2g35 h ILE 88 Ca -0.03 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.48 2g35 h ILE 88 Cb 1.29 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.50 2g35 h ILE 88 CO 0.13 0.65 0.00 0.00 0.00 0.00 0.00 178.15 178.93 2g35 h ALA 89 N 0.11 1.00 0.00 1.87 0.00 -0.37 -0.66 119.26 121.21 2g35 h ALA 89 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2g35 h ALA 89 Cb 1.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2g35 h ALA 89 CO 0.09 0.00 -1.21 0.78 0.00 0.00 0.00 179.25 178.91 2g35 h GLY 90 N 0.03 0.00 1.55 0.00 0.00 -1.36 -3.34 103.07 99.96 2g35 h GLY 90 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2g35 h GLY 90 CO 0.00 0.00 -0.60 -0.97 0.00 0.00 0.00 176.54 174.97 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -1.04 -3.28 116.97 118.31 2g35 h TYR 91 Ca -0.12 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 2g35 h TYR 91 Cb 1.53 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.26 2g35 h TYR 91 CO 0.00 0.18 -0.27 0.82 -1.05 0.00 0.00 178.16 177.84 2g35 h ILE 92 N 0.00 0.61 0.00 -2.88 2.04 -1.60 -2.79 117.51 112.90 2g35 h ILE 92 Ca -0.02 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.55 2g35 h ILE 92 Cb 1.16 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2g35 h ILE 92 CO 0.02 0.26 -0.47 0.44 0.00 0.00 0.00 178.15 178.40 2g35 h ASP 93 N 0.00 0.00 0.95 1.72 3.32 -1.69 -3.12 116.42 117.60 2g35 h ASP 93 Ca -0.00 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 2g35 h ASP 93 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 2g35 h ASP 93 CO 0.03 0.00 -1.12 0.40 -1.72 0.00 0.00 179.24 176.84 2g35 h ILE 94 N 0.00 0.67 0.13 0.35 2.04 -1.59 -2.95 117.51 116.16 2g35 h ILE 94 Ca 0.00 -2.13 -0.30 0.00 1.00 0.00 0.00 64.86 63.42 2g35 h ILE 94 Cb 0.99 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 2g35 h ILE 94 CO 0.00 0.38 -1.48 0.16 0.00 0.00 0.00 178.15 177.21 2g35 h ILE 95 N 0.00 1.22 0.00 -0.67 3.07 -1.58 -3.26 117.51 116.29 2g35 h ILE 95 Ca -0.11 -2.83 -0.03 0.00 1.55 0.00 0.00 64.86 63.44 2g35 h ILE 95 Cb 1.54 2.81 -0.00 0.00 -0.27 0.00 0.00 36.82 40.89 2g35 h ILE 95 CO 0.06 0.83 -0.13 -0.07 -1.05 0.00 0.00 178.15 177.78 2g35 h LEU 96 N 0.07 0.00 -0.94 0.16 3.38 -1.66 -3.10 115.31 113.22 2g35 h LEU 96 Ca -0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2g35 h LEU 96 Cb 2.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.73 2g35 h LEU 96 CO 0.18 0.13 0.34 0.50 0.09 0.00 0.00 178.44 179.68 2g35 h LYS 97 N 0.00 1.10 0.13 1.13 3.11 -1.55 0.54 116.57 121.03 2g35 h LYS 97 Ca -0.00 -0.17 -0.01 0.00 -2.81 0.00 0.00 60.65 57.66 2g35 h LYS 97 Cb 0.85 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 2g35 h LYS 97 CO 0.02 0.87 -0.06 0.87 -2.81 0.00 0.00 179.45 178.33 2g35 h LYS 98 N 1.09 -0.17 0.00 1.90 1.79 -1.66 -2.93 116.57 116.59 2g35 h LYS 98 Ca 0.26 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2g35 h LYS 98 Cb 0.15 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2g35 h LYS 98 CO -0.03 0.26 0.00 0.87 -1.08 0.00 0.00 179.45 179.47 2g35 h LYS 99 N -0.69 0.00 0.00 3.15 6.56 -1.54 -3.53 116.57 120.52 2g35 h LYS 99 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2g35 h LYS 99 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2g35 h LYS 99 CO 0.03 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.05