#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dql s GLN 3 N 0.00 0.37 0.01 5.55 0.74 -0.85 -4.98 119.66 120.50 1dql s GLN 3 Ca 0.00 0.67 0.06 0.00 0.05 0.00 0.00 55.36 56.14 1dql s GLN 3 Cb 0.00 0.02 -0.02 0.00 1.10 0.00 0.00 33.01 34.12 1dql s GLN 3 CO 0.00 -0.13 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.91 1dql s LEU 4 N 1.04 2.09 -0.05 3.68 1.43 -1.26 -1.84 118.68 123.76 1dql s LEU 4 Ca -0.07 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1dql s LEU 4 Cb -0.07 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.25 1dql s LEU 4 CO -0.08 0.19 0.09 -0.69 0.23 0.00 0.00 176.35 176.09 1dql s VAL 5 N -0.58 -0.14 0.20 -1.59 1.01 -0.31 -4.19 120.40 114.79 1dql s VAL 5 Ca 0.07 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1dql s VAL 5 Cb -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1dql s VAL 5 CO 0.00 0.15 0.42 -1.61 0.00 0.00 0.00 175.10 174.06 1dql s GLU 6 N 1.95 3.59 0.18 2.72 8.01 -1.26 0.10 118.70 133.99 1dql s GLU 6 Ca 0.01 -0.16 -0.23 0.00 0.01 0.00 0.00 54.97 54.60 1dql s GLU 6 Cb -0.12 -2.80 0.06 0.00 -4.31 0.00 0.00 34.13 26.95 1dql s GLU 6 CO -0.04 0.39 0.69 -1.54 0.01 0.00 0.00 175.26 174.77 1dql s SER 7 N -2.86 -0.42 0.00 -0.19 1.04 0.47 -4.71 113.70 107.04 1dql s SER 7 Ca 0.41 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1dql s SER 7 Cb -0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1dql s SER 7 CO 0.27 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1dql n GLY 8 N -0.40 0.49 3.76 7.32 0.00 -1.26 -1.56 105.19 113.54 1dql n GLY 8 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1dql n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dql s GLY 9 N -2.06 1.76 0.00 -0.02 0.00 -1.26 -4.78 107.32 100.96 1dql s GLY 9 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1dql s GLY 9 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1dql n GLY 10 N -1.03 -0.57 3.68 0.20 0.00 -1.05 -4.87 105.19 101.55 1dql n GLY 10 Ca 0.09 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1dql n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dql s LEU 11 N 0.00 4.16 0.08 0.99 1.98 -1.26 -2.00 118.68 122.63 1dql s LEU 11 Ca 0.00 0.45 0.03 0.00 -2.89 0.00 0.00 54.13 51.71 1dql s LEU 11 Cb 0.00 -2.43 -0.03 0.00 0.66 0.00 0.00 46.19 44.39 1dql s LEU 11 CO 0.00 -0.03 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.65 1dql s VAL 12 N 1.16 0.77 0.21 1.68 1.01 -1.13 -5.01 120.40 119.09 1dql s VAL 12 Ca 0.17 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.44 1dql s VAL 12 Cb -0.14 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 1dql s VAL 12 CO 0.07 -0.59 0.60 -1.10 0.00 0.00 0.00 175.10 174.08 1dql s GLN 13 N -2.75 3.97 -0.23 2.72 -0.21 -1.25 -0.95 119.66 120.96 1dql s GLN 13 Ca 0.03 0.51 -0.36 0.00 0.02 0.00 0.00 55.36 55.56 1dql s GLN 13 Cb -0.03 -2.76 -0.13 0.00 1.00 0.00 0.00 33.01 31.09 1dql s GLN 13 CO -0.01 0.37 1.94 -2.30 -2.12 0.00 0.00 175.29 173.16 1dql n PRO 14 N 0.34 1.51 0.00 2.91 -0.02 -1.26 -1.19 135.00 137.29 1dql n PRO 14 Ca -0.02 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1dql n PRO 14 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1dql n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dql n GLY 15 N 5.01 2.03 2.46 -1.23 0.00 0.39 -4.96 105.19 108.88 1dql n GLY 15 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 1dql n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dql n GLY 16 N -0.37 -2.93 3.40 -0.02 0.00 -0.33 -3.87 105.19 101.07 1dql n GLY 16 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 1dql n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dql s SER 17 N -3.45 3.16 -0.16 1.61 0.01 -1.26 -2.34 113.70 111.27 1dql s SER 17 Ca 0.50 -0.94 -0.22 0.00 1.31 0.00 0.00 55.95 56.61 1dql s SER 17 Cb -0.06 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.00 1dql s SER 17 CO 0.39 0.01 0.57 -0.22 0.41 0.00 0.00 173.24 174.40 1dql s LEU 18 N -3.01 -0.19 -0.11 2.44 1.98 -0.17 -5.02 118.68 114.60 1dql s LEU 18 Ca 0.22 0.94 0.03 0.00 -2.89 0.00 0.00 54.13 52.44 1dql s LEU 18 Cb -0.05 2.02 -0.00 0.00 0.66 0.00 0.00 46.19 48.82 1dql s LEU 18 CO 0.10 -0.32 -0.21 -0.60 -1.89 0.00 0.00 176.35 173.43 1dql s ARG 19 N -0.21 3.11 0.13 1.98 3.52 -1.26 -0.99 118.95 125.23 1dql s ARG 19 Ca -0.04 -0.84 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 1dql s ARG 19 Cb -0.03 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 1dql s ARG 19 CO 0.03 0.15 0.35 -0.51 -0.81 0.00 0.00 175.30 174.51 1dql s LEU 20 N 0.44 4.28 -0.01 -0.88 1.02 0.11 -4.71 118.68 118.94 1dql s LEU 20 Ca -0.15 0.53 0.02 0.00 0.02 0.00 0.00 54.13 54.56 1dql s LEU 20 Cb -0.17 -3.26 -0.01 0.00 0.02 0.00 0.00 46.19 42.78 1dql s LEU 20 CO 0.06 0.06 -0.08 -0.55 0.02 0.00 0.00 176.35 175.87 1dql s SER 21 N -2.47 0.93 -0.27 2.29 0.15 -0.60 -1.57 113.70 112.16 1dql s SER 21 Ca 0.40 -0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.90 1dql s SER 21 Cb -0.12 -0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.16 1dql s SER 21 CO 0.25 0.10 0.05 0.00 1.20 0.00 0.00 173.24 174.84 1dql s ALA 23 N 1.55 3.54 0.08 0.00 0.00 0.12 -1.57 121.76 125.49 1dql s ALA 23 Ca 0.04 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1dql s ALA 23 Cb -0.18 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1dql s ALA 23 CO -0.16 -0.71 0.03 0.00 0.00 0.00 0.00 175.76 174.93 1dql s ALA 24 N 2.29 3.40 0.20 0.00 0.00 -0.82 -1.17 121.76 125.67 1dql s ALA 24 Ca 0.38 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 1dql s ALA 24 Cb -0.16 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.71 1dql s ALA 24 CO 0.11 0.72 0.71 -1.54 0.00 0.00 0.00 175.76 175.76 1dql s SER 25 N -2.32 -0.39 0.00 0.00 1.04 -0.77 -4.87 113.70 106.40 1dql s SER 25 Ca 0.27 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1dql s SER 25 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1dql s SER 25 CO 0.20 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1dql n GLY 26 N -0.41 0.77 3.82 7.32 0.00 -1.26 -2.01 105.19 113.42 1dql n GLY 26 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1dql n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dql s PHE 27 N -2.81 -0.00 -1.34 1.61 -0.71 -1.26 -3.85 117.98 109.62 1dql s PHE 27 Ca 0.00 -0.56 -0.15 0.00 -1.04 0.00 0.00 56.93 55.17 1dql s PHE 27 Cb 0.00 0.75 0.09 0.00 -1.21 0.00 0.00 43.02 42.65 1dql s PHE 27 CO 0.00 -1.40 1.88 0.25 -1.34 0.00 0.00 175.22 174.60 1dql n THR 28 N -0.50 3.87 -0.33 -4.49 -2.24 -1.26 -4.84 114.28 104.50 1dql n THR 28 Ca -0.06 -3.87 0.20 0.00 -2.27 0.00 0.00 64.05 58.05 1dql n THR 28 Cb 0.60 -2.45 0.38 0.00 -2.10 0.00 0.00 70.33 66.75 1dql n THR 28 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1dql n PHE 29 N 6.73 0.78 0.31 4.78 7.35 -1.26 -0.32 117.46 135.83 1dql n PHE 29 Ca 0.47 1.18 0.19 0.00 -0.76 0.00 0.00 57.45 58.53 1dql n PHE 29 Cb 0.42 -1.33 1.01 0.00 0.35 0.00 0.00 39.48 39.93 1dql n PHE 29 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1dql h SER 30 N 0.00 0.00 -0.45 -2.13 0.87 -1.88 -2.57 113.55 107.39 1dql h SER 30 Ca 0.67 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.19 1dql h SER 30 Cb 1.52 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 1dql h SER 30 CO -0.87 0.00 0.03 -1.54 -0.53 0.00 0.00 176.83 173.92 1dql n SER 31 N -3.23 4.69 -4.39 6.23 3.41 0.56 -4.62 113.62 116.28 1dql n SER 31 Ca -0.02 -3.05 -0.20 0.00 -0.26 0.00 0.00 58.87 55.34 1dql n SER 31 Cb 0.21 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1dql n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1dql s TYR 32 N -2.86 1.85 0.09 7.33 1.51 -0.97 -3.45 117.35 120.86 1dql s TYR 32 Ca 0.49 -0.63 -0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1dql s TYR 32 Cb 0.39 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1dql s TYR 32 CO 0.12 0.33 0.25 0.00 -1.11 0.00 0.00 175.55 175.14 1dql s ALA 33 N -2.98 3.97 0.03 3.71 0.00 -0.94 -3.47 121.76 122.08 1dql s ALA 33 Ca 0.26 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1dql s ALA 33 Cb 0.01 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1dql s ALA 33 CO 0.10 0.75 -0.18 -1.64 0.00 0.00 0.00 175.76 174.78 1dql s MET 34 N -2.68 1.24 0.28 0.00 -1.94 -0.86 0.18 119.30 115.52 1dql s MET 34 Ca 0.36 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 1dql s MET 34 Cb -0.12 -1.30 -0.06 0.00 2.01 0.00 0.00 34.83 35.36 1dql s MET 34 CO 0.28 0.33 -0.09 -1.01 -0.01 0.00 0.00 175.02 174.52 1dql s HIS 35 N -0.74 2.04 -0.05 -0.03 3.76 -0.78 -1.60 115.29 117.89 1dql s HIS 35 Ca 0.05 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.39 1dql s HIS 35 Cb -0.08 -1.10 0.01 0.00 1.11 0.00 0.00 32.58 32.51 1dql s HIS 35 CO 0.01 0.40 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.59 1dql s TRP 36 N -2.87 1.39 0.09 1.40 0.52 -0.05 -2.08 118.94 117.33 1dql s TRP 36 Ca 0.29 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 55.99 1dql s TRP 36 Cb 0.02 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.31 1dql s TRP 36 CO 0.12 -0.20 -0.08 0.08 0.02 0.00 0.00 176.95 176.89 1dql s VAL 37 N 0.40 0.73 0.13 4.03 1.01 -0.10 -0.75 120.40 125.84 1dql s VAL 37 Ca -0.09 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.15 1dql s VAL 37 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1dql s VAL 37 CO 0.02 -0.72 0.04 0.00 0.00 0.00 0.00 175.10 174.44 1dql s ARG 38 N -3.24 0.93 -0.21 2.72 1.70 -0.22 -0.08 118.95 120.55 1dql s ARG 38 Ca 0.07 -1.44 -0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1dql s ARG 38 Cb 0.01 0.18 0.10 0.00 -0.57 0.00 0.00 34.95 34.67 1dql s ARG 38 CO -0.03 -0.24 0.27 -1.14 -1.08 0.00 0.00 175.30 173.09 1dql s GLN 39 N -4.02 0.23 0.65 3.89 0.74 -0.82 -1.18 119.66 119.14 1dql s GLN 39 Ca 0.23 0.37 -0.16 0.00 0.05 0.00 0.00 55.36 55.84 1dql s GLN 39 Cb 0.07 -0.85 -0.01 0.00 1.10 0.00 0.00 33.01 33.32 1dql s GLN 39 CO 0.01 -0.60 1.16 0.00 -0.55 0.00 0.00 175.29 175.31 1dql s ALA 40 N 2.40 2.43 -0.14 1.58 0.00 -1.26 -2.72 121.76 124.06 1dql s ALA 40 Ca 0.08 0.77 -0.34 0.00 0.00 0.00 0.00 51.96 52.47 1dql s ALA 40 Cb -0.15 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 1dql s ALA 40 CO -0.13 -1.33 1.93 -2.30 0.00 0.00 0.00 175.76 173.94 1dql n PRO 41 N -2.14 1.99 -0.99 0.00 -0.02 -1.26 -0.86 135.00 131.71 1dql n PRO 41 Ca 0.12 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1dql n PRO 41 Cb 0.51 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1dql n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dql n GLY 42 N 4.70 0.92 1.79 -1.23 0.00 -1.26 -5.01 105.19 105.10 1dql n GLY 42 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1dql n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dql n LYS 43 N -2.11 1.04 -0.33 1.61 4.01 -0.04 -5.15 118.16 117.19 1dql n LYS 43 Ca 0.00 -1.57 0.00 0.00 -0.51 0.00 0.00 58.31 56.23 1dql n LYS 43 Cb 0.00 0.11 0.00 0.00 -0.51 0.00 0.00 35.03 34.63 1dql n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dql n GLY 44 N 1.85 0.75 3.80 0.72 0.00 -1.26 -4.67 105.19 106.39 1dql n GLY 44 Ca 0.01 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 1dql n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dql s LEU 45 N 0.00 4.50 -0.04 0.99 1.02 -1.26 -4.09 118.68 119.80 1dql s LEU 45 Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 54.13 55.55 1dql s LEU 45 Cb 0.00 -3.22 0.03 0.00 0.02 0.00 0.00 46.19 43.03 1dql s LEU 45 CO 0.00 0.19 0.06 -1.61 0.02 0.00 0.00 176.35 175.00 1dql s GLU 46 N -1.38 -0.05 0.36 1.70 2.02 -0.32 -5.00 118.70 116.03 1dql s GLU 46 Ca 0.35 0.32 -0.27 0.00 0.02 0.00 0.00 54.97 55.39 1dql s GLU 46 Cb -0.20 -0.38 -0.09 0.00 0.10 0.00 0.00 34.13 33.56 1dql s GLU 46 CO 0.22 -0.26 1.18 -0.46 0.02 0.00 0.00 175.26 175.96 1dql s TRP 47 N 1.70 3.17 0.00 1.61 -0.00 -1.26 -1.06 118.94 123.11 1dql s TRP 47 Ca -0.01 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 1dql s TRP 47 Cb -0.12 -3.41 0.00 0.00 -0.00 0.00 0.00 33.47 29.93 1dql s TRP 47 CO -0.03 -1.24 0.00 1.33 -0.00 0.00 0.00 176.95 177.01 1dql n VAL 48 N 0.42 0.00 -3.58 5.86 0.24 0.07 -4.79 118.33 116.55 1dql n VAL 48 Ca 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 1dql n VAL 48 Cb 0.45 -1.15 -0.04 0.00 -1.47 0.00 0.00 33.84 31.63 1dql n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dql s ALA 49 N -1.99 -1.12 -0.06 2.33 0.00 -1.04 -2.36 121.76 117.53 1dql s ALA 49 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 1dql s ALA 49 Cb 0.00 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1dql s ALA 49 CO 0.00 -0.66 0.17 0.54 0.00 0.00 0.00 175.76 175.81 1dql s VAL 50 N -3.65 -0.00 -0.05 0.00 0.11 -0.83 -0.87 120.40 115.11 1dql s VAL 50 Ca 0.02 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1dql s VAL 50 Cb 0.01 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1dql s VAL 50 CO -0.11 0.01 -0.15 -0.51 -3.33 0.00 0.00 175.10 171.00 1dql s ILE 51 N 0.17 1.28 0.96 7.04 2.07 -0.63 -1.66 121.20 130.44 1dql s ILE 51 Ca -0.01 -0.61 -0.12 0.00 -1.41 0.00 0.00 60.65 58.50 1dql s ILE 51 Cb -0.02 -1.12 0.17 0.00 0.13 0.00 0.00 42.46 41.62 1dql s ILE 51 CO -0.00 0.38 1.09 -0.94 -1.91 0.00 0.00 174.94 173.56 1dql s SER 52 N 0.25 2.91 0.17 4.50 1.04 -0.30 -2.03 113.70 120.24 1dql s SER 52 Ca -0.07 1.29 -0.19 0.00 0.48 0.00 0.00 55.95 57.45 1dql s SER 52 Cb -0.13 -1.96 0.10 0.00 0.10 0.00 0.00 66.02 64.13 1dql s SER 52 CO 0.03 -2.97 1.63 0.77 0.98 0.00 0.00 173.24 173.68 1dql h SER 53 N -1.78 -0.72 -0.19 7.02 4.64 -1.86 -1.61 113.55 119.04 1dql h SER 53 Ca -0.53 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1dql h SER 53 Cb 1.31 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1dql h SER 53 CO 0.57 -0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 175.38 1dql n ASP 54 N -5.38 1.52 0.00 4.97 3.85 -1.26 -4.85 116.55 115.40 1dql n ASP 54 Ca 0.02 -2.09 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 1dql n ASP 54 Cb 0.30 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 1dql n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1dql n GLY 55 N 0.61 0.26 0.29 6.12 0.00 -0.61 -4.86 105.19 107.00 1dql n GLY 55 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1dql n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dql h GLY 56 N 0.00 0.69 -4.46 -0.02 0.00 -1.89 -3.44 103.07 93.95 1dql h GLY 56 Ca 0.00 -0.39 -0.66 0.00 0.00 0.00 0.00 47.33 46.28 1dql h GLY 56 CO 0.00 0.37 -0.87 -1.31 0.00 0.00 0.00 176.54 174.73 1dql s ASN 57 N -6.67 2.88 -0.01 0.19 0.02 -1.26 -5.01 114.94 105.08 1dql s ASN 57 Ca -0.08 -0.53 -0.01 0.00 -1.02 0.00 0.00 52.86 51.22 1dql s ASN 57 Cb 0.16 -0.27 0.00 0.00 0.02 0.00 0.00 41.25 41.16 1dql s ASN 57 CO 0.78 0.24 0.03 -0.54 0.02 0.00 0.00 177.10 177.63 1dql s LYS 58 N -1.03 0.04 0.00 -0.60 1.02 -1.26 -1.15 119.74 116.76 1dql s LYS 58 Ca 0.10 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.13 1dql s LYS 58 Cb -0.09 0.02 -0.00 0.00 -0.52 0.00 0.00 37.83 37.23 1dql s LYS 58 CO 0.01 -0.00 -0.01 0.71 -0.92 0.00 0.00 175.35 175.13 1dql s TYR 59 N 0.01 0.11 0.12 3.18 1.51 -0.66 -5.01 117.35 116.60 1dql s TYR 59 Ca -0.00 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 1dql s TYR 59 Cb -0.00 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 1dql s TYR 59 CO 0.00 -0.02 -0.10 0.71 -1.11 0.00 0.00 175.55 175.04 1dql s TYR 60 N -0.15 1.11 0.46 2.71 2.02 -1.26 -1.97 117.35 120.27 1dql s TYR 60 Ca -0.01 -0.73 -0.20 0.00 -0.37 0.00 0.00 57.07 55.75 1dql s TYR 60 Cb -0.01 -0.59 -0.10 0.00 -0.40 0.00 0.00 41.96 40.86 1dql s TYR 60 CO -0.00 0.01 0.99 0.95 -1.57 0.00 0.00 175.55 175.93 1dql s THR 61 N -2.95 4.11 0.29 -0.71 -4.23 -0.99 -4.91 115.64 106.24 1dql s THR 61 Ca 0.11 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1dql s THR 61 Cb 0.00 -3.53 0.34 0.00 1.34 0.00 0.00 72.50 70.65 1dql s THR 61 CO -0.01 -0.30 1.62 0.44 -0.54 0.00 0.00 174.62 175.83 1dql h ASP 62 N 1.67 -0.24 -0.12 3.99 5.19 -1.98 -1.83 116.42 123.11 1dql h ASP 62 Ca -0.49 0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1dql h ASP 62 Cb 1.20 0.36 -0.00 0.00 0.18 0.00 0.00 39.33 41.07 1dql h ASP 62 CO 0.60 -0.24 0.33 0.77 -3.12 0.00 0.00 179.24 177.58 1dql h SER 63 N 0.11 0.00 0.00 6.45 4.64 -1.99 -2.84 113.55 119.92 1dql h SER 63 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1dql h SER 63 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1dql h SER 63 CO -0.76 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.53 1dql n VAL 64 N -3.18 0.34 -1.68 0.95 0.24 -0.69 -5.00 118.33 109.31 1dql n VAL 64 Ca 0.01 -0.61 -0.47 0.00 -2.04 0.00 0.00 64.34 61.23 1dql n VAL 64 Cb 0.42 0.91 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 1dql n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1dql n LYS 65 N -0.17 2.32 0.00 7.34 4.76 -1.07 -1.15 118.16 130.18 1dql n LYS 65 Ca 0.00 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1dql n LYS 65 Cb 0.13 -2.70 0.00 0.00 -1.84 0.00 0.00 35.03 30.62 1dql n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dql n GLY 66 N 4.24 3.31 0.11 0.72 0.00 -1.26 -4.84 105.19 107.48 1dql n GLY 66 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 1dql n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dql n ARG 67 N -1.50 0.70 -4.24 1.61 1.74 -0.30 -4.98 116.66 109.69 1dql n ARG 67 Ca 0.00 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 1dql n ARG 67 Cb 0.00 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.85 1dql n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1dql s PHE 68 N -2.49 3.00 -0.07 -1.55 0.40 -0.78 -1.24 117.98 115.25 1dql s PHE 68 Ca -0.23 0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1dql s PHE 68 Cb 0.07 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 42.04 1dql s PHE 68 CO 0.68 0.46 -0.01 0.99 0.70 0.00 0.00 175.22 178.03 1dql s THR 69 N -1.18 0.43 -0.03 0.64 2.01 0.00 -4.89 115.64 112.63 1dql s THR 69 Ca 0.22 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 1dql s THR 69 Cb -0.12 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1dql s THR 69 CO 0.14 0.26 0.21 -0.51 -0.69 0.00 0.00 174.62 174.03 1dql s ILE 70 N 1.78 5.39 0.27 1.82 2.07 -1.26 -0.71 121.20 130.56 1dql s ILE 70 Ca 0.02 0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 1dql s ILE 70 Cb -0.13 -3.53 0.01 0.00 0.13 0.00 0.00 42.46 38.95 1dql s ILE 70 CO -0.05 0.41 0.62 -0.94 -1.91 0.00 0.00 174.94 173.07 1dql s SER 71 N -1.64 -0.18 0.11 4.50 1.04 -1.08 -5.02 113.70 111.43 1dql s SER 71 Ca 0.25 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 1dql s SER 71 Cb -0.13 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1dql s SER 71 CO 0.15 -1.26 0.29 0.00 0.98 0.00 0.00 173.24 173.39 1dql s ARG 72 N -3.94 0.96 -0.38 4.02 1.70 -1.26 -0.52 118.95 119.53 1dql s ARG 72 Ca 0.16 -0.86 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 1dql s ARG 72 Cb -0.04 0.40 0.12 0.00 -0.57 0.00 0.00 34.95 34.86 1dql s ARG 72 CO 0.08 -0.35 0.16 1.21 -1.08 0.00 0.00 175.30 175.33 1dql s ASN 73 N -2.84 3.91 0.00 -2.89 3.84 -0.00 -4.98 114.94 111.98 1dql s ASN 73 Ca 0.05 -2.18 0.00 0.00 0.21 0.00 0.00 52.86 50.93 1dql s ASN 73 Cb 0.03 -1.02 0.00 0.00 -0.55 0.00 0.00 41.25 39.71 1dql s ASN 73 CO -0.11 -0.34 0.35 0.47 -2.79 0.00 0.00 177.10 174.68 1dql n ASP 74 N 4.14 0.19 -0.09 -4.21 8.00 -1.26 -0.98 116.55 122.34 1dql n ASP 74 Ca 0.04 -0.88 -0.17 0.00 0.71 0.00 0.00 54.79 54.48 1dql n ASP 74 Cb 0.38 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1dql n ASP 74 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1dql n SER 75 N -0.16 1.84 -0.58 -2.24 7.64 -1.26 -4.50 113.62 114.35 1dql n SER 75 Ca 0.00 0.10 0.13 0.00 1.01 0.00 0.00 58.87 60.12 1dql n SER 75 Cb 0.05 -0.45 0.41 0.00 -1.01 0.00 0.00 64.21 63.21 1dql n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dql n LYS 76 N -3.53 1.77 -3.57 1.43 5.02 -0.87 -4.95 118.16 113.46 1dql n LYS 76 Ca -0.35 -1.17 -0.20 0.00 -2.02 0.00 0.00 58.31 54.57 1dql n LYS 76 Cb 0.79 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 34.39 1dql n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dql n ASN 77 N 0.40 -2.03 -4.14 4.39 5.03 -0.15 -4.86 115.26 113.91 1dql n ASN 77 Ca 0.17 -0.71 -0.21 0.00 0.87 0.00 0.00 54.58 54.71 1dql n ASN 77 Cb 0.41 -4.62 -0.14 0.00 -1.02 0.00 0.00 39.78 34.41 1dql n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1dql s THR 78 N -3.49 1.13 -0.07 3.41 2.01 -1.08 -1.95 115.64 115.61 1dql s THR 78 Ca 0.06 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1dql s THR 78 Cb -0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1dql s THR 78 CO 0.77 0.09 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.45 1dql s LEU 79 N -0.92 2.86 0.24 4.42 2.96 -0.61 -0.82 118.68 126.80 1dql s LEU 79 Ca 0.03 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1dql s LEU 79 Cb -0.07 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1dql s LEU 79 CO 0.01 0.32 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.92 1dql s TYR 80 N -0.57 1.86 -0.22 5.38 2.02 0.32 -0.38 117.35 125.76 1dql s TYR 80 Ca 0.08 -0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1dql s TYR 80 Cb -0.12 -0.91 0.09 0.00 -0.40 0.00 0.00 41.96 40.62 1dql s TYR 80 CO 0.01 0.39 0.18 -1.17 -1.57 0.00 0.00 175.55 173.39 1dql s LEU 81 N -3.38 0.11 -0.33 -1.29 2.96 -0.61 -2.62 118.68 113.52 1dql s LEU 81 Ca 0.25 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.41 1dql s LEU 81 Cb -0.00 0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.78 1dql s LEU 81 CO 0.09 -0.36 0.54 -1.58 -1.32 0.00 0.00 176.35 173.72 1dql s GLN 82 N 2.24 3.74 -0.18 1.98 2.00 0.12 -0.71 119.66 128.84 1dql s GLN 82 Ca 0.06 -0.01 -0.04 0.00 -2.00 0.00 0.00 55.36 53.37 1dql s GLN 82 Cb -0.16 -3.77 -0.02 0.00 0.80 0.00 0.00 33.01 29.86 1dql s GLN 82 CO -0.18 -0.59 -0.02 -1.64 -0.50 0.00 0.00 175.29 172.36 1dql s MET 83 N 2.43 3.60 0.16 1.67 -1.94 -0.16 -0.82 119.30 124.25 1dql s MET 83 Ca 0.20 -0.54 0.09 0.00 -1.71 0.00 0.00 55.69 53.74 1dql s MET 83 Cb -0.15 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1dql s MET 83 CO 0.13 0.08 -0.21 -0.80 -0.01 0.00 0.00 175.02 174.20 1dql s ASN 84 N 0.80 2.91 -1.23 3.03 -0.87 -0.38 -1.00 114.94 118.21 1dql s ASN 84 Ca -0.01 -0.82 -0.01 0.00 -1.57 0.00 0.00 52.86 50.45 1dql s ASN 84 Cb -0.14 -0.19 0.00 0.00 -0.02 0.00 0.00 41.25 40.90 1dql s ASN 84 CO 0.02 0.04 0.99 -1.20 -2.57 0.00 0.00 177.10 174.39 1dql n SER 85 N 0.48 -2.48 -4.67 -1.22 7.64 -1.15 -4.72 113.62 107.51 1dql n SER 85 Ca -0.15 -0.63 -0.42 0.00 1.01 0.00 0.00 58.87 58.68 1dql n SER 85 Cb 0.56 -5.01 -0.03 0.00 -1.01 0.00 0.00 64.21 58.72 1dql n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dql s LEU 86 N -6.50 4.41 0.30 -3.43 1.43 -0.99 -4.73 118.68 109.17 1dql s LEU 86 Ca 0.07 2.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.82 1dql s LEU 86 Cb -0.03 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1dql s LEU 86 CO 0.74 -1.02 0.46 -0.13 0.23 0.00 0.00 176.35 176.63 1dql s ARG 87 N 4.06 3.37 0.31 1.70 0.52 -1.26 -0.46 118.95 127.19 1dql s ARG 87 Ca 0.84 -0.66 0.24 0.00 -0.52 0.00 0.00 55.73 55.63 1dql s ARG 87 Cb -0.42 -2.79 1.13 0.00 0.52 0.00 0.00 34.95 33.39 1dql s ARG 87 CO 0.39 0.23 1.72 1.79 0.02 0.00 0.00 175.30 179.44 1dql h THR 88 N 0.94 0.00 -0.02 0.02 1.35 -1.95 -1.92 112.91 111.32 1dql h THR 88 Ca -0.50 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1dql h THR 88 Cb 1.23 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1dql h THR 88 CO 0.59 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.24 1dql n GLU 89 N -2.30 1.16 0.00 4.72 4.71 -1.26 -3.32 120.64 124.35 1dql n GLU 89 Ca 0.00 -0.24 0.10 0.00 -0.01 0.00 0.00 57.16 57.01 1dql n GLU 89 Cb 0.14 -1.38 -0.08 0.00 -1.01 0.00 0.00 31.44 29.10 1dql n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1dql n ASP 90 N -0.61 1.12 -4.69 1.62 8.00 -0.72 -4.94 116.55 116.33 1dql n ASP 90 Ca 0.18 -1.03 -0.55 0.00 0.71 0.00 0.00 54.79 54.09 1dql n ASP 90 Cb 0.14 0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 42.06 1dql n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dql n THR 91 N -1.29 0.35 -3.59 -3.53 -1.04 -1.21 -4.85 114.28 99.12 1dql n THR 91 Ca 0.05 -0.08 0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1dql n THR 91 Cb 0.35 -1.37 -0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1dql n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dql s ALA 92 N 3.95 -2.34 -0.20 2.41 0.00 -0.22 -4.43 121.76 120.94 1dql s ALA 92 Ca 0.98 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 53.69 1dql s ALA 92 Cb -0.99 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1dql s ALA 92 CO 0.62 -1.02 0.30 0.08 0.00 0.00 0.00 175.76 175.74 1dql s VAL 93 N -2.25 5.28 -0.14 0.00 1.01 -1.10 -0.66 120.40 122.53 1dql s VAL 93 Ca 0.14 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 1dql s VAL 93 Cb 0.06 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1dql s VAL 93 CO -0.05 0.32 0.11 -0.36 0.00 0.00 0.00 175.10 175.13 1dql s PHE 94 N 0.94 3.48 0.03 5.22 0.40 0.46 -1.95 117.98 126.56 1dql s PHE 94 Ca 0.15 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.97 1dql s PHE 94 Cb -0.14 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 1dql s PHE 94 CO 0.05 0.56 -0.23 0.71 0.70 0.00 0.00 175.22 177.02 1dql s TYR 95 N -0.60 1.98 -0.10 0.36 2.02 0.88 -2.43 117.35 119.46 1dql s TYR 95 Ca 0.12 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1dql s TYR 95 Cb -0.12 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 1dql s TYR 95 CO 0.02 0.08 -0.01 0.00 -1.57 0.00 0.00 175.55 174.07 1dql s ALA 97 N -0.62 1.38 0.21 0.00 0.00 -0.89 -1.96 121.76 119.89 1dql s ALA 97 Ca 0.10 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1dql s ALA 97 Cb -0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 1dql s ALA 97 CO 0.02 0.25 1.21 0.50 0.00 0.00 0.00 175.76 177.74 1dql s ARG 98 N -1.55 4.48 0.00 0.00 3.52 -0.10 -1.87 118.95 123.44 1dql s ARG 98 Ca 0.02 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 1dql s ARG 98 Cb -0.09 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1dql s ARG 98 CO 0.02 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 1dql n GLY 99 N 1.98 1.14 3.93 8.12 0.00 0.47 -0.97 105.19 119.86 1dql n GLY 99 Ca 0.04 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 1dql n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dql s ASN 100 N -1.00 6.38 0.68 1.61 4.22 -1.02 -3.98 114.94 121.83 1dql s ASN 100 Ca 0.00 0.38 -0.04 0.00 -2.14 0.00 0.00 52.86 51.06 1dql s ASN 100 Cb 0.00 -2.00 0.07 0.00 1.28 0.00 0.00 41.25 40.60 1dql s ASN 100 CO 0.00 -0.03 0.96 -2.16 -2.04 0.00 0.00 177.10 173.83 1dql s PRO 101 N -3.29 2.12 0.60 3.55 0.04 -1.26 -2.22 135.00 134.54 1dql s PRO 101 Ca 0.38 -0.56 -0.20 0.00 0.04 0.00 0.00 61.00 60.66 1dql s PRO 101 Cb -0.11 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1dql s PRO 101 CO 0.29 -1.19 1.31 -2.14 0.04 0.00 0.00 177.00 175.31 1dql s PRO 102 N -5.12 2.83 -1.00 0.56 0.02 -1.22 -3.79 135.00 127.28 1dql s PRO 102 Ca 0.61 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 63.70 1dql s PRO 102 Cb -0.09 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1dql s PRO 102 CO 0.43 -1.39 0.85 0.66 -0.33 0.00 0.00 177.00 177.22 1dql n TYR 103 N -1.53 -2.07 -3.49 6.54 4.01 -1.26 -5.04 117.16 114.32 1dql n TYR 103 Ca 0.13 0.80 -0.10 0.00 -0.16 0.00 0.00 57.90 58.58 1dql n TYR 103 Cb 0.47 -4.34 -0.02 0.00 -0.31 0.00 0.00 39.34 35.14 1dql n TYR 103 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1dql s SER 104 N -3.77 -0.42 -0.18 7.72 1.04 -1.25 -5.13 113.70 111.71 1dql s SER 104 Ca 0.21 0.07 -0.42 0.00 0.48 0.00 0.00 55.95 56.29 1dql s SER 104 Cb -0.03 0.43 -0.19 0.00 0.10 0.00 0.00 66.02 66.33 1dql s SER 104 CO 0.65 -0.66 1.36 -0.24 0.98 0.00 0.00 173.24 175.33 1dql n SER 105 N -0.13 0.90 0.02 7.02 2.88 -1.26 -4.78 113.62 118.27 1dql n SER 105 Ca -0.11 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.60 1dql n SER 105 Cb 0.62 -0.97 0.08 0.00 -0.75 0.00 0.00 64.21 63.18 1dql n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dql n GLY 106 N 2.75 -0.52 0.92 0.46 0.00 -1.26 -0.32 105.19 107.22 1dql n GLY 106 Ca 0.24 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1dql n GLY 106 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dql n TRP 107 N -1.57 0.56 -1.79 1.61 7.02 -1.26 -4.74 117.44 117.27 1dql n TRP 107 Ca -0.00 -0.40 -0.29 0.00 -1.02 0.00 0.00 57.50 55.79 1dql n TRP 107 Cb 0.04 -0.01 0.15 0.00 -2.42 0.00 0.00 31.31 29.06 1dql n TRP 107 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1dql s GLY 108 N -1.09 1.66 0.00 6.99 0.00 0.57 -4.92 107.32 110.53 1dql s GLY 108 Ca 0.32 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1dql s GLY 108 CO 0.24 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1dql n GLY 109 N -3.12 0.47 1.68 0.20 0.00 -1.26 -2.44 105.19 100.74 1dql n GLY 109 Ca 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1dql n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dql n GLY 110 N 0.00 0.62 0.09 -0.02 0.00 -0.15 -4.99 105.19 100.75 1dql n GLY 110 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1dql n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dql n ASP 111 N 1.68 0.68 -4.24 1.61 5.68 -1.26 -4.94 116.55 115.78 1dql n ASP 111 Ca 0.00 0.21 -0.30 0.00 -0.50 0.00 0.00 54.79 54.20 1dql n ASP 111 Cb 0.41 0.27 -0.16 0.00 -1.14 0.00 0.00 41.12 40.49 1dql n ASP 111 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1dql s TYR 112 N -2.55 2.31 0.21 2.11 1.51 -1.26 -5.01 117.35 114.66 1dql s TYR 112 Ca -0.09 -0.71 0.06 0.00 -1.01 0.00 0.00 57.07 55.31 1dql s TYR 112 Cb 0.07 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.35 1dql s TYR 112 CO 0.81 -0.23 -0.10 -1.58 -1.11 0.00 0.00 175.55 173.34 1dql s TRP 113 N -0.07 1.61 0.13 2.71 0.52 -1.26 -0.93 118.94 121.66 1dql s TRP 113 Ca -0.05 -0.69 -0.01 0.00 0.02 0.00 0.00 56.10 55.36 1dql s TRP 113 Cb -0.14 -0.82 0.03 0.00 -1.15 0.00 0.00 33.47 31.39 1dql s TRP 113 CO 0.04 0.21 0.18 0.41 0.02 0.00 0.00 176.95 177.81 1dql n GLY 114 N -0.37 0.24 0.11 0.98 0.00 -0.83 -4.60 105.19 100.72 1dql n GLY 114 Ca -0.08 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.08 1dql n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1dql h GLN 115 N 0.00 0.00 0.00 1.61 -0.00 -1.93 -3.46 115.11 111.33 1dql h GLN 115 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1dql h GLN 115 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 1dql h GLN 115 CO 0.06 0.27 0.00 0.41 -0.00 0.00 0.00 178.83 179.57 1dql n GLY 116 N 1.32 -0.16 3.26 0.06 0.00 -1.26 -5.02 105.19 103.39 1dql n GLY 116 Ca -0.05 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1dql n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dql s THR 117 N -2.96 1.77 -0.15 2.61 -4.23 -1.02 -4.86 115.64 106.79 1dql s THR 117 Ca 0.00 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 59.29 1dql s THR 117 Cb 0.00 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 1dql s THR 117 CO 0.00 0.30 -0.00 0.00 -0.54 0.00 0.00 174.62 174.38 1dql s MET 118 N -1.03 3.69 -0.21 3.99 0.23 -1.26 -0.41 119.30 124.30 1dql s MET 118 Ca 0.08 -0.45 -0.07 0.00 -1.03 0.00 0.00 55.69 54.22 1dql s MET 118 Cb -0.09 -2.99 -0.04 0.00 -1.53 0.00 0.00 34.83 30.18 1dql s MET 118 CO 0.01 0.31 0.06 0.14 -2.03 0.00 0.00 175.02 173.51 1dql s VAL 119 N 0.21 4.52 -0.31 5.16 -7.23 0.16 -2.52 120.40 120.39 1dql s VAL 119 Ca 0.00 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1dql s VAL 119 Cb -0.13 -3.06 0.09 0.00 0.56 0.00 0.00 36.38 33.84 1dql s VAL 119 CO 0.02 0.41 0.03 0.28 -0.31 0.00 0.00 175.10 175.53 1dql s THR 120 N 0.87 1.84 -0.52 5.32 -1.32 -0.85 -1.05 115.64 119.93 1dql s THR 120 Ca 0.03 -1.89 -0.22 0.00 -1.21 0.00 0.00 61.69 58.40 1dql s THR 120 Cb -0.14 -2.28 0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1dql s THR 120 CO 0.02 -0.48 0.81 0.54 -2.21 0.00 0.00 174.62 173.30 1dql s VAL 121 N 1.16 4.59 0.28 5.08 0.11 -1.26 -2.82 120.40 127.53 1dql s VAL 121 Ca 0.06 0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.03 1dql s VAL 121 Cb -0.19 -4.42 0.01 0.00 -1.53 0.00 0.00 36.38 30.26 1dql s VAL 121 CO -0.11 -0.94 0.62 -0.94 -3.33 0.00 0.00 175.10 170.40 1dql s SER 122 N 2.64 -0.11 0.00 3.54 1.04 -0.13 -4.59 113.70 116.10 1dql s SER 122 Ca 0.26 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1dql s SER 122 Cb -0.14 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1dql s SER 122 CO 0.18 -1.30 0.54 -0.24 0.98 0.00 0.00 173.24 173.40