#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hql s LEU 2 N 0.00 4.35 -0.30 3.17 2.96 -1.26 -4.98 118.68 122.62 2hql s LEU 2 Ca 0.00 1.91 -0.06 0.00 -0.22 0.00 0.00 54.13 55.77 2hql s LEU 2 Cb 0.00 -3.57 0.19 0.00 0.50 0.00 0.00 46.19 43.31 2hql s LEU 2 CO 0.00 -0.47 0.89 0.21 -1.32 0.00 0.00 176.35 175.66 2hql s ASN 3 N 1.16 -0.83 -0.06 3.68 3.84 -1.26 -5.10 114.94 116.37 2hql s ASN 3 Ca 0.57 0.16 -0.03 0.00 0.21 0.00 0.00 52.86 53.77 2hql s ASN 3 Cb -0.27 1.55 0.03 0.00 -0.55 0.00 0.00 41.25 42.02 2hql s ASN 3 CO 0.27 -0.15 0.13 -0.13 -2.79 0.00 0.00 177.10 174.43 2hql s ARG 4 N 2.91 0.09 -0.02 0.43 1.81 -1.26 -4.67 118.95 118.24 2hql s ARG 4 Ca 0.19 0.31 0.04 0.00 -1.72 0.00 0.00 55.73 54.54 2hql s ARG 4 Cb -0.06 -0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.30 2hql s ARG 4 CO -0.22 -0.13 -0.13 0.08 -0.68 0.00 0.00 175.30 174.21 2hql s VAL 5 N 0.93 1.06 -0.23 3.52 1.01 0.50 -4.94 120.40 122.25 2hql s VAL 5 Ca -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2hql s VAL 5 Cb -0.09 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.44 2hql s VAL 5 CO -0.04 0.31 -0.06 -0.36 0.00 0.00 0.00 175.10 174.94 2hql s PHE 6 N -0.17 2.44 0.01 5.22 0.08 -1.26 -1.92 117.98 122.38 2hql s PHE 6 Ca 0.02 -1.76 0.03 0.00 0.12 0.00 0.00 56.93 55.34 2hql s PHE 6 Cb -0.07 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2hql s PHE 6 CO 0.00 -0.77 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.07 2hql s LEU 7 N 1.38 2.07 -0.02 -0.37 2.96 -1.17 -5.03 118.68 118.49 2hql s LEU 7 Ca -0.05 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2hql s LEU 7 Cb -0.19 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.03 2hql s LEU 7 CO -0.06 0.07 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.31 2hql s GLU 8 N -0.53 0.51 0.37 1.98 -6.30 -1.26 -0.79 118.70 112.67 2hql s GLU 8 Ca 0.02 -0.07 -0.15 0.00 -2.50 0.00 0.00 54.97 52.27 2hql s GLU 8 Cb -0.05 -0.56 0.05 0.00 0.00 0.00 0.00 34.13 33.56 2hql s GLU 8 CO 0.00 -0.03 0.75 0.20 0.02 0.00 0.00 175.26 176.20 2hql s GLY 9 N 0.58 0.42 -0.08 -1.50 0.00 -0.62 -4.86 107.32 101.26 2hql s GLY 9 Ca -0.07 -0.77 -0.15 0.00 0.00 0.00 0.00 44.72 43.73 2hql s GLY 9 CO -0.01 -0.35 0.39 1.85 0.00 0.00 0.00 173.10 174.98 2hql s GLU 10 N -2.58 4.10 -0.12 2.90 2.12 -0.18 -1.73 118.70 123.20 2hql s GLU 10 Ca 0.16 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.52 2hql s GLU 10 Cb -0.05 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2hql s GLU 10 CO 0.12 0.43 1.35 0.42 -0.54 0.00 0.00 175.26 177.04 2hql s ILE 11 N -0.22 4.09 -0.22 -3.70 1.01 -0.40 0.78 121.20 122.55 2hql s ILE 11 Ca 0.22 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2hql s ILE 11 Cb -0.15 -3.86 -0.20 0.00 0.01 0.00 0.00 42.46 38.26 2hql s ILE 11 CO 0.10 -0.10 -0.04 -0.62 0.00 0.00 0.00 174.94 174.28 2hql n GLU 12 N 6.48 0.68 -3.76 2.79 -0.58 -0.12 -4.93 120.64 121.21 2hql n GLU 12 Ca 0.14 0.18 -0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2hql n GLU 12 Cb 0.44 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 2hql n GLU 12 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2hql s SER 13 N -6.63 -0.06 -0.21 1.62 1.04 -1.18 -5.03 113.70 103.24 2hql s SER 13 Ca -0.30 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 55.54 2hql s SER 13 Cb 0.08 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.64 2hql s SER 13 CO 0.66 -0.55 1.11 -0.94 0.98 0.00 0.00 173.24 174.50 2hql s SER 14 N -3.19 -0.29 0.34 7.02 1.04 -1.26 -0.95 113.70 116.41 2hql s SER 14 Ca 0.18 0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.84 2hql s SER 14 Cb 0.01 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2hql s SER 14 CO -0.00 -0.23 0.68 0.00 0.98 0.00 0.00 173.24 174.67 2hql s TRP 16 N -3.02 3.13 0.52 0.00 0.52 -1.26 -0.65 118.94 118.17 2hql s TRP 16 Ca 0.18 0.02 -0.09 0.00 0.02 0.00 0.00 56.10 56.23 2hql s TRP 16 Cb -0.04 -2.25 0.13 0.00 -1.15 0.00 0.00 33.47 30.15 2hql s TRP 16 CO 0.12 -0.30 0.46 0.43 0.02 0.00 0.00 176.95 177.68 2hql n SER 17 N -1.95 -1.51 0.16 2.95 7.64 0.89 -4.85 113.62 116.96 2hql n SER 17 Ca 0.02 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.02 2hql n SER 17 Cb 0.58 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 2hql n SER 17 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2hql h VAL 18 N -2.04 0.41 0.00 0.44 2.07 -1.99 -2.70 116.25 112.44 2hql h VAL 18 Ca -0.17 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2hql h VAL 18 Cb 0.53 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2hql h VAL 18 CO 0.11 0.09 0.00 0.29 0.02 0.00 0.00 177.57 178.09 2hql n LYS 19 N -5.10 0.41 -2.47 1.57 5.02 -1.26 -4.78 118.16 111.54 2hql n LYS 19 Ca -0.08 0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 2hql n LYS 19 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.14 -2.09 -0.05 1.97 4.81 -1.02 -4.87 118.16 115.77 2hql n LYS 20 Ca 0.11 0.87 -0.15 0.00 -0.87 0.00 0.00 58.31 58.26 2hql n LYS 20 Cb 0.10 -5.40 -0.07 0.00 0.02 0.00 0.00 35.03 29.68 2hql n LYS 20 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2hql h THR 21 N -0.27 1.33 -3.53 3.15 2.02 -1.86 -3.45 112.91 110.30 2hql h THR 21 Ca -0.44 -1.72 -0.29 0.00 0.77 0.00 0.00 66.41 64.73 2hql h THR 21 Cb 1.32 1.94 -0.15 0.00 -1.74 0.00 0.00 68.15 69.52 2hql h THR 21 CO 0.51 0.53 -0.71 -0.83 0.37 0.00 0.00 175.52 175.39 2hql s GLY 22 N -3.86 0.97 -0.29 2.16 0.00 -1.26 -4.01 107.32 101.02 2hql s GLY 22 Ca -0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 44.72 43.09 2hql s GLY 22 CO 0.84 -1.55 0.07 -0.12 0.00 0.00 0.00 173.10 172.34 2hql s PHE 23 N -3.43 3.14 -0.12 1.90 5.36 -0.59 -0.07 117.98 124.17 2hql s PHE 23 Ca 0.15 -1.01 -0.12 0.00 -0.96 0.00 0.00 56.93 54.99 2hql s PHE 23 Cb 0.03 -2.24 -0.05 0.00 -0.34 0.00 0.00 43.02 40.43 2hql s PHE 23 CO -0.01 -0.58 0.26 -0.51 -1.46 0.00 0.00 175.22 172.91 2hql s LEU 24 N 1.49 4.33 -0.05 6.12 1.02 0.17 -2.50 118.68 129.26 2hql s LEU 24 Ca 0.02 0.56 0.03 0.00 0.02 0.00 0.00 54.13 54.76 2hql s LEU 24 Cb -0.17 -2.31 0.01 0.00 0.02 0.00 0.00 46.19 43.74 2hql s LEU 24 CO 0.02 0.24 -0.11 -0.69 0.02 0.00 0.00 176.35 175.82 2hql s VAL 25 N -0.25 1.02 -0.24 -1.59 1.01 0.01 -0.85 120.40 119.51 2hql s VAL 25 Ca 0.17 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 2hql s VAL 25 Cb -0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2hql s VAL 25 CO 0.05 0.32 0.18 -0.89 0.00 0.00 0.00 175.10 174.76 2hql s THR 26 N 0.46 5.34 0.09 3.92 2.01 -0.12 -0.97 115.64 126.37 2hql s THR 26 Ca -0.09 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.21 2hql s THR 26 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2hql s THR 26 CO 0.02 0.33 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.48 2hql s ILE 27 N 1.12 2.89 -0.03 1.82 1.09 0.82 -0.94 121.20 127.97 2hql s ILE 27 Ca 0.08 -1.35 0.07 0.00 -1.10 0.00 0.00 60.65 58.35 2hql s ILE 27 Cb -0.14 -2.29 -0.02 0.00 -1.06 0.00 0.00 42.46 38.96 2hql s ILE 27 CO 0.05 0.19 -0.23 -0.75 -0.10 0.00 0.00 174.94 174.10 2hql s LYS 28 N -1.89 1.99 -0.15 2.79 2.20 0.23 -0.33 119.74 124.58 2hql s LYS 28 Ca 0.17 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 2hql s LYS 28 Cb -0.11 -1.86 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2hql s LYS 28 CO 0.09 0.46 -0.18 -0.65 -0.36 0.00 0.00 175.35 174.71 2hql s GLN 29 N -0.43 2.69 -0.10 4.03 -0.21 0.14 -1.01 119.66 124.77 2hql s GLN 29 Ca 0.06 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.74 2hql s GLN 29 Cb -0.10 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.61 2hql s GLN 29 CO 0.00 -0.16 -0.15 1.41 -2.12 0.00 0.00 175.29 174.28 2hql s MET 30 N 1.21 2.10 0.10 2.91 -2.45 -1.26 0.27 119.30 122.17 2hql s MET 30 Ca 0.01 -0.53 -0.24 0.00 -1.25 0.00 0.00 55.69 53.69 2hql s MET 30 Cb -0.14 -1.77 0.06 0.00 1.25 0.00 0.00 34.83 34.24 2hql s MET 30 CO -0.08 -0.03 0.58 0.50 1.05 0.00 0.00 175.02 177.04 2hql s ARG 31 N 0.88 1.18 0.04 4.11 3.52 0.11 -4.99 118.95 123.80 2hql s ARG 31 Ca -0.09 -0.32 -0.23 0.00 -0.13 0.00 0.00 55.73 54.96 2hql s ARG 31 Cb -0.15 0.54 -0.06 0.00 -1.56 0.00 0.00 34.95 33.72 2hql s ARG 31 CO 0.00 -0.47 0.70 -0.06 -0.81 0.00 0.00 175.30 174.66 2hql s PHE 32 N -3.06 3.73 0.00 5.12 0.08 -1.26 0.99 117.98 123.58 2hql s PHE 32 Ca -0.02 1.38 -0.06 0.00 0.12 0.00 0.00 56.93 58.35 2hql s PHE 32 Cb -0.00 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.70 2hql s PHE 32 CO -0.07 0.33 -0.12 1.19 -0.10 0.00 0.00 175.22 176.46 2hql n PHE 33 N 2.63 0.00 0.00 0.36 3.72 0.58 -4.92 117.46 119.83 2hql n PHE 33 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2hql n PHE 33 Cb 0.50 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2hql n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hql n GLY 34 N 2.78 0.88 0.02 1.37 0.00 -1.26 -4.87 105.19 104.11 2hql n GLY 34 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2hql n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hql n GLU 35 N 0.00 0.08 -4.38 1.61 0.28 -1.26 -4.93 120.64 112.05 2hql n GLU 35 Ca 0.00 0.03 -0.25 0.00 -0.16 0.00 0.00 57.16 56.78 2hql n GLU 35 Cb 0.00 -1.56 -0.12 0.00 1.43 0.00 0.00 31.44 31.20 2hql n GLU 35 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2hql s ARG 36 N -3.05 1.38 0.06 3.44 0.52 -1.26 -5.12 118.95 114.93 2hql s ARG 36 Ca 0.10 -1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 53.64 2hql s ARG 36 Cb 0.17 -1.61 -0.06 0.00 0.52 0.00 0.00 34.95 33.97 2hql s ARG 36 CO 0.67 0.34 0.69 -1.17 0.02 0.00 0.00 175.30 175.86 2hql s LEU 37 N -2.58 4.48 -0.04 2.53 2.96 -1.26 -0.31 118.68 124.47 2hql s LEU 37 Ca 0.17 1.38 0.06 0.00 -0.22 0.00 0.00 54.13 55.53 2hql s LEU 37 Cb -0.07 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 2hql s LEU 37 CO 0.08 0.11 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.63 2hql s PHE 38 N -0.44 2.15 -0.08 5.38 0.08 0.28 -4.94 117.98 120.41 2hql s PHE 38 Ca 0.35 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.89 2hql s PHE 38 Cb -0.20 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 2hql s PHE 38 CO 0.21 -0.14 -0.21 0.95 -0.10 0.00 0.00 175.22 175.94 2hql s THR 39 N -0.27 1.78 -0.02 0.64 -4.23 -1.26 0.09 115.64 112.36 2hql s THR 39 Ca 0.01 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 2hql s THR 39 Cb -0.11 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2hql s THR 39 CO 0.02 0.50 -0.09 -1.81 -0.54 0.00 0.00 174.62 172.69 2hql s ASP 40 N 0.29 4.43 -0.11 3.99 1.01 0.75 -4.95 116.67 122.07 2hql s ASP 40 Ca -0.14 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.01 2hql s ASP 40 Cb -0.16 -1.01 0.00 0.00 1.01 0.00 0.00 42.92 42.76 2hql s ASP 40 CO 0.06 0.32 -0.23 -0.31 0.21 0.00 0.00 175.17 175.22 2hql s TYR 41 N -0.88 2.61 -0.02 4.23 2.02 -1.26 0.25 117.35 124.29 2hql s TYR 41 Ca 0.14 -1.14 0.05 0.00 -0.37 0.00 0.00 57.07 55.76 2hql s TYR 41 Cb -0.11 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 2hql s TYR 41 CO 0.04 -0.48 -0.16 0.71 -1.57 0.00 0.00 175.55 174.09 2hql s TYR 42 N 0.50 1.50 -0.36 2.71 2.02 0.55 -4.98 117.35 119.30 2hql s TYR 42 Ca -0.15 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 2hql s TYR 42 Cb -0.17 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 2hql s TYR 42 CO 0.05 -0.05 0.16 0.08 -1.57 0.00 0.00 175.55 174.22 2hql s VAL 43 N -0.30 4.20 0.24 0.71 1.01 -1.26 -0.13 120.40 124.87 2hql s VAL 43 Ca 0.04 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.12 2hql s VAL 43 Cb -0.07 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2hql s VAL 43 CO -0.00 -0.20 0.13 0.27 0.00 0.00 0.00 175.10 175.30 2hql s ILE 44 N 1.48 4.19 0.21 2.22 -4.36 -0.14 -1.93 121.20 122.87 2hql s ILE 44 Ca 0.00 -1.47 -0.14 0.00 -0.26 0.00 0.00 60.65 58.78 2hql s ILE 44 Cb -0.19 -3.23 0.01 0.00 1.25 0.00 0.00 42.46 40.30 2hql s ILE 44 CO 0.05 -0.30 0.47 -0.72 0.24 0.00 0.00 174.94 174.67 2hql s TYR 45 N -2.09 0.14 0.00 1.37 1.13 0.85 -0.81 117.35 117.94 2hql s TYR 45 Ca 0.32 -0.50 -0.05 0.00 -1.41 0.00 0.00 57.07 55.43 2hql s TYR 45 Cb -0.08 0.25 -0.00 0.00 -1.10 0.00 0.00 41.96 41.03 2hql s TYR 45 CO 0.23 -0.92 0.09 0.00 -2.51 0.00 0.00 175.55 172.45 2hql s ALA 46 N -3.94 -0.21 0.22 9.51 0.00 -1.04 0.82 121.76 127.12 2hql s ALA 46 Ca 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2hql s ALA 46 Cb -0.00 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2hql s ALA 46 CO 0.02 -0.19 0.04 0.27 0.00 0.00 0.00 175.76 175.91 2hql n ASN 47 N 1.60 2.40 0.00 0.00 2.04 -1.26 -1.54 115.26 118.49 2hql n ASN 47 Ca -0.22 -1.93 0.00 0.00 -0.44 0.00 0.00 54.58 51.99 2hql n ASN 47 Cb 0.56 0.11 0.00 0.00 -2.53 0.00 0.00 39.78 37.92 2hql n ASN 47 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2hql n GLY 48 N 2.32 0.88 0.37 4.83 0.00 -1.26 -2.02 105.19 110.31 2hql n GLY 48 Ca -0.07 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 0.62 -0.02 1.61 4.20 -1.97 -1.54 115.11 118.01 2hql h GLN 49 Ca 0.00 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2hql h GLN 49 Cb 0.00 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 2hql h GLN 49 CO 0.00 0.41 0.04 1.25 -0.67 0.00 0.00 178.83 179.86 2hql h LEU 50 N 0.64 0.00 -0.73 1.46 5.85 -1.86 -1.06 115.31 119.60 2hql h LEU 50 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2hql h LEU 50 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2hql h LEU 50 CO -0.17 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.93 2hql h ALA 51 N 1.93 1.00 0.02 1.25 0.00 -0.65 -1.37 119.26 121.44 2hql h ALA 51 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 2hql h ALA 51 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2hql h ALA 51 CO -0.00 0.00 -1.84 0.66 0.00 0.00 0.00 179.25 178.06 2hql n TYR 52 N -2.54 0.93 -0.01 0.00 4.01 -0.41 -2.32 117.16 116.82 2hql n TYR 52 Ca 0.02 0.30 -0.07 0.00 -0.16 0.00 0.00 57.90 57.99 2hql n TYR 52 Cb 0.31 -1.16 0.10 0.00 -0.31 0.00 0.00 39.34 38.28 2hql n TYR 52 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2hql h GLU 53 N 0.01 0.56 -0.27 -0.72 4.81 -1.47 -1.87 114.58 115.64 2hql h GLU 53 Ca -0.34 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 58.54 2hql h GLU 53 Cb 2.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.42 2hql h GLU 53 CO 0.07 0.88 -0.05 1.25 -0.73 0.00 0.00 179.01 180.43 2hql h LEU 54 N 0.46 0.52 -1.36 1.64 6.46 -1.35 -2.38 115.31 119.30 2hql h LEU 54 Ca 0.04 -0.35 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 2hql h LEU 54 Cb 0.92 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2hql h LEU 54 CO 0.08 0.75 -0.32 -0.08 -0.62 0.00 0.00 178.44 178.25 2hql h GLU 55 N 0.28 0.00 0.03 1.25 4.81 -1.36 -2.44 114.58 117.15 2hql h GLU 55 Ca 0.07 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.06 2hql h GLU 55 Cb 0.51 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.90 2hql h GLU 55 CO 0.02 0.32 -1.02 0.87 -0.73 0.00 0.00 179.01 178.48 2hql h LYS 56 N 0.00 0.44 -0.29 1.92 1.57 -1.26 -2.79 116.57 116.15 2hql h LYS 56 Ca -0.00 -0.51 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 2hql h LYS 56 Cb 0.57 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2hql h LYS 56 CO 0.04 1.17 -0.02 1.25 -0.57 0.00 0.00 179.45 181.32 2hql h HIS 57 N 0.23 0.47 -0.70 -1.35 2.76 -1.23 -0.64 115.15 114.69 2hql h HIS 57 Ca -0.10 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.01 2hql h HIS 57 Cb 1.67 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 30.46 2hql h HIS 57 CO 0.07 0.48 0.37 1.15 -1.30 0.00 0.00 177.93 178.70 2hql h THR 58 N 0.43 1.21 0.00 6.26 2.02 -1.29 0.37 112.91 121.91 2hql h THR 58 Ca 0.09 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 2hql h THR 58 Cb 0.32 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2hql h THR 58 CO 0.01 0.24 -0.63 0.11 0.37 0.00 0.00 175.52 175.62 2hql h LYS 59 N 0.98 0.00 0.00 6.66 1.79 -1.06 -3.39 116.57 121.54 2hql h LYS 59 Ca 0.25 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.63 2hql h LYS 59 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2hql h LYS 59 CO -0.04 0.36 -0.82 1.17 -1.08 0.00 0.00 179.45 179.04 2hql n LYS 60 N -3.11 0.49 -4.09 3.15 4.81 -0.33 -5.02 118.16 114.06 2hql n LYS 60 Ca 0.00 0.52 -0.27 0.00 -0.87 0.00 0.00 58.31 57.69 2hql n LYS 60 Cb 0.71 -1.69 -0.06 0.00 0.02 0.00 0.00 35.03 34.02 2hql n LYS 60 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hql s TYR 61 N -2.32 3.12 -0.43 5.64 1.51 0.12 -5.02 117.35 119.98 2hql s TYR 61 Ca -0.20 -0.02 0.23 0.00 -1.01 0.00 0.00 57.07 56.07 2hql s TYR 61 Cb 0.04 -1.51 0.26 0.00 -0.11 0.00 0.00 41.96 40.64 2hql s TYR 61 CO 0.35 0.52 1.36 -0.22 -1.11 0.00 0.00 175.55 176.45 2hql h LYS 62 N 2.51 0.00 -5.39 -0.62 3.64 -1.88 -3.42 116.57 111.41 2hql h LYS 62 Ca -0.47 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.49 2hql h LYS 62 Cb 1.20 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.83 2hql h LYS 62 CO 0.63 0.00 -0.76 0.95 -2.27 0.00 0.00 179.45 178.00 2hql s THR 63 N -3.25 1.27 0.03 1.00 -4.23 -1.26 -1.27 115.64 107.92 2hql s THR 63 Ca 0.04 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2hql s THR 63 Cb 0.09 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 2hql s THR 63 CO 0.72 -0.38 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.85 2hql s ILE 64 N -1.98 0.28 -0.10 2.99 2.07 -0.71 -4.92 121.20 118.83 2hql s ILE 64 Ca 0.07 -0.92 -0.02 0.00 -1.41 0.00 0.00 60.65 58.37 2hql s ILE 64 Cb -0.06 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.18 2hql s ILE 64 CO 0.03 -0.42 -0.00 -0.55 -1.91 0.00 0.00 174.94 172.09 2hql s SER 65 N -1.41 1.96 0.26 4.50 0.15 -1.26 -1.59 113.70 116.31 2hql s SER 65 Ca -0.12 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.26 2hql s SER 65 Cb -0.09 -0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2hql s SER 65 CO -0.00 -0.21 0.04 2.30 1.20 0.00 0.00 173.24 176.57 2hql n ILE 66 N 5.10 0.00 -3.93 6.45 -5.35 0.03 0.75 119.36 122.41 2hql n ILE 66 Ca -0.08 -1.35 -0.12 0.00 -0.27 0.00 0.00 62.75 60.93 2hql n ILE 66 Cb 0.49 0.39 -0.13 0.00 -1.74 0.00 0.00 39.64 38.65 2hql n ILE 66 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2hql s GLU 67 N -2.95 0.12 0.00 6.28 2.12 0.23 -3.07 118.70 121.43 2hql s GLU 67 Ca 0.06 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2hql s GLU 67 Cb 0.00 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.37 2hql s GLU 67 CO 0.04 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 2hql n GLY 68 N 2.73 0.59 3.33 -1.50 0.00 -0.81 0.17 105.19 109.71 2hql n GLY 68 Ca -0.15 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 2hql n GLY 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hql s ILE 69 N -2.01 2.01 0.14 -0.61 -4.36 -0.77 -0.37 121.20 115.22 2hql s ILE 69 Ca 0.00 -1.55 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 2hql s ILE 69 Cb 0.00 -1.77 -0.07 0.00 1.25 0.00 0.00 42.46 41.87 2hql s ILE 69 CO 0.00 0.13 0.94 -0.22 0.24 0.00 0.00 174.94 176.02 2hql s LEU 70 N -1.72 4.54 0.07 0.37 2.96 -1.26 -1.37 118.68 122.27 2hql s LEU 70 Ca 0.11 1.80 -0.06 0.00 -0.22 0.00 0.00 54.13 55.76 2hql s LEU 70 Cb -0.10 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2hql s LEU 70 CO 0.04 0.01 0.11 -0.13 -1.32 0.00 0.00 176.35 175.06 2hql s ARG 71 N -0.36 0.76 0.12 1.98 0.52 -0.11 -4.93 118.95 116.93 2hql s ARG 71 Ca 0.44 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2hql s ARG 71 Cb -0.24 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 2hql s ARG 71 CO 0.30 -0.21 -0.09 0.95 0.02 0.00 0.00 175.30 176.27 2hql s THR 72 N -3.89 0.95 0.09 0.02 -4.23 -1.26 -0.56 115.64 106.76 2hql s THR 72 Ca 0.06 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 2hql s THR 72 Cb 0.06 -1.68 0.04 0.00 1.34 0.00 0.00 72.50 72.26 2hql s THR 72 CO -0.10 -0.75 0.42 -0.72 -0.54 0.00 0.00 174.62 172.93 2hql s TYR 73 N -3.23 -0.25 -0.22 3.99 -0.85 -0.04 -4.96 117.35 111.79 2hql s TYR 73 Ca 0.12 0.06 -0.14 0.00 -0.52 0.00 0.00 57.07 56.60 2hql s TYR 73 Cb 0.02 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 2hql s TYR 73 CO -0.01 -0.66 0.31 -1.17 -1.52 0.00 0.00 175.55 172.50 2hql s LEU 74 N -2.47 4.13 -0.32 -3.49 0.20 -1.26 -0.40 118.68 115.08 2hql s LEU 74 Ca -0.01 0.35 -0.27 0.00 0.69 0.00 0.00 54.13 54.90 2hql s LEU 74 Cb 0.01 -2.36 0.01 0.00 -0.43 0.00 0.00 46.19 43.42 2hql s LEU 74 CO -0.08 -0.03 0.96 -0.70 -0.29 0.00 0.00 176.35 176.21 2hql s GLU 75 N 1.28 4.01 0.00 1.98 2.12 0.49 -4.98 118.70 123.60 2hql s GLU 75 Ca 0.14 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.34 2hql s GLU 75 Cb -0.14 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.51 2hql s GLU 75 CO 0.07 -0.82 0.08 0.54 -0.54 0.00 0.00 175.26 174.59 2hql n ARG 76 N 6.62 0.00 -0.30 4.30 1.74 -1.26 0.02 116.66 127.78 2hql n ARG 76 Ca 0.09 0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 2hql n ARG 76 Cb 0.47 -0.58 -0.01 0.00 -1.02 0.00 0.00 32.46 31.32 2hql n ARG 76 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hql n LYS 77 N -0.09 0.59 0.00 5.56 3.00 -1.26 -1.35 118.16 124.61 2hql n LYS 77 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2hql n LYS 77 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2hql n LYS 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2hql n SER 78 N 1.84 0.00 0.00 3.14 7.64 -1.13 -5.05 113.62 120.06 2hql n SER 78 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2hql n SER 78 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2hql n SER 78 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2hql n GLU 79 N 0.00 0.00 -3.54 1.43 0.28 0.10 -4.92 120.64 114.00 2hql n GLU 79 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 2hql n GLU 79 Cb 0.00 -2.90 -0.06 0.00 1.43 0.00 0.00 31.44 29.91 2hql n GLU 79 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2hql s ILE 80 N -0.49 5.06 -0.55 3.84 1.01 -1.22 -4.77 121.20 124.07 2hql s ILE 80 Ca 0.00 0.61 -0.23 0.00 0.00 0.00 0.00 60.65 61.02 2hql s ILE 80 Cb 0.00 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.84 2hql s ILE 80 CO 0.00 0.39 0.91 0.26 0.00 0.00 0.00 174.94 176.49 2hql s TRP 81 N -1.29 2.82 -0.01 3.97 0.52 -1.26 -0.38 118.94 123.31 2hql s TRP 81 Ca 0.30 -0.11 -0.06 0.00 0.02 0.00 0.00 56.10 56.25 2hql s TRP 81 Cb -0.15 -4.02 -0.05 0.00 -1.15 0.00 0.00 33.47 28.10 2hql s TRP 81 CO 0.16 -1.33 0.24 0.15 0.02 0.00 0.00 176.95 176.19 2hql s LYS 82 N 3.80 3.54 -0.07 4.98 1.02 0.47 -4.85 119.74 128.63 2hql s LYS 82 Ca 0.28 -0.13 -0.03 0.00 0.02 0.00 0.00 55.97 56.11 2hql s LYS 82 Cb -0.14 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2hql s LYS 82 CO 0.18 0.67 0.07 0.99 -0.92 0.00 0.00 175.35 176.33 2hql s THR 83 N -1.28 4.80 0.33 2.17 2.01 -1.26 -0.86 115.64 121.55 2hql s THR 83 Ca 0.26 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 2hql s THR 83 Cb -0.13 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.30 2hql s THR 83 CO 0.16 0.52 0.61 0.28 -0.69 0.00 0.00 174.62 175.50 2hql s THR 84 N -1.03 0.00 -0.12 -0.82 -1.32 0.27 -4.72 115.64 107.90 2hql s THR 84 Ca 0.17 -1.29 0.03 0.00 -1.21 0.00 0.00 61.69 59.39 2hql s THR 84 Cb -0.12 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2hql s THR 84 CO 0.07 0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.62 2hql s ILE 85 N -3.11 2.12 -0.21 5.08 1.09 -0.82 -0.93 121.20 124.42 2hql s ILE 85 Ca 0.21 -0.98 -0.19 0.00 -1.10 0.00 0.00 60.65 58.60 2hql s ILE 85 Cb -0.03 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 2hql s ILE 85 CO 0.13 0.55 0.54 -0.70 -0.10 0.00 0.00 174.94 175.37 2hql s GLU 86 N 0.57 4.17 0.32 2.79 2.12 -0.47 -0.11 118.70 128.09 2hql s GLU 86 Ca -0.13 0.45 -0.28 0.00 0.36 0.00 0.00 54.97 55.37 2hql s GLU 86 Cb -0.17 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 2hql s GLU 86 CO 0.04 -0.21 1.15 0.42 -0.54 0.00 0.00 175.26 176.12 2hql s ILE 87 N 1.83 3.28 -0.13 -3.70 1.01 0.24 -1.85 121.20 121.88 2hql s ILE 87 Ca 0.25 1.23 -0.03 0.00 0.00 0.00 0.00 60.65 62.10 2hql s ILE 87 Cb -0.16 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 2hql s ILE 87 CO 0.10 0.25 -0.14 0.52 0.00 0.00 0.00 174.94 175.66 2hql n VAL 88 N 0.83 0.71 -3.73 2.92 0.31 0.46 -4.90 118.33 114.94 2hql n VAL 88 Ca 0.00 -0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 2hql n VAL 88 Cb 0.45 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.94 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 -2.24 0.39 0.09 5.55 2.20 -0.63 -4.97 119.74 120.14 2hql s LYS 89 Ca -0.18 0.61 -0.08 0.00 -0.36 0.00 0.00 55.97 55.97 2hql s LYS 89 Cb 0.06 0.09 -0.06 0.00 -1.51 0.00 0.00 37.83 36.41 2hql s LYS 89 CO 0.26 -0.10 0.39 0.42 -0.36 0.00 0.00 175.35 175.95 2hql s ILE 90 N 0.74 5.13 0.30 5.43 1.09 -1.26 0.77 121.20 133.39 2hql s ILE 90 Ca -0.04 0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.88 2hql s ILE 90 Cb -0.06 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.69 2hql s ILE 90 CO -0.05 0.21 0.31 -0.36 -0.10 0.00 0.00 174.94 174.95 2hql s PHE 91 N -1.48 3.08 -0.20 3.97 0.08 0.23 -4.94 117.98 118.72 2hql s PHE 91 Ca 0.35 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.92 2hql s PHE 91 Cb -0.13 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 2hql s PHE 91 CO 0.20 0.28 1.12 1.21 -0.10 0.00 0.00 175.22 177.93 2hql s ASN 92 N -3.98 7.06 0.54 1.36 3.84 -1.26 -4.65 114.94 117.84 2hql s ASN 92 Ca 0.38 1.51 0.28 0.00 0.21 0.00 0.00 52.86 55.24 2hql s ASN 92 Cb -0.08 -2.54 1.45 0.00 -0.55 0.00 0.00 41.25 39.53 2hql s ASN 92 CO 0.27 -0.68 1.96 1.55 -2.79 0.00 0.00 177.10 177.40 2hql h PRO 93 N 7.68 0.00 -0.33 0.43 0.13 -1.93 0.20 132.00 138.18 2hql h PRO 93 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2hql h PRO 93 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2hql h PRO 93 CO 0.97 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.91 2hql n LYS 94 N -4.21 1.50 -4.76 0.86 3.00 -1.26 -4.81 118.16 108.48 2hql n LYS 94 Ca 0.12 -0.63 -0.25 0.00 -0.00 0.00 0.00 58.31 57.54 2hql n LYS 94 Cb 0.70 -1.25 -0.15 0.00 0.00 0.00 0.00 35.03 34.33 2hql n LYS 94 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2hql s ASN 95 N -0.82 2.16 0.63 3.14 0.01 0.71 -5.15 114.94 115.63 2hql s ASN 95 Ca 0.12 -0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 2hql s ASN 95 Cb 0.07 -0.22 0.08 0.00 0.41 0.00 0.00 41.25 41.59 2hql s ASN 95 CO 0.07 0.19 0.55 1.21 -1.51 0.00 0.00 177.10 177.60 2hql n GLU 96 N 2.37 0.10 0.00 -0.60 2.13 -1.26 -4.75 120.64 118.63 2hql n GLU 96 Ca -0.16 -1.36 0.00 0.00 0.66 0.00 0.00 57.16 56.30 2hql n GLU 96 Cb 0.54 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.85 2hql n GLU 96 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2hql n ILE 97 N -2.27 0.00 -0.94 6.31 2.08 -1.26 -5.03 119.36 118.26 2hql n ILE 97 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 2hql n ILE 97 Cb 0.31 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 2hql n ILE 97 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63