#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hql n LEU 2 N 0.00 3.98 -2.98 3.17 7.94 -1.26 -4.92 117.00 122.93 2hql n LEU 2 Ca 0.00 0.98 0.03 0.00 -1.11 0.00 0.00 56.01 55.91 2hql n LEU 2 Cb 0.00 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.43 2hql n LEU 2 CO 0.00 0.14 0.45 0.21 -1.11 0.00 0.00 177.39 177.09 2hql s ASN 3 N 3.01 -0.50 0.01 1.96 3.84 -1.26 -5.13 114.94 116.87 2hql s ASN 3 Ca 0.84 -0.10 0.01 0.00 0.21 0.00 0.00 52.86 53.81 2hql s ASN 3 Cb -0.50 0.94 -0.01 0.00 -0.55 0.00 0.00 41.25 41.14 2hql s ASN 3 CO 0.39 -0.07 -0.02 -0.13 -2.79 0.00 0.00 177.10 174.47 2hql s ARG 4 N 2.41 0.20 -0.11 0.43 0.52 -1.26 -4.72 118.95 116.42 2hql s ARG 4 Ca 0.20 -0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 2hql s ARG 4 Cb 0.00 -0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.39 2hql s ARG 4 CO -0.18 0.03 -0.03 0.08 0.02 0.00 0.00 175.30 175.21 2hql s VAL 5 N -0.37 0.71 -0.30 3.52 1.01 -0.14 -4.96 120.40 119.87 2hql s VAL 5 Ca -0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2hql s VAL 5 Cb -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2hql s VAL 5 CO -0.00 0.24 0.09 -0.36 0.00 0.00 0.00 175.10 175.06 2hql s PHE 6 N 1.83 3.16 -0.02 5.22 0.08 -1.26 0.20 117.98 127.17 2hql s PHE 6 Ca 0.04 -0.97 -0.03 0.00 0.12 0.00 0.00 56.93 56.09 2hql s PHE 6 Cb -0.13 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2hql s PHE 6 CO -0.07 -0.58 0.07 -1.17 -0.10 0.00 0.00 175.22 173.37 2hql s LEU 7 N 1.50 1.75 -0.04 -0.37 2.96 -0.45 -5.01 118.68 119.03 2hql s LEU 7 Ca 0.03 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2hql s LEU 7 Cb -0.17 0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.80 2hql s LEU 7 CO 0.03 -0.07 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.25 2hql s GLU 8 N -0.16 0.75 0.15 1.98 2.12 -1.26 0.30 118.70 122.58 2hql s GLU 8 Ca -0.02 -0.11 -0.25 0.00 0.36 0.00 0.00 54.97 54.95 2hql s GLU 8 Cb -0.02 -0.76 0.06 0.00 0.26 0.00 0.00 34.13 33.68 2hql s GLU 8 CO 0.00 -0.05 0.84 0.20 -0.54 0.00 0.00 175.26 175.71 2hql s GLY 9 N 0.76 -0.30 -0.06 -1.50 0.00 0.31 -4.90 107.32 101.63 2hql s GLY 9 Ca -0.10 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 2hql s GLY 9 CO 0.00 0.07 1.03 1.85 0.00 0.00 0.00 173.10 176.04 2hql s GLU 10 N -3.46 4.46 0.01 2.90 2.12 -1.14 -1.22 118.70 122.38 2hql s GLU 10 Ca 0.09 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.56 2hql s GLU 10 Cb -0.02 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.78 2hql s GLU 10 CO -0.01 -0.24 1.79 0.42 -0.54 0.00 0.00 175.26 176.68 2hql s ILE 11 N 1.67 3.20 -0.14 -3.70 1.01 0.03 -2.27 121.20 121.01 2hql s ILE 11 Ca 0.51 0.36 -0.08 0.00 0.00 0.00 0.00 60.65 61.43 2hql s ILE 11 Cb -0.20 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2hql s ILE 11 CO 0.22 -0.02 -0.13 -0.33 0.00 0.00 0.00 174.94 174.68 2hql h GLU 12 N 9.69 0.00 -3.87 2.79 4.39 0.22 -3.48 114.58 124.32 2hql h GLU 12 Ca -0.44 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.13 2hql h GLU 12 Cb 1.21 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.76 2hql h GLU 12 CO 0.94 0.05 -0.19 -1.54 -1.16 0.00 0.00 179.01 177.11 2hql s SER 13 N -5.76 0.18 0.18 1.42 1.04 -1.13 -4.97 113.70 104.66 2hql s SER 13 Ca -0.13 -1.13 -0.15 0.00 0.48 0.00 0.00 55.95 55.02 2hql s SER 13 Cb 0.02 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2hql s SER 13 CO 0.21 -1.16 0.45 -0.94 0.98 0.00 0.00 173.24 172.78 2hql s SER 14 N -3.09 -0.18 0.00 7.02 1.04 -1.26 0.90 113.70 118.13 2hql s SER 14 Ca 0.26 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2hql s SER 14 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2hql s SER 14 CO 0.12 -0.99 0.00 0.00 0.98 0.00 0.00 173.24 173.35 2hql s TRP 16 N -2.00 3.48 0.69 0.00 0.52 -1.26 0.19 118.94 120.56 2hql s TRP 16 Ca 0.00 0.63 -0.12 0.00 0.02 0.00 0.00 56.10 56.64 2hql s TRP 16 Cb 0.00 -2.10 0.17 0.00 -1.15 0.00 0.00 33.47 30.39 2hql s TRP 16 CO 0.00 0.13 0.56 0.43 0.02 0.00 0.00 176.95 178.09 2hql n SER 17 N -1.11 -1.97 0.00 2.95 7.64 0.92 -4.82 113.62 117.23 2hql n SER 17 Ca -0.02 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2hql n SER 17 Cb 0.54 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2hql n SER 17 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2hql n VAL 18 N -3.95 0.00 0.76 0.44 0.31 -1.26 -1.72 118.33 112.91 2hql n VAL 18 Ca 0.08 0.86 0.00 0.00 -0.01 0.00 0.00 64.34 65.27 2hql n VAL 18 Cb 0.32 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 2hql n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hql n LYS 19 N -0.58 0.76 -1.53 5.55 5.02 -1.26 -4.66 118.16 121.45 2hql n LYS 19 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2hql n LYS 19 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 2hql n LYS 19 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2hql n LYS 20 N 0.16 -0.42 -1.14 1.97 4.81 -0.70 -4.93 118.16 117.92 2hql n LYS 20 Ca 0.00 0.53 -0.19 0.00 -0.87 0.00 0.00 58.31 57.78 2hql n LYS 20 Cb 0.20 -4.30 -0.13 0.00 0.02 0.00 0.00 35.03 30.82 2hql n LYS 20 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2hql n THR 21 N -3.29 3.35 0.00 3.15 -2.24 -1.26 -4.64 114.28 109.35 2hql n THR 21 Ca -0.06 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 2hql n THR 21 Cb 0.33 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 2hql n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hql n GLY 22 N 2.51 4.29 3.53 3.38 0.00 -1.26 -4.72 105.19 112.93 2hql n GLY 22 Ca 0.51 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2hql n GLY 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hql s PHE 23 N -1.22 3.16 -0.29 1.61 5.36 -0.01 -0.06 117.98 126.53 2hql s PHE 23 Ca 0.00 -0.14 -0.06 0.00 -0.96 0.00 0.00 56.93 55.76 2hql s PHE 23 Cb 0.00 -2.25 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 2hql s PHE 23 CO 0.00 -0.19 0.07 -0.51 -1.46 0.00 0.00 175.22 173.13 2hql s LEU 24 N 1.41 3.80 -0.17 6.12 1.02 0.13 -1.73 118.68 129.26 2hql s LEU 24 Ca 0.06 -0.74 -0.03 0.00 0.02 0.00 0.00 54.13 53.44 2hql s LEU 24 Cb -0.15 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 2hql s LEU 24 CO 0.05 -0.19 -0.05 -0.69 0.02 0.00 0.00 176.35 175.50 2hql s VAL 25 N 1.48 3.68 -0.25 -1.59 1.01 0.86 -1.31 120.40 124.29 2hql s VAL 25 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2hql s VAL 25 Cb -0.17 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2hql s VAL 25 CO 0.02 0.48 0.43 -0.89 0.00 0.00 0.00 175.10 175.13 2hql s THR 26 N 0.63 5.14 0.55 3.92 2.01 0.26 -1.04 115.64 127.12 2hql s THR 26 Ca -0.03 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.75 2hql s THR 26 Cb -0.15 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.67 2hql s THR 26 CO 0.02 0.15 0.56 -0.63 -0.69 0.00 0.00 174.62 174.04 2hql s ILE 27 N 1.98 1.87 -0.20 1.82 -1.09 0.23 0.21 121.20 126.02 2hql s ILE 27 Ca 0.18 -1.29 -0.27 0.00 -2.23 0.00 0.00 60.65 57.04 2hql s ILE 27 Cb -0.15 -2.16 0.09 0.00 -1.58 0.00 0.00 42.46 38.66 2hql s ILE 27 CO 0.09 0.00 0.82 -1.59 -1.23 0.00 0.00 174.94 173.03 2hql s LYS 28 N -4.44 0.79 -0.13 2.79 -2.85 -0.96 -1.72 119.74 113.21 2hql s LYS 28 Ca 0.46 0.59 0.02 0.00 -1.00 0.00 0.00 55.97 56.03 2hql s LYS 28 Cb -0.04 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2hql s LYS 28 CO 0.29 -0.16 -0.17 -0.65 0.10 0.00 0.00 175.35 174.75 2hql s GLN 29 N -0.28 2.49 -0.30 1.78 -0.21 0.65 -2.87 119.66 120.91 2hql s GLN 29 Ca -0.02 -0.65 -0.12 0.00 0.02 0.00 0.00 55.36 54.59 2hql s GLN 29 Cb -0.03 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 2hql s GLN 29 CO 0.02 -0.10 0.21 -1.64 -2.12 0.00 0.00 175.29 171.65 2hql s MET 30 N 1.09 3.76 -0.16 2.91 -1.94 -1.26 -0.76 119.30 122.94 2hql s MET 30 Ca -0.03 -0.46 -0.13 0.00 -1.71 0.00 0.00 55.69 53.37 2hql s MET 30 Cb -0.14 -3.72 0.05 0.00 2.01 0.00 0.00 34.83 33.03 2hql s MET 30 CO -0.05 -0.29 0.42 0.50 -0.01 0.00 0.00 175.02 175.59 2hql s ARG 31 N 1.74 0.46 -0.48 2.03 3.52 -1.26 -5.06 118.95 119.90 2hql s ARG 31 Ca 0.07 0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 56.11 2hql s ARG 31 Cb -0.17 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.40 2hql s ARG 31 CO 0.11 -0.09 0.75 -0.59 -0.81 0.00 0.00 175.30 174.67 2hql s PHE 32 N 0.65 2.98 -1.08 5.12 -0.71 -1.26 -4.10 117.98 119.58 2hql s PHE 32 Ca -0.03 -0.07 -0.14 0.00 -1.04 0.00 0.00 56.93 55.65 2hql s PHE 32 Cb -0.05 -3.65 0.19 0.00 -1.21 0.00 0.00 43.02 38.30 2hql s PHE 32 CO -0.04 -1.05 1.22 -0.06 -1.34 0.00 0.00 175.22 173.94 2hql s PHE 33 N 3.19 3.63 0.00 3.49 0.08 -1.04 -4.69 117.98 122.64 2hql s PHE 33 Ca 0.25 -2.09 0.00 0.00 0.12 0.00 0.00 56.93 55.22 2hql s PHE 33 Cb -0.14 -4.14 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 2hql s PHE 33 CO 0.19 -1.27 0.00 0.41 -0.10 0.00 0.00 175.22 174.45 2hql n GLY 34 N 4.07 1.02 0.00 4.36 0.00 -1.26 -3.84 105.19 109.54 2hql n GLY 34 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2hql n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hql n GLU 35 N 0.00 0.95 -0.64 1.61 1.02 -1.26 -5.03 120.64 117.28 2hql n GLU 35 Ca 0.00 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2hql n GLU 35 Cb 0.00 -1.00 0.19 0.00 -0.02 0.00 0.00 31.44 30.60 2hql n GLU 35 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hql n ARG 36 N -1.62 -1.28 -0.39 3.49 1.74 -1.25 -4.97 116.66 112.39 2hql n ARG 36 Ca -0.00 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 2hql n ARG 36 Cb 0.12 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2hql n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2hql n LEU 37 N -3.24 0.00 -4.66 0.55 4.77 -1.26 -2.50 117.00 110.66 2hql n LEU 37 Ca 0.06 -0.78 -0.46 0.00 -0.03 0.00 0.00 56.01 54.79 2hql n LEU 37 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2hql n LEU 37 CO 0.52 0.22 1.15 0.33 -1.33 0.00 0.00 177.39 178.28 2hql n PHE 38 N 0.00 2.21 -2.97 -1.77 7.35 -1.26 -4.45 117.46 116.57 2hql n PHE 38 Ca 0.00 0.32 -0.20 0.00 -0.76 0.00 0.00 57.45 56.81 2hql n PHE 38 Cb 0.65 -2.52 0.02 0.00 0.35 0.00 0.00 39.48 37.98 2hql n PHE 38 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2hql s THR 39 N 0.73 3.25 0.02 -2.13 -1.32 -1.26 -4.30 115.64 110.62 2hql s THR 39 Ca 0.77 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 60.51 2hql s THR 39 Cb -0.69 -3.15 -0.03 0.00 -1.51 0.00 0.00 72.50 67.12 2hql s THR 39 CO 0.40 -0.08 -0.19 -1.81 -2.21 0.00 0.00 174.62 170.73 2hql s ASP 40 N -4.32 3.71 -0.14 8.08 1.01 0.06 -4.94 116.67 120.13 2hql s ASP 40 Ca 0.53 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.41 2hql s ASP 40 Cb -0.10 -0.60 0.00 0.00 1.01 0.00 0.00 42.92 43.23 2hql s ASP 40 CO 0.35 0.28 -0.19 -0.31 0.21 0.00 0.00 175.17 175.51 2hql s TYR 41 N -0.84 2.71 -0.00 4.23 2.02 -1.26 -0.25 117.35 123.95 2hql s TYR 41 Ca 0.13 -1.15 0.06 0.00 -0.37 0.00 0.00 57.07 55.75 2hql s TYR 41 Cb -0.10 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 2hql s TYR 41 CO 0.03 -0.51 -0.20 0.71 -1.57 0.00 0.00 175.55 174.02 2hql s TYR 42 N 0.73 1.76 -0.28 2.71 2.02 -0.70 -4.97 117.35 118.61 2hql s TYR 42 Ca -0.08 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2hql s TYR 42 Cb -0.16 -1.11 0.03 0.00 -0.40 0.00 0.00 41.96 40.32 2hql s TYR 42 CO 0.01 -0.00 0.01 0.08 -1.57 0.00 0.00 175.55 174.07 2hql s VAL 43 N -0.54 3.33 0.08 0.71 1.01 -1.26 0.74 120.40 124.47 2hql s VAL 43 Ca 0.07 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.12 2hql s VAL 43 Cb -0.08 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2hql s VAL 43 CO -0.00 0.08 0.00 0.27 0.00 0.00 0.00 175.10 175.45 2hql s ILE 44 N 1.38 4.04 0.16 2.22 -4.36 -0.21 -2.45 121.20 121.98 2hql s ILE 44 Ca -0.00 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.34 2hql s ILE 44 Cb -0.18 -2.91 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 2hql s ILE 44 CO -0.01 0.14 0.30 -0.72 0.24 0.00 0.00 174.94 174.89 2hql s TYR 45 N -1.29 0.31 0.02 1.37 1.13 -0.77 -0.09 117.35 118.02 2hql s TYR 45 Ca 0.25 -0.68 -0.12 0.00 -1.41 0.00 0.00 57.07 55.12 2hql s TYR 45 Cb -0.12 -0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 2hql s TYR 45 CO 0.18 -0.72 0.26 0.00 -2.51 0.00 0.00 175.55 172.75 2hql s ALA 46 N -3.94 -0.59 0.20 9.51 0.00 -0.71 -1.12 121.76 125.10 2hql s ALA 46 Ca 0.15 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.21 2hql s ALA 46 Cb 0.03 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2hql s ALA 46 CO -0.02 -0.32 -0.05 -0.80 0.00 0.00 0.00 175.76 174.58 2hql s ASN 47 N -1.73 4.48 1.77 0.00 0.01 -1.26 -0.83 114.94 117.37 2hql s ASN 47 Ca -0.09 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 2hql s ASN 47 Cb -0.03 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.78 2hql s ASN 47 CO -0.00 0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 2hql n GLY 48 N -0.20 3.64 0.22 0.66 0.00 -1.26 -2.90 105.19 105.34 2hql n GLY 48 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 2hql n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2hql h GLN 49 N 0.00 0.47 -0.01 1.61 4.20 -2.02 -2.57 115.11 116.79 2hql h GLN 49 Ca 0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2hql h GLN 49 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2hql h GLN 49 CO 0.00 0.31 -0.28 1.25 -0.67 0.00 0.00 178.83 179.45 2hql h LEU 50 N 0.49 0.01 -1.04 1.46 5.85 -1.90 -2.82 115.31 117.35 2hql h LEU 50 Ca 0.25 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 2hql h LEU 50 Cb 0.20 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2hql h LEU 50 CO -0.20 0.29 0.14 0.00 -0.34 0.00 0.00 178.44 178.33 2hql h ALA 51 N 1.71 1.22 -0.25 1.25 0.00 -1.46 -1.72 119.26 120.01 2hql h ALA 51 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2hql h ALA 51 Cb 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2hql h ALA 51 CO 0.04 0.54 -0.39 1.88 0.00 0.00 0.00 179.25 181.32 2hql h TYR 52 N 0.80 0.70 -0.23 0.00 0.05 -1.52 -2.45 116.97 114.32 2hql h TYR 52 Ca 0.18 -0.20 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 2hql h TYR 52 Cb 0.28 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2hql h TYR 52 CO 0.02 0.89 -0.43 0.93 -1.05 0.00 0.00 178.16 178.51 2hql h GLU 53 N 0.49 0.56 -0.24 4.88 5.08 -1.41 -3.04 114.58 120.90 2hql h GLU 53 Ca 0.04 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2hql h GLU 53 Cb 0.89 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2hql h GLU 53 CO 0.08 0.89 0.08 1.25 -1.00 0.00 0.00 179.01 180.31 2hql h LEU 54 N 0.46 0.34 -0.98 1.33 5.85 -1.19 -2.69 115.31 118.42 2hql h LEU 54 Ca 0.03 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.72 2hql h LEU 54 Cb 0.94 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.79 2hql h LEU 54 CO 0.08 0.43 0.59 -0.08 -0.34 0.00 0.00 178.44 179.13 2hql h GLU 55 N 0.22 0.82 -0.08 1.25 4.81 -1.38 -1.03 114.58 119.20 2hql h GLU 55 Ca 0.08 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 2hql h GLU 55 Cb 0.21 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2hql h GLU 55 CO -0.00 0.55 -0.76 0.87 -0.73 0.00 0.00 179.01 178.93 2hql h LYS 56 N 0.85 0.47 -0.62 1.92 1.57 -1.42 -2.14 116.57 117.20 2hql h LYS 56 Ca 0.52 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2hql h LYS 56 Cb 0.67 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2hql h LYS 56 CO -0.32 1.03 0.20 1.25 -0.57 0.00 0.00 179.45 181.04 2hql h HIS 57 N 0.32 0.95 0.00 -1.35 2.76 -1.09 -1.03 115.15 115.71 2hql h HIS 57 Ca -0.04 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2hql h HIS 57 Cb 1.35 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 30.02 2hql h HIS 57 CO 0.05 0.76 -0.01 1.15 -1.30 0.00 0.00 177.93 178.58 2hql h THR 58 N 0.91 1.00 -0.54 6.26 2.02 -0.83 0.21 112.91 121.93 2hql h THR 58 Ca 0.21 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2hql h THR 58 Cb 0.24 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2hql h THR 58 CO -0.01 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.18 2hql n LYS 59 N -4.52 2.60 0.00 6.66 5.02 -0.49 -4.56 118.16 122.87 2hql n LYS 59 Ca -0.03 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 2hql n LYS 59 Cb 0.10 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2hql n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hql n LYS 60 N 1.46 0.00 -4.34 1.97 5.02 -0.59 -5.06 118.16 116.63 2hql n LYS 60 Ca 0.21 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 2hql n LYS 60 Cb 0.59 -0.84 -0.11 0.00 -0.02 0.00 0.00 35.03 34.65 2hql n LYS 60 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2hql s TYR 61 N -1.93 2.50 -0.23 2.13 2.02 0.64 -5.03 117.35 117.44 2hql s TYR 61 Ca 0.00 -0.28 0.20 0.00 -0.37 0.00 0.00 57.07 56.62 2hql s TYR 61 Cb 0.00 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2hql s TYR 61 CO 0.00 0.47 1.11 0.87 -1.57 0.00 0.00 175.55 176.43 2hql h LYS 62 N 3.23 0.00 -5.45 -0.62 1.57 -1.91 -3.42 116.57 109.97 2hql h LYS 62 Ca -0.47 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.87 2hql h LYS 62 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 2hql h LYS 62 CO 0.50 0.13 -0.71 0.95 -0.57 0.00 0.00 179.45 179.74 2hql s THR 63 N -3.18 1.59 -0.06 -0.16 -4.23 -1.26 -0.79 115.64 107.55 2hql s THR 63 Ca 0.00 -2.16 -0.11 0.00 -1.18 0.00 0.00 61.69 58.24 2hql s THR 63 Cb 0.08 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.82 2hql s THR 63 CO 0.77 -0.53 0.26 -0.51 -0.54 0.00 0.00 174.62 174.07 2hql s ILE 64 N -3.06 0.03 -0.05 2.99 2.07 -0.36 -4.88 121.20 117.94 2hql s ILE 64 Ca 0.24 -0.26 0.06 0.00 -1.41 0.00 0.00 60.65 59.28 2hql s ILE 64 Cb 0.01 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 2hql s ILE 64 CO 0.07 -0.14 -0.24 -0.55 -1.91 0.00 0.00 174.94 172.17 2hql s SER 65 N -0.55 2.93 0.30 4.50 0.15 -1.26 -0.53 113.70 119.25 2hql s SER 65 Ca -0.06 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.14 2hql s SER 65 Cb -0.04 -0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 63.45 2hql s SER 65 CO 0.02 0.23 0.22 0.27 1.20 0.00 0.00 173.24 175.18 2hql s ILE 66 N -0.15 0.09 -0.02 6.45 -5.25 0.15 -1.92 121.20 120.55 2hql s ILE 66 Ca -0.03 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 57.63 2hql s ILE 66 Cb -0.13 -2.49 0.03 0.00 2.95 0.00 0.00 42.46 42.82 2hql s ILE 66 CO 0.03 0.00 0.03 -0.70 -1.79 0.00 0.00 174.94 172.51 2hql s GLU 67 N -3.68 -0.02 0.00 0.37 2.12 -0.80 -1.34 118.70 115.35 2hql s GLU 67 Ca 0.38 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.92 2hql s GLU 67 Cb 0.04 -0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.13 2hql s GLU 67 CO 0.22 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2hql n GLY 68 N 4.33 3.42 3.22 -1.50 0.00 0.13 -0.53 105.19 114.26 2hql n GLY 68 Ca -0.25 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 2hql n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hql s ILE 69 N -2.57 1.61 0.03 -0.61 1.01 -0.53 -0.97 121.20 119.18 2hql s ILE 69 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 2hql s ILE 69 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2hql s ILE 69 CO 0.00 0.40 1.04 -0.76 0.00 0.00 0.00 174.94 175.62 2hql s LEU 70 N -0.62 4.38 0.10 2.97 1.43 -1.26 -0.21 118.68 125.47 2hql s LEU 70 Ca 0.08 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 2hql s LEU 70 Cb -0.08 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2hql s LEU 70 CO -0.00 -0.30 -0.07 -0.13 0.23 0.00 0.00 176.35 176.07 2hql s ARG 71 N 0.93 0.86 0.07 1.70 1.81 0.82 -4.92 118.95 120.21 2hql s ARG 71 Ca 0.53 -1.32 0.01 0.00 -1.72 0.00 0.00 55.73 53.24 2hql s ARG 71 Cb -0.24 -0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 33.93 2hql s ARG 71 CO 0.29 0.01 -0.06 0.95 -0.68 0.00 0.00 175.30 175.81 2hql s THR 72 N -3.39 0.48 0.00 0.02 -4.23 -1.26 -0.79 115.64 106.48 2hql s THR 72 Ca 0.11 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2hql s THR 72 Cb 0.04 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.61 2hql s THR 72 CO -0.03 -0.76 0.00 0.00 -0.54 0.00 0.00 174.62 173.29 2hql n TYR 73 N 0.49 0.00 -1.01 3.99 4.11 -1.26 -5.00 117.16 118.47 2hql n TYR 73 Ca -0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.78 2hql n TYR 73 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.91 2hql n TYR 73 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2hql n LYS 82 N -0.14 -1.40 -5.06 -3.48 5.02 -1.26 -5.14 118.16 106.71 2hql n LYS 82 Ca 0.00 1.12 -0.32 0.00 -2.02 0.00 0.00 58.31 57.09 2hql n LYS 82 Cb 0.00 -1.82 -0.15 0.00 -0.02 0.00 0.00 35.03 33.04 2hql n LYS 82 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hql s THR 83 N -4.68 2.59 0.28 -0.18 2.01 -1.26 -4.99 115.64 109.41 2hql s THR 83 Ca 0.00 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2hql s THR 83 Cb 0.00 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2hql s THR 83 CO 0.00 0.57 0.20 0.42 -0.69 0.00 0.00 174.62 175.12 2hql s THR 84 N -0.36 0.06 -0.21 -0.82 -4.23 0.03 -4.80 115.64 105.31 2hql s THR 84 Ca 0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 2hql s THR 84 Cb -0.12 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.26 2hql s THR 84 CO 0.02 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.33 2hql s ILE 85 N -3.74 1.98 -0.51 2.99 1.01 -1.03 -0.13 121.20 121.77 2hql s ILE 85 Ca 0.39 -1.18 -0.27 0.00 0.00 0.00 0.00 60.65 59.59 2hql s ILE 85 Cb 0.05 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.59 2hql s ILE 85 CO 0.20 0.25 1.08 -0.70 0.00 0.00 0.00 174.94 175.77 2hql s GLU 86 N 1.26 3.56 0.61 2.79 2.12 0.70 -1.85 118.70 127.89 2hql s GLU 86 Ca -0.01 0.26 -0.19 0.00 0.36 0.00 0.00 54.97 55.39 2hql s GLU 86 Cb -0.16 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.23 2hql s GLU 86 CO -0.09 -1.45 1.14 -0.89 -0.54 0.00 0.00 175.26 173.44 2hql n ILE 87 N 6.61 4.16 0.00 -3.70 -0.00 -0.28 -1.45 119.36 124.70 2hql n ILE 87 Ca 0.08 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 2hql n ILE 87 Cb 0.49 -1.35 0.00 0.00 -0.00 0.00 0.00 39.64 38.78 2hql n ILE 87 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 2hql n VAL 88 N -1.67 0.00 -3.91 1.39 0.31 0.31 -4.85 118.33 109.92 2hql n VAL 88 Ca 0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.36 2hql n VAL 88 Cb 0.47 -0.54 -0.12 0.00 -0.91 0.00 0.00 33.84 32.74 2hql n VAL 88 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2hql s LYS 89 N -1.89 0.21 -0.29 5.55 2.20 -0.80 -5.02 119.74 119.70 2hql s LYS 89 Ca 0.00 -0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 55.29 2hql s LYS 89 Cb 0.00 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.42 2hql s LYS 89 CO 0.00 -0.04 0.04 0.42 -0.36 0.00 0.00 175.35 175.41 2hql s ILE 90 N -0.76 3.61 0.31 5.43 1.01 -1.26 -1.91 121.20 127.63 2hql s ILE 90 Ca -0.08 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 2hql s ILE 90 Cb -0.05 -2.88 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 2hql s ILE 90 CO -0.00 0.08 1.07 -0.36 0.00 0.00 0.00 174.94 175.73 2hql s PHE 91 N 1.43 3.52 0.13 3.97 0.08 -0.81 -4.97 117.98 121.33 2hql s PHE 91 Ca 0.01 1.70 -0.32 0.00 0.12 0.00 0.00 56.93 58.44 2hql s PHE 91 Cb -0.17 -3.22 -0.12 0.00 -0.57 0.00 0.00 43.02 38.94 2hql s PHE 91 CO 0.00 -0.50 1.76 -1.71 -0.10 0.00 0.00 175.22 174.67 2hql n ASN 92 N 0.84 3.74 0.00 1.36 5.15 -1.26 -4.62 115.26 120.47 2hql n ASN 92 Ca 0.01 1.02 0.04 0.00 -0.60 0.00 0.00 54.58 55.06 2hql n ASN 92 Cb 0.46 -1.50 0.27 0.00 -0.53 0.00 0.00 39.78 38.48 2hql n ASN 92 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2hql n PRO 93 N 4.86 0.36 -0.00 1.20 -0.04 -1.26 -2.20 135.00 137.92 2hql n PRO 93 Ca 0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.68 2hql n PRO 93 Cb 0.34 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 2hql n PRO 93 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2hql n LYS 94 N -0.89 2.20 -3.53 0.54 5.02 -1.26 -4.98 118.16 115.26 2hql n LYS 94 Ca 0.07 -0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 2hql n LYS 94 Cb 0.03 -1.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 2hql n LYS 94 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2hql s ASN 95 N -2.34 6.62 0.76 4.39 0.01 -0.93 -5.08 114.94 118.35 2hql s ASN 95 Ca -0.00 0.73 -0.11 0.00 -0.71 0.00 0.00 52.86 52.77 2hql s ASN 95 Cb 0.05 -2.21 0.05 0.00 0.41 0.00 0.00 41.25 39.56 2hql s ASN 95 CO 0.31 0.22 1.13 -0.70 -1.51 0.00 0.00 177.10 176.55 2hql s GLU 96 N -0.33 2.30 0.01 -0.60 2.12 -1.26 -4.77 118.70 116.18 2hql s GLU 96 Ca 0.21 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.74 2hql s GLU 96 Cb -0.15 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 2hql s GLU 96 CO 0.09 -1.35 -0.08 0.42 -0.54 0.00 0.00 175.26 173.80 2hql s ILE 97 N -3.45 0.60 -0.45 -3.70 1.01 -1.26 -5.07 121.20 108.88 2hql s ILE 97 Ca 0.60 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.76 2hql s ILE 97 Cb -0.11 -0.55 0.19 0.00 0.01 0.00 0.00 42.46 42.00 2hql s ILE 97 CO 0.49 0.02 0.52 0.52 0.00 0.00 0.00 174.94 176.49 2hql n VAL 98 N 2.48 -0.70 -2.33 2.92 0.31 -1.26 -5.13 118.33 114.62 2hql n VAL 98 Ca -0.16 -2.51 -0.41 0.00 -0.01 0.00 0.00 64.34 61.25 2hql n VAL 98 Cb 0.57 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.88 2hql n VAL 98 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2hql s ILE 99 N 0.30 3.57 0.30 2.52 -4.36 -1.26 -5.03 121.20 117.24 2hql s ILE 99 Ca 0.32 1.24 0.03 0.00 -0.26 0.00 0.00 60.65 61.98 2hql s ILE 99 Cb 0.04 -3.79 -0.02 0.00 1.25 0.00 0.00 42.46 39.94 2hql s ILE 99 CO -0.14 0.16 0.29 -0.62 0.24 0.00 0.00 174.94 174.87 2hql s ASP 100 N 0.50 1.13 0.09 4.36 -1.08 -1.26 -5.19 116.67 115.23 2hql s ASP 100 Ca 0.56 -1.59 0.01 0.00 -0.52 0.00 0.00 52.55 51.01 2hql s ASP 100 Cb -0.33 0.54 -0.00 0.00 -1.46 0.00 0.00 42.92 41.67 2hql s ASP 100 CO 0.34 -1.07 0.10 0.00 0.52 0.00 0.00 175.17 175.07 2hql n TYR 101 N -0.53 -0.43 -3.65 -5.34 4.11 -1.26 -5.16 117.16 104.91 2hql n TYR 101 Ca 0.05 -0.72 -0.03 0.00 -0.00 0.00 0.00 57.90 57.19 2hql n TYR 101 Cb 0.63 0.11 -0.05 0.00 -0.00 0.00 0.00 39.34 40.03 2hql n TYR 101 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2hql s LYS 102 N -2.31 0.60 0.57 -3.48 2.20 -1.26 -5.04 119.74 111.02 2hql s LYS 102 Ca 0.10 1.36 0.37 0.00 -0.36 0.00 0.00 55.97 57.44 2hql s LYS 102 Cb 0.00 0.61 1.88 0.00 -1.51 0.00 0.00 37.83 38.81 2hql s LYS 102 CO 0.07 -0.19 2.13 0.93 -0.36 0.00 0.00 175.35 177.94 2hql h GLU 103 N 7.69 0.00 0.00 4.03 5.08 -2.10 -3.58 114.58 125.70 2hql h GLU 103 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2hql h GLU 103 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2hql h GLU 103 CO 0.12 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.24