#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 0.02 -0.05 1.96 4.01 -1.26 -2.42 118.16 120.42 2g35 n LYS 2 Ca 0.00 0.05 -0.01 0.00 -0.51 0.00 0.00 58.31 57.84 2g35 n LYS 2 Cb 0.00 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.02 2g35 n LYS 2 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 2g35 h THR 3 N 0.00 0.00 0.00 -0.18 2.02 -1.99 -3.46 112.91 109.30 2g35 h THR 3 Ca 0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2g35 h THR 3 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2g35 h THR 3 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2g35 n TYR 4 N -4.56 0.00 -2.66 3.16 4.19 -1.02 -3.14 117.16 113.13 2g35 n TYR 4 Ca -0.01 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.16 2g35 n TYR 4 Cb 0.03 0.00 0.07 0.00 0.49 0.00 0.00 39.34 39.94 2g35 n TYR 4 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2g35 n GLY 5 N 0.00 -1.80 3.15 2.98 0.00 -1.26 -5.16 105.19 103.10 2g35 n GLY 5 Ca 0.00 1.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.85 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 0.20 1.27 -0.38 1.61 1.01 -1.19 -5.02 120.40 117.91 2g35 s VAL 6 Ca 0.26 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 2g35 s VAL 6 Cb 0.20 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2g35 s VAL 6 CO -0.08 0.33 0.97 -0.44 0.00 0.00 0.00 175.10 175.88 2g35 s SER 7 N -0.45 6.70 -0.21 3.32 0.01 -1.26 -4.85 113.70 116.96 2g35 s SER 7 Ca 0.06 0.61 -0.17 0.00 1.31 0.00 0.00 55.95 57.76 2g35 s SER 7 Cb -0.06 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2g35 s SER 7 CO -0.00 -0.91 0.47 -0.36 0.41 0.00 0.00 173.24 172.84 2g35 s PHE 8 N 3.62 3.35 -0.19 2.43 0.08 -1.26 -2.00 117.98 124.02 2g35 s PHE 8 Ca 0.40 0.68 -0.08 0.00 0.12 0.00 0.00 56.93 58.05 2g35 s PHE 8 Cb -0.11 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 2g35 s PHE 8 CO 0.20 -0.11 0.08 -0.06 -0.10 0.00 0.00 175.22 175.23 2g35 s PHE 9 N 1.66 3.30 -0.24 0.36 0.40 -0.25 -4.74 117.98 118.47 2g35 s PHE 9 Ca 0.21 0.15 -0.29 0.00 -0.60 0.00 0.00 56.93 56.40 2g35 s PHE 9 Cb -0.15 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.28 2g35 s PHE 9 CO 0.09 0.19 1.15 -1.17 0.70 0.00 0.00 175.22 176.19 2g35 s LEU 10 N 0.37 4.05 0.10 -0.37 0.20 -1.26 -1.48 118.68 120.29 2g35 s LEU 10 Ca 0.04 1.37 0.05 0.00 0.69 0.00 0.00 54.13 56.29 2g35 s LEU 10 Cb -0.12 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.07 2g35 s LEU 10 CO -0.00 -0.80 -0.13 0.68 -0.29 0.00 0.00 176.35 175.80 2g35 s VAL 11 N 3.56 1.14 0.02 1.68 -7.23 0.13 -4.83 120.40 114.88 2g35 s VAL 11 Ca 0.49 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2g35 s VAL 11 Cb -0.17 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 2g35 s VAL 11 CO 0.13 -0.39 0.02 -0.54 -0.31 0.00 0.00 175.10 174.01 2g35 s LYS 12 N -2.39 2.81 0.27 4.82 1.02 -1.17 0.17 119.74 125.27 2g35 s LYS 12 Ca 0.04 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.50 2g35 s LYS 12 Cb -0.06 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 2g35 s LYS 12 CO 0.02 0.61 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.68 2g35 s GLU 13 N -1.78 1.59 -0.32 1.68 2.02 0.11 -0.77 118.70 121.24 2g35 s GLU 13 Ca 0.22 -1.74 -0.10 0.00 0.02 0.00 0.00 54.97 53.37 2g35 s GLU 13 Cb -0.12 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 2g35 s GLU 13 CO 0.13 0.25 0.17 0.15 0.02 0.00 0.00 175.26 175.99 2g35 s LYS 14 N -3.57 3.34 0.55 1.61 3.01 -1.26 0.11 119.74 123.53 2g35 s LYS 14 Ca 0.28 -0.73 -0.19 0.00 -1.01 0.00 0.00 55.97 54.32 2g35 s LYS 14 Cb -0.03 -3.62 -0.05 0.00 -1.01 0.00 0.00 37.83 33.12 2g35 s LYS 14 CO 0.13 -0.44 1.13 -1.64 0.51 0.00 0.00 175.35 175.04 2g35 s MET 15 N 1.63 3.29 0.00 1.68 -1.94 -1.26 -4.76 119.30 117.94 2g35 s MET 15 Ca 0.05 1.62 0.00 0.00 -1.71 0.00 0.00 55.69 55.64 2g35 s MET 15 Cb -0.17 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.67 2g35 s MET 15 CO 0.07 -0.90 0.00 1.63 -0.01 0.00 0.00 175.02 175.81 2g35 n LYS 16 N -1.39 0.00 0.00 2.03 4.01 -1.26 -1.71 118.16 119.84 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 1.00 3.66 0.72 0.00 -1.26 -5.08 105.19 104.22 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 1.40 0.00 1.61 4.76 -0.69 -4.69 118.16 120.54 2g35 n LYS 18 Ca 0.00 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2g35 n LYS 18 Cb 0.15 -2.21 0.02 0.00 -1.84 0.00 0.00 35.03 31.16 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 4.22 0.00 -2.97 4.39 4.13 -1.26 -4.42 115.26 119.36 2g35 n ASN 19 Ca 0.22 0.36 -0.13 0.00 1.68 0.00 0.00 54.58 56.71 2g35 n ASN 19 Cb 0.19 -0.37 0.11 0.00 -1.54 0.00 0.00 39.78 38.17 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2g35 n LYS 20 N -1.37 -2.06 -4.04 3.52 3.00 -1.26 -5.06 118.16 110.89 2g35 n LYS 20 Ca 0.00 -0.74 -0.08 0.00 -0.00 0.00 0.00 58.31 57.50 2g35 n LYS 20 Cb 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 35.03 34.23 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 2.33 -0.18 3.14 1.43 -1.26 -4.47 118.68 119.66 2g35 s LEU 21 Ca 0.30 -0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2g35 s LEU 21 Cb -0.03 0.27 0.04 0.00 0.03 0.00 0.00 46.19 46.50 2g35 s LEU 21 CO 0.23 -0.55 -0.05 -0.69 0.23 0.00 0.00 176.35 175.52 2g35 s VAL 22 N -3.41 1.17 0.58 -1.59 1.01 0.31 -4.85 120.40 113.61 2g35 s VAL 22 Ca 0.02 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2g35 s VAL 22 Cb 0.04 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2g35 s VAL 22 CO -0.08 0.09 1.13 -2.65 0.00 0.00 0.00 175.10 173.59 2g35 n PRO 23 N 4.85 1.20 -3.68 2.72 -0.02 -1.26 0.07 135.00 138.88 2g35 n PRO 23 Ca -0.12 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2g35 n PRO 23 Cb 0.47 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 2g35 n PRO 23 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2g35 s ARG 24 N -2.82 0.74 -0.09 -0.52 6.06 0.46 -4.07 118.95 118.71 2g35 s ARG 24 Ca 0.75 0.24 -0.04 0.00 -2.50 0.00 0.00 55.73 54.18 2g35 s ARG 24 Cb -0.42 0.34 -0.04 0.00 0.06 0.00 0.00 34.95 34.89 2g35 s ARG 24 CO 0.47 -0.18 0.08 -0.51 -2.50 0.00 0.00 175.30 172.66 2g35 s LEU 25 N -0.72 4.00 -0.24 -0.88 1.43 0.63 0.22 118.68 123.14 2g35 s LEU 25 Ca -0.08 0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2g35 s LEU 25 Cb -0.03 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.26 2g35 s LEU 25 CO 0.04 0.38 -0.00 -0.22 0.23 0.00 0.00 176.35 176.78 2g35 s LEU 26 N -1.06 2.18 -0.10 1.79 2.96 -0.55 0.05 118.68 123.95 2g35 s LEU 26 Ca 0.15 -1.16 -0.26 0.00 -0.22 0.00 0.00 54.13 52.64 2g35 s LEU 26 Cb -0.12 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2g35 s LEU 26 CO 0.05 -0.29 0.86 -0.83 -1.32 0.00 0.00 176.35 174.82 2g35 s GLY 27 N 1.55 2.44 -0.36 7.98 0.00 -0.04 -1.09 107.32 117.79 2g35 s GLY 27 Ca -0.02 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 2g35 s GLY 27 CO -0.09 1.59 0.20 -0.42 0.00 0.00 0.00 173.10 174.37 2g35 s ILE 28 N 1.56 4.58 0.31 0.90 -1.09 -0.85 0.27 121.20 126.88 2g35 s ILE 28 Ca 0.42 -0.77 0.08 0.00 -2.23 0.00 0.00 60.65 58.16 2g35 s ILE 28 Cb -0.18 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2g35 s ILE 28 CO 0.18 -0.17 0.20 -0.89 -1.23 0.00 0.00 174.94 173.02 2g35 s THR 29 N 1.57 3.56 -0.05 2.92 2.01 0.63 -4.10 115.64 122.18 2g35 s THR 29 Ca 0.03 -1.53 0.28 0.00 0.31 0.00 0.00 61.69 60.78 2g35 s THR 29 Cb -0.19 -3.13 0.34 0.00 0.01 0.00 0.00 72.50 69.53 2g35 s THR 29 CO 0.07 -0.24 1.84 0.07 -0.69 0.00 0.00 174.62 175.67 2g35 h LYS 30 N 1.46 0.00 0.00 4.92 2.10 -1.97 -3.12 116.57 119.96 2g35 h LYS 30 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 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 0.60 0.06 -1.82 0.39 -2.00 0.00 0.00 179.45 176.69 2g35 n GLU 31 N -3.15 0.60 -3.63 0.07 1.02 -1.26 -4.87 120.64 109.42 2g35 n GLU 31 Ca 0.02 -0.16 -0.01 0.00 -0.02 0.00 0.00 57.16 56.98 2g35 n GLU 31 Cb 0.40 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.58 5.39 -0.13 0.00 1.01 0.30 -0.26 120.40 124.13 2g35 s VAL 33 Ca 0.12 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 2g35 s VAL 33 Cb 0.02 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2g35 s VAL 33 CO -0.03 0.50 0.10 -0.04 0.00 0.00 0.00 175.10 175.63 2g35 s MET 34 N -0.22 3.51 -0.27 2.72 1.00 0.76 -0.55 119.30 126.24 2g35 s MET 34 Ca 0.14 -0.23 -0.17 0.00 0.00 0.00 0.00 55.69 55.43 2g35 s MET 34 Cb -0.12 -3.14 -0.03 0.00 0.00 0.00 0.00 34.83 31.54 2g35 s MET 34 CO 0.03 0.64 0.48 1.03 0.00 0.00 0.00 175.02 177.19 2g35 s ARG 35 N -0.64 4.00 -0.08 2.03 0.52 0.87 -0.86 118.95 124.78 2g35 s ARG 35 Ca 0.12 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.53 2g35 s ARG 35 Cb -0.12 -3.67 0.02 0.00 0.52 0.00 0.00 34.95 31.70 2g35 s ARG 35 CO 0.02 -0.37 -0.11 0.08 0.02 0.00 0.00 175.30 174.94 2g35 s VAL 36 N 2.26 1.15 0.48 3.52 1.01 0.11 0.16 120.40 129.08 2g35 s VAL 36 Ca 0.19 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 2g35 s VAL 36 Cb -0.16 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 2g35 s VAL 36 CO 0.10 0.37 1.10 -0.62 0.00 0.00 0.00 175.10 176.04 2g35 s ASP 37 N 0.93 6.19 0.22 3.32 -1.08 -0.70 0.23 116.67 125.78 2g35 s ASP 37 Ca -0.09 2.10 0.22 0.00 -0.52 0.00 0.00 52.55 54.27 2g35 s ASP 37 Cb -0.15 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.75 2g35 s ASP 37 CO 0.00 -0.89 1.08 -0.08 0.52 0.00 0.00 175.17 175.80 2g35 h GLU 38 N 1.72 0.00 0.07 4.34 4.22 -1.85 -0.12 114.58 122.96 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2g35 h GLU 38 CO 0.59 0.00 -0.03 -0.22 -2.18 0.00 0.00 179.01 177.17 2g35 h LYS 39 N 0.00 -0.09 -0.02 1.92 3.64 -1.91 -3.34 116.57 116.76 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 1.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2g35 h LYS 39 CO 0.00 0.49 -0.14 0.25 -2.27 0.00 0.00 179.45 177.78 2g35 n THR 40 N -4.80 0.00 -1.72 1.00 -2.24 -1.26 -4.93 114.28 100.33 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 0.30 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 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 0.90 -1.67 -3.78 -0.78 4.01 -0.06 -4.90 118.16 111.89 2g35 n LYS 41 Ca 0.12 0.51 -0.20 0.00 -0.51 0.00 0.00 58.31 58.22 2g35 n LYS 41 Cb 0.54 -4.83 -0.02 0.00 -0.51 0.00 0.00 35.03 30.21 2g35 n LYS 41 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2g35 s GLU 42 N -3.64 3.21 -0.17 1.97 2.56 -1.25 -4.83 118.70 116.56 2g35 s GLU 42 Ca 0.00 -0.93 -0.26 0.00 0.00 0.00 0.00 54.97 53.78 2g35 s GLU 42 Cb 0.00 -2.80 -0.01 0.00 2.00 0.00 0.00 34.13 33.32 2g35 s GLU 42 CO 0.00 0.26 0.86 0.08 -0.56 0.00 0.00 175.26 175.90 2g35 s VAL 43 N -2.09 4.86 -0.16 3.70 1.01 -1.26 -1.71 120.40 124.74 2g35 s VAL 43 Ca 0.39 1.70 0.16 0.00 0.00 0.00 0.00 61.98 64.23 2g35 s VAL 43 Cb -0.09 -4.17 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 2g35 s VAL 43 CO 0.29 0.01 0.22 -0.38 0.00 0.00 0.00 175.10 175.24 2g35 n ILE 44 N 4.77 1.45 -3.63 2.22 2.08 0.42 -4.95 119.36 121.72 2g35 n ILE 44 Ca 0.05 -0.83 -0.03 0.00 0.56 0.00 0.00 62.75 62.50 2g35 n ILE 44 Cb 0.49 -0.65 -0.01 0.00 -0.75 0.00 0.00 39.64 38.71 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 -2.52 0.67 0.14 0.38 0.74 -1.09 -4.95 119.66 113.03 2g35 s GLN 45 Ca -0.09 -0.33 0.04 0.00 0.05 0.00 0.00 55.36 55.02 2g35 s GLN 45 Cb 0.07 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.39 2g35 s GLN 45 CO 0.82 -0.30 -0.09 -1.21 -0.55 0.00 0.00 175.29 173.95 2g35 s GLU 46 N -2.79 1.01 0.00 1.67 2.02 -1.26 0.30 118.70 119.65 2g35 s GLU 46 Ca 0.11 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2g35 s GLU 46 Cb 0.01 -0.53 -0.00 0.00 0.10 0.00 0.00 34.13 33.70 2g35 s GLU 46 CO -0.03 0.05 -0.02 -1.58 0.02 0.00 0.00 175.26 173.71 2g35 s TRP 47 N -3.38 0.13 0.19 1.61 0.52 0.29 -4.93 118.94 113.37 2g35 s TRP 47 Ca 0.16 -0.10 -0.30 0.00 0.02 0.00 0.00 56.10 55.87 2g35 s TRP 47 Cb 0.03 -0.09 -0.08 0.00 -1.15 0.00 0.00 33.47 32.18 2g35 s TRP 47 CO -0.01 -0.03 1.23 0.45 0.02 0.00 0.00 176.95 178.62 2g35 s SER 48 N -0.27 7.03 0.63 2.95 0.15 -1.26 -0.53 113.70 122.39 2g35 s SER 48 Ca -0.02 2.28 0.40 0.00 0.70 0.00 0.00 55.95 59.31 2g35 s SER 48 Cb -0.02 -2.61 2.11 0.00 -1.71 0.00 0.00 66.02 63.80 2g35 s SER 48 CO -0.00 -0.42 2.27 -0.07 1.20 0.00 0.00 173.24 176.22 2g35 h LEU 49 N 5.32 0.00 0.00 3.45 3.38 -1.88 0.18 115.31 125.76 2g35 h LEU 49 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 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 0.75 0.01 -0.15 0.35 0.09 0.00 0.00 178.44 179.49 2g35 n THR 50 N -3.18 0.02 0.13 0.22 -2.24 -1.26 -3.32 114.28 104.65 2g35 n THR 50 Ca -0.02 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 2g35 n THR 50 Cb 0.13 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.00 -2.55 3.42 -0.26 -0.98 -3.44 115.58 111.77 2g35 h ASN 51 Ca 0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 2g35 h ASN 51 Cb 0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2g35 h ASN 51 CO 0.00 0.30 1.19 -0.63 -1.06 0.00 0.00 177.43 177.23 2g35 s ILE 52 N -3.09 3.45 -0.16 2.81 1.01 -1.21 -4.13 121.20 119.89 2g35 s ILE 52 Ca 0.03 0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.96 2g35 s ILE 52 Cb 0.07 -3.42 -0.24 0.00 0.01 0.00 0.00 42.46 38.88 2g35 s ILE 52 CO 0.75 -0.14 0.53 0.50 0.00 0.00 0.00 174.94 176.57 2g35 h LYS 53 N 11.00 0.04 -3.71 2.79 3.64 0.33 -3.48 116.57 127.19 2g35 h LYS 53 Ca -0.39 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 58.75 2g35 h LYS 53 Cb 1.19 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 2g35 h LYS 53 CO 0.97 1.04 -0.03 -0.98 -2.27 0.00 0.00 179.45 178.17 2g35 s ARG 54 N -2.32 1.97 0.27 1.90 1.70 -1.23 -4.97 118.95 116.27 2g35 s ARG 54 Ca -0.23 -1.59 -0.20 0.00 -0.47 0.00 0.00 55.73 53.25 2g35 s ARG 54 Cb 0.02 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 2g35 s ARG 54 CO 0.67 -0.85 0.67 1.67 -1.08 0.00 0.00 175.30 176.38 2g35 s TRP 55 N -2.96 -0.10 -0.17 5.89 -2.14 -1.26 -0.49 118.94 117.70 2g35 s TRP 55 Ca 0.25 -0.33 -0.05 0.00 2.66 0.00 0.00 56.10 58.62 2g35 s TRP 55 Cb -0.02 0.61 0.08 0.00 -3.10 0.00 0.00 33.47 31.05 2g35 s TRP 55 CO 0.16 -1.18 0.32 0.00 -2.66 0.00 0.00 176.95 173.59 2g35 s ALA 56 N -3.93 -0.78 -0.23 2.67 0.00 -0.19 -4.96 121.76 114.34 2g35 s ALA 56 Ca 0.13 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 2g35 s ALA 56 Cb -0.05 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2g35 s ALA 56 CO 0.07 -0.82 0.19 0.00 0.00 0.00 0.00 175.76 175.20 2g35 s ALA 57 N 2.48 3.61 0.19 0.00 0.00 -1.26 -1.69 121.76 125.09 2g35 s ALA 57 Ca 0.03 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 51.27 2g35 s ALA 57 Cb -0.13 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2g35 s ALA 57 CO -0.11 -0.20 -0.23 -1.12 0.00 0.00 0.00 175.76 174.10 2g35 s SER 58 N 1.03 3.51 0.00 0.00 0.01 -0.23 -4.90 113.70 113.12 2g35 s SER 58 Ca 0.09 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2g35 s SER 58 Cb -0.14 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.80 2g35 s SER 58 CO 0.05 0.12 0.02 -0.81 0.41 0.00 0.00 173.24 173.03 2g35 n PRO 59 N 0.25 0.04 0.00 12.44 -0.04 -1.26 -2.70 135.00 143.73 2g35 n PRO 59 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2g35 n PRO 59 Cb 0.56 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.18 0.00 -4.07 0.54 2.85 -1.25 -4.85 118.16 111.55 2g35 n LYS 60 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2g35 n LYS 60 Cb 0.01 -0.35 -0.09 0.00 -0.65 0.00 0.00 35.03 33.94 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 -1.86 0.34 -0.01 -5.58 0.15 -1.10 0.53 113.70 106.17 2g35 s SER 61 Ca 0.00 -1.02 0.08 0.00 0.70 0.00 0.00 55.95 55.71 2g35 s SER 61 Cb 0.00 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 2g35 s SER 61 CO 0.00 -0.69 -0.25 0.12 1.20 0.00 0.00 173.24 173.62 2g35 s PHE 62 N -3.96 2.35 -0.01 3.44 5.36 -0.64 -1.07 117.98 123.44 2g35 s PHE 62 Ca 0.14 -0.42 0.05 0.00 -0.96 0.00 0.00 56.93 55.73 2g35 s PHE 62 Cb 0.07 -1.49 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 2g35 s PHE 62 CO -0.05 0.00 -0.15 0.99 -1.46 0.00 0.00 175.22 174.55 2g35 s THR 63 N -0.65 1.18 0.02 0.12 2.01 -0.68 -2.14 115.64 115.50 2g35 s THR 63 Ca 0.10 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2g35 s THR 63 Cb -0.10 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 2g35 s THR 63 CO -0.00 0.34 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.74 2g35 s LEU 64 N -0.33 2.19 -0.15 4.42 0.05 -0.48 -1.02 118.68 123.36 2g35 s LEU 64 Ca 0.05 -0.40 0.01 0.00 0.05 0.00 0.00 54.13 53.84 2g35 s LEU 64 Cb -0.06 -0.04 0.00 0.00 -2.05 0.00 0.00 46.19 44.04 2g35 s LEU 64 CO -0.00 -0.19 -0.17 -0.62 -0.55 0.00 0.00 176.35 174.81 2g35 s ASP 65 N -1.16 3.47 0.00 1.48 2.15 0.35 -1.91 116.67 121.06 2g35 s ASP 65 Ca -0.10 -0.52 0.27 0.00 0.43 0.00 0.00 52.55 52.64 2g35 s ASP 65 Cb -0.08 -1.52 0.93 0.00 -0.30 0.00 0.00 42.92 41.95 2g35 s ASP 65 CO -0.00 0.08 1.67 0.49 -0.17 0.00 0.00 175.17 177.24 2g35 n PHE 66 N 4.08 0.00 -0.35 -5.34 3.72 -1.26 0.26 117.46 118.57 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 0.52 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.21 1.68 3.48 1.37 0.00 -1.26 -4.63 105.19 107.06 2g35 n GLY 67 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2g35 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g35 n ASP 68 N 0.00 4.88 -0.36 1.61 8.00 -1.26 -4.78 116.55 124.64 2g35 n ASP 68 Ca 0.00 -2.92 0.27 0.00 0.71 0.00 0.00 54.79 52.85 2g35 n ASP 68 Cb 0.00 -1.72 0.55 0.00 -0.02 0.00 0.00 41.12 39.93 2g35 n ASP 68 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2g35 h TYR 69 N 7.36 0.64 0.83 1.24 3.20 -1.92 0.20 116.97 128.52 2g35 h TYR 69 Ca 0.45 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.30 2g35 h TYR 69 Cb 0.85 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2g35 h TYR 69 CO 1.40 -0.04 -0.48 -0.56 -1.64 0.00 0.00 178.16 176.84 2g35 h GLN 70 N 0.29 -1.17 -0.30 1.82 -0.00 -2.03 -2.63 115.11 111.09 2g35 h GLN 70 Ca 0.68 0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 59.37 2g35 h GLN 70 Cb 1.85 0.27 -0.02 0.00 -0.00 0.00 0.00 27.48 29.58 2g35 h GLN 70 CO -0.36 -0.78 0.02 0.22 -0.00 0.00 0.00 178.83 177.93 2g35 h ASP 71 N -1.22 0.42 -4.67 0.06 3.58 -1.47 -3.48 116.42 109.64 2g35 h ASP 71 Ca -0.11 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2g35 h ASP 71 Cb 0.96 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2g35 h ASP 71 CO 0.13 0.47 0.00 0.61 -2.88 0.00 0.00 179.24 177.58 2g35 n GLY 72 N -0.99 -3.02 3.79 -0.78 0.00 0.52 -4.98 105.19 99.73 2g35 n GLY 72 Ca 0.01 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.64 2.21 -0.23 1.61 2.02 -1.26 -4.72 117.35 116.35 2g35 s TYR 73 Ca 0.00 0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 57.42 2g35 s TYR 73 Cb 0.00 -3.50 0.07 0.00 -0.40 0.00 0.00 41.96 38.13 2g35 s TYR 73 CO 0.00 -2.52 0.03 -0.47 -1.57 0.00 0.00 175.55 171.01 2g35 s TYR 74 N -3.35 1.50 0.04 2.71 5.04 -0.81 -5.01 117.35 117.46 2g35 s TYR 74 Ca 0.66 -1.26 0.05 0.00 -2.44 0.00 0.00 57.07 54.08 2g35 s TYR 74 Cb -0.13 -1.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.86 2g35 s TYR 74 CO 0.53 -0.71 -0.15 -1.54 -1.34 0.00 0.00 175.55 172.34 2g35 s SER 75 N 1.70 1.83 0.24 4.32 1.04 -1.26 -1.39 113.70 120.18 2g35 s SER 75 Ca 0.00 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 2g35 s SER 75 Cb -0.18 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 2g35 s SER 75 CO -0.11 0.07 0.34 0.68 0.98 0.00 0.00 173.24 175.20 2g35 s VAL 76 N -0.79 0.00 0.22 5.02 -7.23 -0.91 -4.85 120.40 111.85 2g35 s VAL 76 Ca 0.03 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 2g35 s VAL 76 Cb -0.08 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 2g35 s VAL 76 CO 0.01 0.00 1.00 -1.10 -0.31 0.00 0.00 175.10 174.70 2g35 s GLN 77 N -3.94 4.75 -0.23 4.82 -1.52 0.05 -1.62 119.66 121.97 2g35 s GLN 77 Ca 0.30 1.59 -0.04 0.00 -1.95 0.00 0.00 55.36 55.26 2g35 s GLN 77 Cb 0.02 -3.28 0.12 0.00 -0.22 0.00 0.00 33.01 29.66 2g35 s GLN 77 CO 0.12 0.33 0.37 0.95 -0.25 0.00 0.00 175.29 176.81 2g35 s THR 78 N -0.83 -0.59 0.40 -0.19 -4.23 0.19 -3.02 115.64 107.37 2g35 s THR 78 Ca 0.44 -0.01 0.39 0.00 -1.18 0.00 0.00 61.69 61.33 2g35 s THR 78 Cb -0.27 -0.76 0.42 0.00 1.34 0.00 0.00 72.50 73.23 2g35 s THR 78 CO 0.34 -0.08 2.19 0.74 -0.54 0.00 0.00 174.62 177.27 2g35 h THR 79 N 6.19 0.03 -0.47 3.99 2.02 -1.88 -2.56 112.91 120.23 2g35 h THR 79 Ca -0.18 -0.26 -0.35 0.00 0.77 0.00 0.00 66.41 66.40 2g35 h THR 79 Cb 1.14 1.24 -0.34 0.00 -1.74 0.00 0.00 68.15 68.46 2g35 h THR 79 CO 0.24 0.01 -0.85 -0.62 0.37 0.00 0.00 175.52 174.67 2g35 n GLU 80 N -3.12 2.50 0.13 6.66 1.02 -1.26 -4.79 120.64 121.78 2g35 n GLU 80 Ca -0.01 -3.67 0.05 0.00 -0.02 0.00 0.00 57.16 53.50 2g35 n GLU 80 Cb 0.18 -1.81 0.24 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.66 -0.50 0.10 0.62 0.00 -0.97 -1.00 105.19 102.78 2g35 n GLY 81 Ca 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.12 -0.55 1.61 4.81 -1.87 -2.64 114.58 115.81 2g35 h GLU 82 Ca 0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2g35 h GLU 82 Cb 0.65 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 2g35 h GLU 82 CO 0.00 0.08 0.15 1.96 -0.73 0.00 0.00 179.01 180.47 2g35 h GLN 83 N -1.01 0.30 -0.46 1.92 4.20 -1.47 1.23 115.11 119.82 2g35 h GLN 83 Ca -0.01 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.81 2g35 h GLN 83 Cb 0.26 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2g35 h GLN 83 CO 0.02 0.20 0.35 0.82 -0.67 0.00 0.00 178.83 179.54 2g35 h ILE 84 N 0.30 0.69 0.00 2.54 2.04 -1.52 1.51 117.51 123.08 2g35 h ILE 84 Ca 0.28 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.91 2g35 h ILE 84 Cb 0.37 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2g35 h ILE 84 CO -0.33 0.00 -1.21 0.00 0.00 0.00 0.00 178.15 176.62 2g35 h ALA 85 N 1.73 0.53 0.16 1.87 0.00 0.15 -1.68 119.26 122.03 2g35 h ALA 85 Ca 0.22 -1.05 -0.29 0.00 0.00 0.00 0.00 54.91 53.79 2g35 h ALA 85 Cb 0.91 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2g35 h ALA 85 CO -0.00 1.29 -1.29 0.37 0.00 0.00 0.00 179.25 179.61 2g35 h GLN 86 N 0.00 0.41 -0.31 0.00 4.15 0.51 0.35 115.11 120.22 2g35 h GLN 86 Ca -0.11 -0.66 -0.14 0.00 0.77 0.00 0.00 58.65 58.52 2g35 h GLN 86 Cb 1.80 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 29.73 2g35 h GLN 86 CO 0.10 1.30 -0.36 1.25 -1.93 0.00 0.00 178.83 179.19 2g35 h LEU 87 N 0.14 0.86 0.05 -2.39 5.85 0.18 0.71 115.31 120.71 2g35 h LEU 87 Ca -0.17 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 2g35 h LEU 87 Cb 1.99 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.78 2g35 h LEU 87 CO 0.23 1.17 -0.02 0.40 -0.34 0.00 0.00 178.44 179.88 2g35 h ILE 88 N 0.57 1.23 0.00 4.05 1.08 -1.32 -1.40 117.51 121.71 2g35 h ILE 88 Ca 0.04 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 2g35 h ILE 88 Cb 0.95 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2g35 h ILE 88 CO 0.09 0.24 0.00 0.00 -0.69 0.00 0.00 178.15 177.78 2g35 h ALA 89 N 0.43 1.00 0.00 1.87 0.00 -0.26 -0.94 119.26 121.36 2g35 h ALA 89 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2g35 h ALA 89 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2g35 h ALA 89 CO 0.01 0.00 -1.42 0.78 0.00 0.00 0.00 179.25 178.62 2g35 h GLY 90 N 0.26 0.00 1.74 0.00 0.00 -0.26 -3.32 103.07 101.49 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 -0.21 -0.97 0.00 0.00 0.00 176.54 175.36 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.10 -3.22 116.97 119.30 2g35 h TYR 91 Ca -0.19 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.41 2g35 h TYR 91 Cb 1.80 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.51 2g35 h TYR 91 CO 0.00 0.00 -0.95 0.82 -1.05 0.00 0.00 178.16 176.98 2g35 h ILE 92 N 0.00 1.24 0.00 -2.88 2.04 -1.57 -3.07 117.51 113.26 2g35 h ILE 92 Ca 0.00 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.03 2g35 h ILE 92 Cb 0.81 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2g35 h ILE 92 CO 0.00 0.71 -0.44 0.44 0.00 0.00 0.00 178.15 178.85 2g35 h ASP 93 N 0.00 0.00 0.84 1.72 5.19 -1.65 -3.08 116.42 119.43 2g35 h ASP 93 Ca -0.05 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.13 2g35 h ASP 93 Cb 1.66 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.13 2g35 h ASP 93 CO 0.10 0.01 -1.26 0.40 -3.12 0.00 0.00 179.24 175.37 2g35 h ILE 94 N 0.00 0.88 0.09 0.35 2.04 -1.59 -3.05 117.51 116.22 2g35 h ILE 94 Ca 0.00 -2.49 -0.29 0.00 1.00 0.00 0.00 64.86 63.08 2g35 h ILE 94 Cb 0.95 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 2g35 h ILE 94 CO 0.00 0.50 -1.46 0.16 0.00 0.00 0.00 178.15 177.35 2g35 h ILE 95 N 0.00 1.21 -0.03 -0.67 3.07 -1.62 -3.33 117.51 116.14 2g35 h ILE 95 Ca -0.14 -2.89 -0.20 0.00 1.55 0.00 0.00 64.86 63.18 2g35 h ILE 95 Cb 1.70 2.74 -0.00 0.00 -0.27 0.00 0.00 36.82 40.98 2g35 h ILE 95 CO 0.07 0.81 -0.84 -0.07 -1.05 0.00 0.00 178.15 177.07 2g35 h LEU 96 N 0.05 0.41 -1.70 0.16 3.38 -1.67 -3.14 115.31 112.81 2g35 h LEU 96 Ca -0.21 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2g35 h LEU 96 Cb 1.98 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2g35 h LEU 96 CO 0.15 1.08 -0.03 0.07 0.09 0.00 0.00 178.44 179.80 2g35 h LYS 97 N 0.20 0.15 -0.44 1.13 5.09 -1.65 -1.18 116.57 119.86 2g35 h LYS 97 Ca -0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 60.65 60.64 2g35 h LYS 97 Cb 1.45 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 33.73 2g35 h LYS 97 CO 0.14 0.20 0.13 0.87 -2.09 0.00 0.00 179.45 178.69 2g35 h LYS 98 N 0.15 0.65 -0.00 0.07 1.57 -1.66 -0.41 116.57 116.93 2g35 h LYS 98 Ca 0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2g35 h LYS 98 Cb 0.16 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2g35 h LYS 98 CO 0.01 0.58 -0.11 1.17 -0.57 0.00 0.00 179.45 180.52 2g35 n LYS 99 N -4.33 0.38 -0.49 3.15 4.81 -0.50 -5.16 118.16 116.02 2g35 n LYS 99 Ca 0.03 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2g35 n LYS 99 Cb 0.19 -1.50 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 1.17 1.17 0.00 0.00 177.40 179.74