#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dql h PRO -1 N 0.00 0.00 0.17 -0.67 0.13 -2.07 0.17 132.00 129.74 3dql h PRO -1 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3dql h PRO -1 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3dql h PRO -1 CO 0.00 0.00 -0.08 1.98 -0.23 0.00 0.00 178.00 179.67 3dql h MET 0 N 0.00 -0.22 -0.80 0.86 1.85 -2.03 -2.88 114.93 111.71 3dql h MET 0 Ca 0.00 0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.21 3dql h MET 0 Cb 0.06 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.09 3dql h MET 0 CO 0.00 0.20 0.52 0.28 -0.40 0.00 0.00 176.91 177.51 3dql h VAL 1 N -0.76 0.91 -0.32 -5.77 2.07 -1.65 -2.79 116.25 107.93 3dql h VAL 1 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3dql h VAL 1 Cb 0.52 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3dql h VAL 1 CO 0.04 0.12 0.20 -1.28 0.02 0.00 0.00 177.57 176.68 3dql h SER 2 N 0.68 0.38 -0.44 0.57 0.87 -1.02 -1.33 113.55 113.26 3dql h SER 2 Ca 0.38 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3dql h SER 2 Cb 0.54 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3dql h SER 2 CO -0.15 0.30 0.28 0.50 -0.53 0.00 0.00 176.83 177.24 3dql h LYS 3 N 0.43 0.59 -0.07 2.24 3.64 -1.26 0.87 116.57 123.00 3dql h LYS 3 Ca 0.12 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3dql h LYS 3 Cb -0.02 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3dql h LYS 3 CO -0.02 0.40 -0.48 0.78 -2.27 0.00 0.00 179.45 177.85 3dql h GLY 4 N 0.62 0.49 0.56 5.01 0.00 -1.58 -3.09 103.07 105.08 3dql h GLY 4 Ca 0.16 -0.73 0.09 0.00 0.00 0.00 0.00 47.33 46.85 3dql h GLY 4 CO -0.03 0.65 0.48 0.83 0.00 0.00 0.00 176.54 178.47 3dql h GLU 5 N -0.01 0.80 0.00 4.80 5.08 -0.56 -2.15 114.58 122.53 3dql h GLU 5 Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3dql h GLU 5 Cb 1.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3dql h GLU 5 CO 0.10 0.53 0.00 0.93 -1.00 0.00 0.00 179.01 179.57 3dql h GLU 6 N 0.83 0.00 0.00 2.33 5.08 -0.85 -2.85 114.58 119.12 3dql h GLU 6 Ca 0.39 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.50 3dql h GLU 6 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3dql h GLU 6 CO -0.23 0.00 -1.55 -0.07 -1.00 0.00 0.00 179.01 176.15 3dql h LEU 7 N 0.00 0.00 -2.96 1.33 3.38 -1.32 -3.41 115.31 112.33 3dql h LEU 7 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dql h LEU 7 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3dql h LEU 7 CO 0.00 0.90 0.00 0.49 0.09 0.00 0.00 178.44 179.92 3dql n PHE 8 N -3.04 0.35 0.09 1.13 3.01 -1.03 -4.82 117.46 113.14 3dql n PHE 8 Ca -0.13 -0.56 -0.04 0.00 1.01 0.00 0.00 57.45 57.72 3dql n PHE 8 Cb 0.99 -0.07 0.15 0.00 -0.01 0.00 0.00 39.48 40.55 3dql n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dql h THR 9 N 1.29 1.36 -0.71 4.37 1.35 -1.75 -3.36 112.91 115.46 3dql h THR 9 Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3dql h THR 9 Cb 0.75 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3dql h THR 9 CO 0.02 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 3dql n GLY 10 N 0.12 3.43 3.68 5.82 0.00 -1.26 -4.72 105.19 112.26 3dql n GLY 10 Ca -0.02 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3dql n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dql s VAL 11 N 3.10 5.09 -0.22 1.61 1.01 -1.26 -4.44 120.40 125.29 3dql s VAL 11 Ca 0.00 1.07 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 3dql s VAL 11 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3dql s VAL 11 CO 0.00 0.19 -0.01 -0.69 0.00 0.00 0.00 175.10 174.59 3dql s VAL 12 N 1.48 3.76 0.56 2.92 1.01 0.04 -4.97 120.40 125.20 3dql s VAL 12 Ca 0.27 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 3dql s VAL 12 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3dql s VAL 12 CO 0.11 0.41 1.31 -2.16 0.00 0.00 0.00 175.10 174.77 3dql s PRO 13 N 1.33 3.07 0.03 2.72 0.04 -1.26 -0.75 135.00 140.19 3dql s PRO 13 Ca 0.04 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.25 3dql s PRO 13 Cb -0.15 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3dql s PRO 13 CO 0.00 -1.21 -0.14 0.42 0.04 0.00 0.00 177.00 176.11 3dql s ILE 14 N -1.37 1.10 -0.04 0.56 1.01 0.59 -1.20 121.20 121.86 3dql s ILE 14 Ca 0.74 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.47 3dql s ILE 14 Cb -0.38 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 3dql s ILE 14 CO 0.44 0.03 -0.14 -0.22 0.00 0.00 0.00 174.94 175.05 3dql s LEU 15 N -1.06 1.86 -0.03 2.97 2.96 -0.72 -2.08 118.68 122.58 3dql s LEU 15 Ca 0.02 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3dql s LEU 15 Cb -0.08 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 3dql s LEU 15 CO 0.01 0.12 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.32 3dql s VAL 16 N 0.11 1.19 -0.05 1.68 1.01 -0.02 -1.14 120.40 123.19 3dql s VAL 16 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3dql s VAL 16 Cb -0.10 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3dql s VAL 16 CO 0.01 0.35 -0.03 -1.61 0.00 0.00 0.00 175.10 173.83 3dql s GLU 17 N -0.03 0.68 -0.08 2.72 0.41 -0.61 -0.52 118.70 121.27 3dql s GLU 17 Ca -0.01 -0.03 0.02 0.00 -0.41 0.00 0.00 54.97 54.54 3dql s GLU 17 Cb -0.09 -0.79 0.02 0.00 -1.78 0.00 0.00 34.13 31.49 3dql s GLU 17 CO 0.01 -0.13 -0.12 -1.17 -0.49 0.00 0.00 175.26 173.36 3dql s LEU 18 N 1.13 1.57 -0.23 1.80 0.20 0.11 -0.59 118.68 122.68 3dql s LEU 18 Ca -0.08 -0.31 -0.06 0.00 0.69 0.00 0.00 54.13 54.37 3dql s LEU 18 Cb -0.14 -0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.75 3dql s LEU 18 CO -0.01 0.01 0.03 -1.81 -0.29 0.00 0.00 176.35 174.27 3dql s ASP 19 N 0.87 4.90 0.04 3.68 1.01 -0.44 -1.00 116.67 125.73 3dql s ASP 19 Ca -0.11 -0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.01 3dql s ASP 19 Cb -0.15 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3dql s ASP 19 CO 0.01 0.01 -0.24 -0.83 0.21 0.00 0.00 175.17 174.33 3dql s GLY 20 N 1.35 1.27 -0.24 0.21 0.00 0.20 -0.81 107.32 109.29 3dql s GLY 20 Ca 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 3dql s GLY 20 CO 0.02 -1.07 0.27 -0.35 0.00 0.00 0.00 173.10 171.97 3dql s ASP 21 N -1.20 1.24 -0.26 1.64 -1.08 -0.68 -1.25 116.67 115.07 3dql s ASP 21 Ca 0.10 -0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 51.82 3dql s ASP 21 Cb -0.09 0.57 0.03 0.00 -1.46 0.00 0.00 42.92 41.96 3dql s ASP 21 CO 0.02 -0.34 -0.04 -0.69 0.52 0.00 0.00 175.17 174.64 3dql s VAL 22 N 2.38 2.93 -1.55 1.11 1.01 -0.50 -0.66 120.40 125.12 3dql s VAL 22 Ca 0.09 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 3dql s VAL 22 Cb -0.15 -2.54 0.11 0.00 0.00 0.00 0.00 36.38 33.79 3dql s VAL 22 CO -0.19 0.11 0.84 0.59 0.00 0.00 0.00 175.10 176.45 3dql n ASN 23 N 4.66 -4.23 0.00 3.32 4.13 -0.29 -1.23 115.26 121.62 3dql n ASN 23 Ca -0.15 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.33 3dql n ASN 23 Cb 0.46 -3.41 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 3dql n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dql n GLY 24 N -1.51 0.18 3.54 7.41 0.00 -1.26 -4.98 105.19 108.57 3dql n GLY 24 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3dql n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dql s HIS 25 N -1.39 2.70 0.30 1.61 3.76 -0.37 -5.03 115.29 116.88 3dql s HIS 25 Ca 0.00 0.12 -0.21 0.00 -0.15 0.00 0.00 55.06 54.82 3dql s HIS 25 Cb 0.00 -4.26 -0.09 0.00 1.11 0.00 0.00 32.58 29.34 3dql s HIS 25 CO 0.00 -1.47 0.83 0.15 -0.85 0.00 0.00 174.74 173.40 3dql s LYS 26 N 4.39 4.32 0.03 1.40 1.02 -1.26 -1.41 119.74 128.23 3dql s LYS 26 Ca 0.35 1.03 -0.27 0.00 0.02 0.00 0.00 55.97 57.09 3dql s LYS 26 Cb -0.11 -2.67 0.09 0.00 -0.52 0.00 0.00 37.83 34.63 3dql s LYS 26 CO 0.21 0.25 0.82 -0.59 -0.92 0.00 0.00 175.35 175.12 3dql s PHE 27 N -1.73 -0.39 0.00 3.18 -0.71 -0.38 -4.93 117.98 113.01 3dql s PHE 27 Ca 0.50 0.25 0.03 0.00 -1.04 0.00 0.00 56.93 56.67 3dql s PHE 27 Cb -0.15 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 3dql s PHE 27 CO 0.20 -0.62 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.25 3dql s SER 28 N -2.52 1.10 -0.03 1.98 0.01 -1.26 0.58 113.70 113.56 3dql s SER 28 Ca 0.04 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.10 3dql s SER 28 Cb -0.01 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.12 3dql s SER 28 CO -0.10 0.09 -0.07 -0.69 0.41 0.00 0.00 173.24 172.88 3dql s VAL 29 N -0.34 0.66 -0.09 3.43 1.01 -0.17 -2.12 120.40 122.78 3dql s VAL 29 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 3dql s VAL 29 Cb -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3dql s VAL 29 CO -0.00 0.22 -0.05 -0.44 0.00 0.00 0.00 175.10 174.83 3dql s SER 30 N 0.38 4.81 0.07 3.32 0.01 -0.73 0.03 113.70 121.59 3dql s SER 30 Ca -0.05 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.26 3dql s SER 30 Cb -0.10 -1.34 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 3dql s SER 30 CO 0.00 0.34 -0.14 -0.83 0.41 0.00 0.00 173.24 173.02 3dql s GLY 31 N -0.65 0.84 0.02 3.44 0.00 0.33 -0.53 107.32 110.76 3dql s GLY 31 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3dql s GLY 31 CO 0.02 -1.01 -0.04 -0.54 0.00 0.00 0.00 173.10 171.53 3dql s GLU 32 N -1.72 0.36 0.00 2.90 2.02 -0.50 -0.84 118.70 120.91 3dql s GLU 32 Ca -0.03 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3dql s GLU 32 Cb -0.10 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.13 3dql s GLU 32 CO 0.02 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.69 3dql n GLY 33 N 1.63 -0.62 3.35 -1.39 0.00 -0.88 -0.30 105.19 106.98 3dql n GLY 33 Ca -0.23 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 3dql n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dql s GLU 34 N -1.02 0.89 0.17 1.61 -1.05 0.26 -0.30 118.70 119.27 3dql s GLU 34 Ca 0.00 -0.16 0.09 0.00 -0.15 0.00 0.00 54.97 54.75 3dql s GLU 34 Cb 0.00 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.05 3dql s GLU 34 CO 0.00 -0.28 -0.20 0.20 0.95 0.00 0.00 175.26 175.93 3dql s GLY 35 N -1.61 1.47 -0.37 -3.83 0.00 0.07 -1.40 107.32 101.64 3dql s GLY 35 Ca -0.09 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.12 3dql s GLY 35 CO 0.02 -1.56 0.25 -0.35 0.00 0.00 0.00 173.10 171.46 3dql s ASP 36 N -2.64 2.59 0.58 1.64 -1.08 -0.06 -0.78 116.67 116.93 3dql s ASP 36 Ca 0.17 -2.44 0.36 0.00 -0.52 0.00 0.00 52.55 50.11 3dql s ASP 36 Cb -0.06 -0.44 1.73 0.00 -1.46 0.00 0.00 42.92 42.68 3dql s ASP 36 CO 0.07 -0.27 2.13 0.00 0.52 0.00 0.00 175.17 177.62 3dql h ALA 37 N 6.63 1.07 -0.99 3.66 0.00 -1.75 -1.13 119.26 126.75 3dql h ALA 37 Ca 0.11 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3dql h ALA 37 Cb 0.95 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3dql h ALA 37 CO 0.30 0.05 0.61 1.15 0.00 0.00 0.00 179.25 181.36 3dql h THR 38 N 0.00 0.85 -0.37 0.00 2.02 -1.85 -2.18 112.91 111.37 3dql h THR 38 Ca -0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3dql h THR 38 Cb 0.31 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3dql h THR 38 CO 0.00 0.17 0.00 -1.22 0.37 0.00 0.00 175.52 174.84 3dql n TYR 39 N -4.68 0.48 -2.08 3.16 4.01 -0.74 -4.93 117.16 112.39 3dql n TYR 39 Ca 0.20 -0.24 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 3dql n TYR 39 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.41 3dql n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dql n GLY 40 N 1.47 0.51 3.60 2.72 0.00 -0.82 -4.71 105.19 107.96 3dql n GLY 40 Ca 0.19 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3dql n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dql s LYS 41 N -4.53 3.92 -0.02 1.61 2.20 -0.51 -0.70 119.74 121.71 3dql s LYS 41 Ca 0.00 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.29 3dql s LYS 41 Cb 0.00 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3dql s LYS 41 CO 0.00 0.19 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.49 3dql s LEU 42 N 0.61 1.99 -0.13 5.43 1.02 0.43 -0.88 118.68 127.15 3dql s LEU 42 Ca 0.03 -0.32 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 3dql s LEU 42 Cb -0.13 -0.91 0.03 0.00 0.02 0.00 0.00 46.19 45.20 3dql s LEU 42 CO 0.01 0.19 -0.08 -0.89 0.02 0.00 0.00 176.35 175.61 3dql s THR 43 N -0.27 1.14 0.02 5.49 2.01 -0.49 -1.25 115.64 122.29 3dql s THR 43 Ca 0.04 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3dql s THR 43 Cb -0.08 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 3dql s THR 43 CO 0.00 0.32 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.44 3dql s LEU 44 N 1.65 2.19 -0.08 4.42 1.43 -0.33 -0.57 118.68 127.39 3dql s LEU 44 Ca 0.04 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3dql s LEU 44 Cb -0.13 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.05 3dql s LEU 44 CO -0.08 -0.19 -0.15 -0.75 0.23 0.00 0.00 176.35 175.41 3dql s LYS 45 N -1.16 2.03 -0.02 1.70 2.20 0.59 -0.66 119.74 124.42 3dql s LYS 45 Ca -0.10 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 3dql s LYS 45 Cb -0.08 -1.67 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 3dql s LYS 45 CO -0.00 0.02 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.84 3dql s PHE 46 N 0.73 2.78 -0.08 4.03 0.08 0.10 -1.41 117.98 124.22 3dql s PHE 46 Ca -0.13 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.84 3dql s PHE 46 Cb -0.16 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3dql s PHE 46 CO 0.03 0.29 -0.12 0.42 -0.10 0.00 0.00 175.22 175.74 3dql s ILE 47 N -0.86 1.16 -0.42 0.64 1.01 0.30 -1.07 121.20 121.96 3dql s ILE 47 Ca 0.14 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3dql s ILE 47 Cb -0.11 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.30 3dql s ILE 47 CO 0.04 0.37 1.35 0.00 0.00 0.00 0.00 174.94 176.69 3dql n THR 49 N 7.00 0.00 0.18 0.00 -2.24 -0.90 -3.72 114.28 114.59 3dql n THR 49 Ca 0.16 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 3dql n THR 49 Cb 0.48 0.31 0.21 0.00 -2.10 0.00 0.00 70.33 69.23 3dql n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dql n THR 50 N -0.62 0.58 0.00 4.28 -2.24 -1.25 -5.01 114.28 110.02 3dql n THR 50 Ca 0.13 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3dql n THR 50 Cb 0.33 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 3dql n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dql n GLY 51 N 1.33 0.40 3.74 3.38 0.00 -1.24 -5.00 105.19 107.79 3dql n GLY 51 Ca 0.18 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 3dql n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dql s LYS 52 N 0.00 4.71 -0.08 1.61 2.20 -1.26 -4.33 119.74 122.58 3dql s LYS 52 Ca 0.00 1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.84 3dql s LYS 52 Cb 0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3dql s LYS 52 CO 0.00 0.24 1.05 -1.17 -0.36 0.00 0.00 175.35 175.12 3dql s LEU 53 N -0.35 4.27 0.00 5.43 2.96 -1.26 -4.91 118.68 124.81 3dql s LEU 53 Ca 0.46 1.62 0.27 0.00 -0.22 0.00 0.00 54.13 56.26 3dql s LEU 53 Cb -0.25 -3.56 1.53 0.00 0.50 0.00 0.00 46.19 44.40 3dql s LEU 53 CO 0.32 -0.46 1.99 -0.81 -1.32 0.00 0.00 176.35 176.06 3dql n PRO 54 N 4.93 1.08 -4.37 0.98 -0.04 -1.26 -4.78 135.00 131.54 3dql n PRO 54 Ca 0.09 -0.11 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 3dql n PRO 54 Cb 0.48 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3dql n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dql s VAL 55 N -1.99 1.28 0.20 0.52 -7.23 -1.26 -4.58 120.40 107.34 3dql s VAL 55 Ca 0.40 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 3dql s VAL 55 Cb 0.19 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.67 3dql s VAL 55 CO 0.31 -0.33 1.28 -2.84 -0.31 0.00 0.00 175.10 173.21 3dql s PRO 56 N -3.80 4.41 0.30 4.82 0.02 -1.26 -4.92 135.00 134.58 3dql s PRO 56 Ca 0.28 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.39 3dql s PRO 56 Cb 0.05 -3.20 0.83 0.00 0.02 0.00 0.00 34.50 32.20 3dql s PRO 56 CO 0.10 -0.21 1.68 -1.49 -0.33 0.00 0.00 177.00 176.75 3dql h TRP 57 N 5.20 0.67 -0.01 6.54 4.06 -1.95 0.38 115.95 130.85 3dql h TRP 57 Ca -0.45 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.54 3dql h TRP 57 Cb 1.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3dql h TRP 57 CO 0.62 -0.11 0.00 -1.35 -3.56 0.00 0.00 178.44 174.04 3dql h PRO 58 N 0.35 0.00 0.00 0.49 0.11 -1.90 -1.49 132.00 129.56 3dql h PRO 58 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3dql h PRO 58 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dql h PRO 58 CO -0.58 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.00 3dql h THR 59 N 0.00 0.00 -0.00 -1.15 1.35 -1.29 -2.92 112.91 108.90 3dql h THR 59 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3dql h THR 59 Cb 0.01 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3dql h THR 59 CO -0.00 0.00 -0.73 0.18 -0.25 0.00 0.00 175.52 174.72 3dql n LEU 60 N -2.78 0.93 -0.02 3.87 4.77 -0.56 -4.67 117.00 118.54 3dql n LEU 60 Ca 0.01 -0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 3dql n LEU 60 Cb 0.26 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3dql n LEU 60 CO 0.24 0.22 0.90 0.58 -1.33 0.00 0.00 177.39 177.99 3dql h VAL 61 N 0.31 0.98 -0.90 4.08 2.07 -1.52 -0.19 116.25 121.08 3dql h VAL 61 Ca 0.00 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3dql h VAL 61 Cb 0.52 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3dql h VAL 61 CO 0.00 0.02 0.60 0.71 0.02 0.00 0.00 177.57 178.92 3dql h THR 62 N 0.13 1.23 -0.20 2.57 1.35 -1.83 -2.71 112.91 113.44 3dql h THR 62 Ca 0.06 -0.42 -0.06 0.00 -0.55 0.00 0.00 66.41 65.44 3dql h THR 62 Cb 0.02 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.34 3dql h THR 62 CO -0.05 0.22 -0.10 0.74 -0.25 0.00 0.00 175.52 176.08 3dql h THR 63 N 1.22 1.31 0.00 6.82 2.02 -1.70 -3.45 112.91 119.13 3dql h THR 63 Ca 0.33 -1.16 -0.29 0.00 0.77 0.00 0.00 66.41 66.06 3dql h THR 63 Cb -0.14 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3dql h THR 63 CO -0.07 0.35 2.22 0.49 0.37 0.00 0.00 175.52 178.88 3dql n PHE 64 N -4.55 1.03 0.00 3.16 3.72 -0.15 -5.07 117.46 115.60 3dql n PHE 64 Ca -0.05 -1.60 0.00 0.00 -0.05 0.00 0.00 57.45 55.75 3dql n PHE 64 Cb 0.33 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 37.46 3dql n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dql n LEU 68 N 4.42 0.00 0.07 4.37 4.77 -1.26 -5.06 117.00 124.31 3dql n LEU 68 Ca 0.34 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.42 3dql n LEU 68 Cb 0.10 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.62 3dql n LEU 68 CO 0.66 0.00 0.82 0.23 -1.33 0.00 0.00 177.39 177.77 3dql n MET 69 N 0.00 0.11 0.32 3.23 2.81 -1.26 -1.57 117.12 120.76 3dql n MET 69 Ca 0.00 0.29 0.20 0.00 -1.81 0.00 0.00 57.70 56.38 3dql n MET 69 Cb 0.00 -1.69 1.06 0.00 -0.71 0.00 0.00 33.22 31.88 3dql n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dql n PHE 71 N -3.13 0.09 -1.65 0.00 3.72 -0.61 -4.69 117.46 111.20 3dql n PHE 71 Ca -0.02 -0.05 -0.44 0.00 -0.05 0.00 0.00 57.45 56.89 3dql n PHE 71 Cb 0.18 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 3dql n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dql n ALA 72 N 0.24 0.63 -2.58 4.37 0.00 -0.91 -4.08 120.51 118.18 3dql n ALA 72 Ca 0.18 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 3dql n ALA 72 Cb 0.34 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 3dql n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dql s ARG 73 N -1.17 3.59 -0.24 0.00 3.52 0.71 -4.73 118.95 120.62 3dql s ARG 73 Ca 0.62 0.29 -0.21 0.00 -0.13 0.00 0.00 55.73 56.31 3dql s ARG 73 Cb -0.66 -3.93 -0.02 0.00 -1.56 0.00 0.00 34.95 28.78 3dql s ARG 73 CO 0.57 -1.33 0.64 0.71 -0.81 0.00 0.00 175.30 175.07 3dql s TYR 74 N 4.12 3.30 0.83 5.12 1.51 -1.26 -0.98 117.35 129.99 3dql s TYR 74 Ca 0.41 0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 57.20 3dql s TYR 74 Cb -0.09 -2.84 0.07 0.00 -0.11 0.00 0.00 41.96 38.98 3dql s TYR 74 CO 0.28 -0.30 0.97 -2.30 -1.11 0.00 0.00 175.55 173.09 3dql n PRO 75 N 5.60 0.05 -0.22 -1.71 -0.02 -1.26 -4.72 135.00 132.72 3dql n PRO 75 Ca -0.00 0.09 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 3dql n PRO 75 Cb 0.49 -2.25 0.13 0.00 -0.02 0.00 0.00 33.50 31.85 3dql n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dql h ASP 76 N -1.04 -0.13 0.18 2.55 3.58 -2.00 -0.39 116.42 119.16 3dql h ASP 76 Ca -0.45 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3dql h ASP 76 Cb 1.30 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.58 3dql h ASP 76 CO 0.43 -0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.72 3dql n HIS 77 N -5.22 0.60 0.12 0.28 1.44 -1.26 -2.65 115.22 108.53 3dql n HIS 77 Ca 0.11 0.29 0.04 0.00 -2.01 0.00 0.00 57.72 56.15 3dql n HIS 77 Cb 0.39 -0.97 0.07 0.00 0.12 0.00 0.00 29.99 29.60 3dql n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dql n MET 78 N -2.10 1.43 -0.20 -1.40 2.81 -0.17 -4.73 117.12 112.76 3dql n MET 78 Ca -0.00 -1.42 0.26 0.00 -1.81 0.00 0.00 57.70 54.73 3dql n MET 78 Cb 0.08 -1.18 0.67 0.00 -0.71 0.00 0.00 33.22 32.08 3dql n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dql h LYS 79 N 1.57 0.10 0.00 0.03 1.79 -1.30 -0.11 116.57 118.65 3dql h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dql h LYS 79 Cb 0.50 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3dql h LYS 79 CO 0.00 0.07 0.00 1.04 -1.08 0.00 0.00 179.45 179.48 3dql n GLN 80 N -4.34 0.09 -0.26 3.15 6.02 -1.26 -2.94 117.38 117.85 3dql n GLN 80 Ca 0.19 0.22 0.06 0.00 -0.01 0.00 0.00 57.00 57.46 3dql n GLN 80 Cb 0.90 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.85 3dql n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dql n HIS 81 N -1.39 0.61 -3.07 1.08 8.25 -0.06 -4.62 115.22 116.02 3dql n HIS 81 Ca 0.05 -0.63 -0.45 0.00 -0.26 0.00 0.00 57.72 56.43 3dql n HIS 81 Cb 0.13 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3dql n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dql s ASP 82 N -1.32 6.82 0.24 0.41 -1.08 -1.15 -4.50 116.67 116.09 3dql s ASP 82 Ca 0.29 -2.54 -0.05 0.00 -0.52 0.00 0.00 52.55 49.73 3dql s ASP 82 Cb 0.19 -2.33 0.26 0.00 -1.46 0.00 0.00 42.92 39.58 3dql s ASP 82 CO 0.13 -0.81 1.83 0.15 0.52 0.00 0.00 175.17 177.00 3dql h PHE 83 N 8.04 1.13 -0.24 -5.34 3.57 -1.90 -2.88 116.94 119.32 3dql h PHE 83 Ca 0.18 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3dql h PHE 83 Cb 0.98 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3dql h PHE 83 CO 1.08 0.83 0.03 0.74 -2.23 0.00 0.00 178.31 178.76 3dql h PHE 84 N 1.11 0.43 -0.15 0.41 0.04 -1.88 -1.54 116.94 115.35 3dql h PHE 84 Ca 0.26 -0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.87 3dql h PHE 84 Cb 0.14 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3dql h PHE 84 CO 0.01 0.53 -0.37 0.87 -0.60 0.00 0.00 178.31 178.76 3dql h LYS 85 N 0.20 0.32 -0.08 1.51 1.57 -1.84 -3.24 116.57 115.01 3dql h LYS 85 Ca 0.07 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 3dql h LYS 85 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3dql h LYS 85 CO 0.01 0.65 -0.24 0.66 -0.57 0.00 0.00 179.45 179.95 3dql h SER 86 N 0.27 0.14 0.81 0.86 4.64 -1.08 -1.76 113.55 117.44 3dql h SER 86 Ca 0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dql h SER 86 Cb 0.79 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3dql h SER 86 CO 0.06 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 3dql h ALA 87 N 1.62 1.00 -2.35 5.18 0.00 -1.38 -3.45 119.26 119.88 3dql h ALA 87 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.43 3dql h ALA 87 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.36 3dql h ALA 87 CO 0.04 0.00 0.33 -1.64 0.00 0.00 0.00 179.25 177.97 3dql s MET 88 N -3.42 3.46 0.00 0.00 1.00 -0.66 -0.57 119.30 119.11 3dql s MET 88 Ca 0.03 0.54 0.27 0.00 0.00 0.00 0.00 55.69 56.53 3dql s MET 88 Cb 0.09 -2.16 1.22 0.00 0.00 0.00 0.00 34.83 33.99 3dql s MET 88 CO 0.44 -0.54 1.88 -0.35 0.00 0.00 0.00 175.02 176.45 3dql n PRO 89 N -2.65 0.14 0.09 2.03 -0.04 -1.26 -4.84 135.00 128.47 3dql n PRO 89 Ca 0.05 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 3dql n PRO 89 Cb 0.55 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.96 3dql n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dql h GLU 90 N 0.00 0.33 0.00 0.54 3.07 -1.90 -3.00 114.58 113.62 3dql h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3dql h GLU 90 Cb 0.38 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3dql h GLU 90 CO 0.00 0.30 0.00 0.41 -1.40 0.00 0.00 179.01 178.32 3dql n GLY 91 N -1.25 -2.34 3.13 -3.84 0.00 0.26 -4.65 105.19 96.51 3dql n GLY 91 Ca 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3dql n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dql s TYR 92 N -0.30 0.73 -0.12 1.61 -0.85 0.31 -0.85 117.35 117.88 3dql s TYR 92 Ca 0.00 -1.10 -0.17 0.00 -0.52 0.00 0.00 57.07 55.29 3dql s TYR 92 Cb 0.00 -0.46 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 3dql s TYR 92 CO 0.00 -0.38 0.42 0.08 -1.52 0.00 0.00 175.55 174.15 3dql s VAL 93 N -3.90 5.20 -0.27 -3.49 1.01 0.50 -0.78 120.40 118.67 3dql s VAL 93 Ca 0.14 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.96 3dql s VAL 93 Cb 0.07 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.76 3dql s VAL 93 CO -0.05 0.38 -0.07 -1.58 0.00 0.00 0.00 175.10 173.78 3dql s GLN 94 N 0.37 2.32 -0.06 2.72 0.74 0.51 -1.78 119.66 124.47 3dql s GLN 94 Ca 0.23 -1.31 0.02 0.00 0.05 0.00 0.00 55.36 54.35 3dql s GLN 94 Cb -0.15 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 3dql s GLN 94 CO 0.09 -0.58 -0.12 -1.21 -0.55 0.00 0.00 175.29 172.92 3dql s GLU 95 N 1.16 2.68 0.05 1.67 2.02 -0.22 -0.45 118.70 125.61 3dql s GLU 95 Ca -0.07 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3dql s GLU 95 Cb -0.20 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 3dql s GLU 95 CO -0.04 0.59 -0.08 1.03 0.02 0.00 0.00 175.26 176.79 3dql s ARG 96 N -0.64 0.58 -0.13 1.61 0.52 -0.51 -1.18 118.95 119.20 3dql s ARG 96 Ca 0.09 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3dql s ARG 96 Cb -0.11 -0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.08 3dql s ARG 96 CO 0.01 0.04 -0.21 0.99 0.02 0.00 0.00 175.30 176.16 3dql s THR 97 N -1.70 1.92 -0.19 0.02 2.01 -0.37 -0.93 115.64 116.41 3dql s THR 97 Ca -0.07 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 3dql s THR 97 Cb -0.08 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.74 3dql s THR 97 CO -0.00 0.52 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 3dql s ILE 98 N 0.80 2.46 -0.34 1.82 1.01 -0.18 -0.61 121.20 126.17 3dql s ILE 98 Ca -0.08 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 3dql s ILE 98 Cb -0.16 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3dql s ILE 98 CO -0.01 0.51 0.21 -0.36 0.00 0.00 0.00 174.94 175.29 3dql s PHE 99 N 1.29 3.21 -0.35 3.97 0.08 0.66 -1.00 117.98 125.84 3dql s PHE 99 Ca 0.04 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.42 3dql s PHE 99 Cb -0.14 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 3dql s PHE 99 CO -0.09 -0.43 0.87 -0.06 -0.10 0.00 0.00 175.22 175.41 3dql s PHE 100 N 1.67 3.12 0.04 0.36 0.40 -0.09 -1.13 117.98 122.35 3dql s PHE 100 Ca 0.05 0.76 -0.37 0.00 -0.60 0.00 0.00 56.93 56.77 3dql s PHE 100 Cb -0.18 -3.50 -0.17 0.00 0.51 0.00 0.00 43.02 39.69 3dql s PHE 100 CO 0.09 -0.75 1.39 1.17 0.70 0.00 0.00 175.22 177.82 3dql n LYS 101 N 6.58 1.16 -1.63 0.44 3.00 -0.50 -0.92 118.16 126.29 3dql n LYS 101 Ca 0.06 0.42 -0.18 0.00 -0.00 0.00 0.00 58.31 58.61 3dql n LYS 101 Cb 0.48 -2.07 -0.07 0.00 0.00 0.00 0.00 35.03 33.37 3dql n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dql n ASP 102 N 2.89 -5.17 -0.02 3.14 8.00 -1.26 -4.82 116.55 119.31 3dql n ASP 102 Ca 0.19 0.38 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3dql n ASP 102 Cb 0.18 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 3dql n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dql n ASP 103 N -0.97 0.00 -2.87 -2.24 -0.08 -0.10 -4.95 116.55 105.36 3dql n ASP 103 Ca -0.18 -0.02 -0.12 0.00 -1.51 0.00 0.00 54.79 52.96 3dql n ASP 103 Cb 0.60 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.15 3dql n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dql n GLY 104 N 0.00 -1.96 3.10 0.27 0.00 -1.17 -4.54 105.19 100.90 3dql n GLY 104 Ca 0.00 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 3dql n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dql s ASN 105 N -2.87 1.10 -0.12 1.61 2.20 -0.48 -0.92 114.94 115.47 3dql s ASN 105 Ca 0.30 -0.62 -0.05 0.00 -0.94 0.00 0.00 52.86 51.55 3dql s ASN 105 Cb -0.02 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.21 3dql s ASN 105 CO 0.22 -0.20 0.08 -0.31 -2.94 0.00 0.00 177.10 173.95 3dql s TYR 106 N -1.63 3.40 -0.13 1.54 2.02 -0.17 -1.56 117.35 120.81 3dql s TYR 106 Ca -0.05 0.35 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 3dql s TYR 106 Cb -0.08 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3dql s TYR 106 CO 0.00 0.56 -0.22 0.15 -1.57 0.00 0.00 175.55 174.48 3dql s LYS 107 N -0.76 2.98 0.02 -0.62 1.02 0.12 -1.01 119.74 121.48 3dql s LYS 107 Ca 0.13 -0.84 0.09 0.00 0.02 0.00 0.00 55.97 55.36 3dql s LYS 107 Cb -0.12 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 3dql s LYS 107 CO 0.03 0.01 -0.26 0.95 -0.92 0.00 0.00 175.35 175.15 3dql s THR 108 N 0.77 2.09 -0.08 2.17 -4.23 -0.11 -0.64 115.64 115.60 3dql s THR 108 Ca -0.08 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3dql s THR 108 Cb -0.16 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.94 3dql s THR 108 CO -0.01 0.46 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.85 3dql s ARG 109 N -0.95 1.44 0.07 3.99 3.52 -0.75 -1.42 118.95 124.85 3dql s ARG 109 Ca 0.11 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.48 3dql s ARG 109 Cb -0.10 -1.38 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 3dql s ARG 109 CO 0.01 -0.14 -0.11 0.00 -0.81 0.00 0.00 175.30 174.25 3dql s ALA 110 N 1.23 0.96 -0.14 6.12 0.00 0.40 -1.56 121.76 128.78 3dql s ALA 110 Ca -0.04 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.96 3dql s ALA 110 Cb -0.14 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3dql s ALA 110 CO -0.03 0.05 -0.21 -1.21 0.00 0.00 0.00 175.76 174.36 3dql s GLU 111 N -1.99 2.89 -0.20 0.00 2.02 -0.29 -0.37 118.70 120.77 3dql s GLU 111 Ca -0.02 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.17 3dql s GLU 111 Cb -0.08 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.82 3dql s GLU 111 CO 0.01 -0.03 -0.17 0.08 0.02 0.00 0.00 175.26 175.17 3dql s VAL 112 N 0.86 2.22 0.05 2.63 1.01 0.04 -1.49 120.40 125.73 3dql s VAL 112 Ca -0.07 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 3dql s VAL 112 Cb -0.15 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.32 3dql s VAL 112 CO -0.02 0.44 0.88 -1.59 0.00 0.00 0.00 175.10 174.81 3dql s LYS 113 N 1.28 0.96 0.20 2.72 -2.85 -0.76 -0.53 119.74 120.77 3dql s LYS 113 Ca 0.03 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 3dql s LYS 113 Cb -0.14 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 35.96 3dql s LYS 113 CO -0.11 -0.43 1.04 -0.06 0.10 0.00 0.00 175.35 175.90 3dql s PHE 114 N -3.22 3.72 -0.42 1.78 0.08 -1.13 -0.02 117.98 118.76 3dql s PHE 114 Ca 0.06 1.72 0.03 0.00 0.12 0.00 0.00 56.93 58.87 3dql s PHE 114 Cb -0.01 -3.17 0.11 0.00 -0.57 0.00 0.00 43.02 39.38 3dql s PHE 114 CO -0.07 -0.21 0.16 -1.21 -0.10 0.00 0.00 175.22 173.79 3dql s GLU 115 N -0.68 1.76 6.26 0.44 0.41 0.49 -4.93 118.70 122.46 3dql s GLU 115 Ca 0.46 -2.16 0.00 0.00 -0.41 0.00 0.00 54.97 52.87 3dql s GLU 115 Cb -0.28 -3.31 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 3dql s GLU 115 CO 0.34 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 3dql n GLY 116 N 3.87 1.44 0.31 -1.39 0.00 -1.26 -1.92 105.19 106.23 3dql n GLY 116 Ca 0.04 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.66 3dql n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dql n ASP 117 N 5.51 0.99 -4.65 1.61 8.00 -1.26 -4.86 116.55 121.90 3dql n ASP 117 Ca 0.00 -1.24 -0.35 0.00 0.71 0.00 0.00 54.79 53.91 3dql n ASP 117 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 3dql n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dql s THR 118 N -2.08 4.80 -0.24 -3.53 2.01 -0.81 -4.39 115.64 111.40 3dql s THR 118 Ca 0.39 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 3dql s THR 118 Cb 0.21 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3dql s THR 118 CO 0.37 0.47 0.63 -0.22 -0.69 0.00 0.00 174.62 175.18 3dql s LEU 119 N 0.26 4.08 -0.08 4.42 1.98 -0.34 -0.38 118.68 128.63 3dql s LEU 119 Ca 0.04 0.74 0.02 0.00 -2.89 0.00 0.00 54.13 52.04 3dql s LEU 119 Cb -0.12 -2.87 -0.02 0.00 0.66 0.00 0.00 46.19 43.84 3dql s LEU 119 CO 0.00 -0.35 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.29 3dql s VAL 120 N 2.37 3.06 -0.35 1.68 1.01 0.97 -1.76 120.40 127.37 3dql s VAL 120 Ca 0.27 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3dql s VAL 120 Cb -0.16 -2.24 0.11 0.00 0.00 0.00 0.00 36.38 34.09 3dql s VAL 120 CO 0.09 0.56 0.10 0.21 0.00 0.00 0.00 175.10 176.06 3dql s ASN 121 N -0.26 4.36 -0.24 3.32 2.47 -0.29 -1.82 114.94 122.48 3dql s ASN 121 Ca 0.02 -2.10 -0.16 0.00 0.42 0.00 0.00 52.86 51.04 3dql s ASN 121 Cb -0.13 -1.30 -0.04 0.00 -1.45 0.00 0.00 41.25 38.33 3dql s ASN 121 CO 0.03 -0.37 0.41 -0.13 -3.72 0.00 0.00 177.10 173.32 3dql s ARG 122 N 1.00 4.10 0.00 0.43 0.52 -0.56 -1.58 118.95 122.87 3dql s ARG 122 Ca 0.12 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.53 3dql s ARG 122 Cb -0.20 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 3dql s ARG 122 CO -0.13 -0.17 -0.14 0.42 0.02 0.00 0.00 175.30 175.30 3dql s ILE 123 N 1.74 1.08 -0.09 1.52 1.01 0.24 -1.13 121.20 125.58 3dql s ILE 123 Ca 0.18 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3dql s ILE 123 Cb -0.15 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 3dql s ILE 123 CO 0.09 0.22 -0.20 -1.61 0.00 0.00 0.00 174.94 173.44 3dql s GLU 124 N -0.56 2.88 -0.08 2.79 2.02 -0.60 -1.33 118.70 123.82 3dql s GLU 124 Ca 0.04 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.25 3dql s GLU 124 Cb -0.06 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.83 3dql s GLU 124 CO 0.00 0.33 -0.12 -1.17 0.02 0.00 0.00 175.26 174.33 3dql s LEU 125 N -0.01 1.58 -0.10 1.80 0.20 0.01 -1.81 118.68 120.34 3dql s LEU 125 Ca -0.06 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.47 3dql s LEU 125 Cb -0.15 -0.86 0.01 0.00 -0.43 0.00 0.00 46.19 44.77 3dql s LEU 125 CO 0.05 0.01 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.40 3dql s LYS 126 N 0.86 2.41 -0.07 1.98 3.01 0.18 -1.69 119.74 126.42 3dql s LYS 126 Ca -0.11 -0.64 0.03 0.00 -1.01 0.00 0.00 55.97 54.24 3dql s LYS 126 Cb -0.15 -1.97 -0.02 0.00 -1.01 0.00 0.00 37.83 34.68 3dql s LYS 126 CO 0.01 0.01 -0.13 0.20 0.51 0.00 0.00 175.35 175.95 3dql s GLY 127 N 0.78 1.55 0.05 -3.33 0.00 0.17 0.11 107.32 106.66 3dql s GLY 127 Ca -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 3dql s GLY 127 CO 0.01 -0.65 -0.03 -0.26 0.00 0.00 0.00 173.10 172.17 3dql s ILE 128 N -0.53 0.25 -1.77 0.90 -4.36 -0.60 -1.13 121.20 113.96 3dql s ILE 128 Ca 0.07 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 3dql s ILE 128 Cb -0.12 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.21 3dql s ILE 128 CO 0.02 -0.93 0.00 0.47 0.24 0.00 0.00 174.94 174.74 3dql n ASP 129 N 0.27 -5.26 -4.81 4.36 8.00 -1.26 -1.38 116.55 116.48 3dql n ASP 129 Ca -0.15 0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.25 3dql n ASP 129 Cb 0.60 -4.34 -0.05 0.00 -0.02 0.00 0.00 41.12 37.31 3dql n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dql s PHE 130 N -2.79 3.17 -0.21 1.24 0.08 -1.26 -3.02 117.98 115.19 3dql s PHE 130 Ca 0.00 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 3dql s PHE 130 Cb 0.00 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3dql s PHE 130 CO 0.00 -0.49 0.70 0.15 -0.10 0.00 0.00 175.22 175.49 3dql s LYS 131 N -3.30 4.20 0.56 0.44 1.02 -1.26 -4.89 119.74 116.51 3dql s LYS 131 Ca 0.64 0.73 0.28 0.00 0.02 0.00 0.00 55.97 57.64 3dql s LYS 131 Cb -0.13 -3.61 1.47 0.00 -0.52 0.00 0.00 37.83 35.05 3dql s LYS 131 CO 0.18 -0.35 1.96 0.93 -0.92 0.00 0.00 175.35 177.15 3dql h GLU 132 N 7.59 0.00 -0.36 1.68 4.39 -1.96 -0.52 114.58 125.40 3dql h GLU 132 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3dql h GLU 132 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3dql h GLU 132 CO 0.80 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.25 3dql n ASP 133 N -4.06 3.31 -2.14 1.42 5.68 -1.26 -3.59 116.55 115.91 3dql n ASP 133 Ca 0.09 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 3dql n ASP 133 Cb 0.64 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3dql n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dql n GLY 134 N 0.37 -0.64 0.25 6.12 0.00 -0.20 -4.61 105.19 106.48 3dql n GLY 134 Ca 0.15 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.51 3dql n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dql h ASN 135 N 0.00 0.06 0.00 1.61 2.35 -1.91 0.30 115.58 117.99 3dql h ASN 135 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3dql h ASN 135 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3dql h ASN 135 CO 0.00 0.12 -0.11 0.40 -1.65 0.00 0.00 177.43 176.19 3dql h ILE 136 N 0.07 0.00 0.00 2.81 5.03 -1.92 0.88 117.51 124.38 3dql h ILE 136 Ca 0.02 -0.32 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 3dql h ILE 136 Cb 0.12 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 33.91 3dql h ILE 136 CO 0.01 0.00 -0.05 -0.07 -0.68 0.00 0.00 178.15 177.36 3dql h LEU 137 N -0.32 0.00 -1.33 1.44 3.38 -1.72 -1.46 115.31 115.29 3dql h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dql h LEU 137 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dql h LEU 137 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3dql n GLY 138 N -0.06 0.46 3.81 0.83 0.00 0.10 -4.83 105.19 105.51 3dql n GLY 138 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3dql n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dql n HIS 139 N 0.58 -1.75 -0.58 1.61 8.25 -0.55 -4.90 115.22 117.88 3dql n HIS 139 Ca 0.17 0.40 0.07 0.00 -0.26 0.00 0.00 57.72 58.10 3dql n HIS 139 Cb 0.42 -3.32 0.21 0.00 1.12 0.00 0.00 29.99 28.42 3dql n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dql n LYS 140 N -4.41 2.95 -3.50 -0.41 5.02 0.29 -4.98 118.16 113.12 3dql n LYS 140 Ca -0.12 -2.46 -0.37 0.00 -2.02 0.00 0.00 58.31 53.34 3dql n LYS 140 Cb 0.60 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 3dql n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dql s LEU 141 N -1.89 4.31 0.72 -0.35 1.43 -1.24 -0.73 118.68 120.93 3dql s LEU 141 Ca 0.33 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 3dql s LEU 141 Cb 0.23 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 44.02 3dql s LEU 141 CO 0.13 0.14 1.24 -1.61 0.23 0.00 0.00 176.35 176.48 3dql s GLU 142 N 0.10 2.14 -1.21 1.70 2.02 0.49 -4.87 118.70 119.07 3dql s GLU 142 Ca 0.20 1.88 -0.10 0.00 0.02 0.00 0.00 54.97 56.97 3dql s GLU 142 Cb -0.14 -1.82 0.20 0.00 0.10 0.00 0.00 34.13 32.47 3dql s GLU 142 CO 0.07 -1.87 1.58 0.98 0.02 0.00 0.00 175.26 176.04 3dql n TYR 143 N -2.58 3.91 -3.68 1.61 9.36 -1.26 -4.83 117.16 119.68 3dql n TYR 143 Ca 0.14 -3.11 -0.06 0.00 3.32 0.00 0.00 57.90 58.19 3dql n TYR 143 Cb 0.49 -1.93 0.02 0.00 -0.63 0.00 0.00 39.34 37.29 3dql n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dql n ASN 144 N 4.12 -1.80 -3.64 2.98 0.23 -1.26 -4.90 115.26 111.00 3dql n ASN 144 Ca 0.35 -2.19 -0.08 0.00 -0.53 0.00 0.00 54.58 52.13 3dql n ASN 144 Cb 0.39 2.98 -0.07 0.00 -2.08 0.00 0.00 39.78 41.00 3dql n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dql s TYR 145 N -3.26 -0.81 0.34 -2.53 5.04 -1.26 -4.89 117.35 109.97 3dql s TYR 145 Ca 0.14 1.75 -0.08 0.00 -2.44 0.00 0.00 57.07 56.45 3dql s TYR 145 Cb -0.04 0.44 -0.06 0.00 0.35 0.00 0.00 41.96 42.66 3dql s TYR 145 CO 0.09 -0.40 0.65 -0.80 -1.34 0.00 0.00 175.55 173.75 3dql s ASN 146 N 1.04 6.49 0.53 4.32 0.01 -1.26 -4.75 114.94 121.32 3dql s ASN 146 Ca -0.05 0.92 -0.19 0.00 -0.71 0.00 0.00 52.86 52.83 3dql s ASN 146 Cb -0.05 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 3dql s ASN 146 CO -0.11 -0.28 1.06 -0.44 -1.51 0.00 0.00 177.10 175.82 3dql s SER 147 N -3.10 6.04 -0.25 -1.22 0.01 -1.26 -4.68 113.70 109.23 3dql s SER 147 Ca 0.47 1.94 -0.13 0.00 1.31 0.00 0.00 55.95 59.54 3dql s SER 147 Cb -0.11 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.65 3dql s SER 147 CO 0.30 -0.99 0.61 -1.00 0.41 0.00 0.00 173.24 172.56 3dql s HIS 148 N -2.09 -0.98 0.27 2.43 3.76 -0.88 -5.01 115.29 112.79 3dql s HIS 148 Ca 0.67 1.94 -0.29 0.00 -0.15 0.00 0.00 55.06 57.23 3dql s HIS 148 Cb -0.18 0.56 -0.09 0.00 1.11 0.00 0.00 32.58 33.98 3dql s HIS 148 CO 0.27 -0.50 0.96 -0.80 -0.85 0.00 0.00 174.74 173.81 3dql s ASN 149 N 1.76 7.50 -0.15 1.40 0.02 -1.26 -0.53 114.94 123.67 3dql s ASN 149 Ca -0.09 1.94 0.02 0.00 -1.02 0.00 0.00 52.86 53.71 3dql s ASN 149 Cb -0.07 -2.60 0.02 0.00 0.02 0.00 0.00 41.25 38.62 3dql s ASN 149 CO -0.18 0.05 -0.20 -0.69 0.02 0.00 0.00 177.10 176.10 3dql s VAL 150 N -1.33 1.92 -0.27 1.60 1.01 -0.27 -4.83 120.40 118.23 3dql s VAL 150 Ca 0.45 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3dql s VAL 150 Cb -0.24 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3dql s VAL 150 CO 0.30 0.52 0.20 -0.31 0.00 0.00 0.00 175.10 175.81 3dql s TYR 151 N 1.06 3.24 -0.18 5.22 2.02 -1.24 -0.35 117.35 127.13 3dql s TYR 151 Ca -0.02 0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.77 3dql s TYR 151 Cb -0.14 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 3dql s TYR 151 CO -0.06 -0.12 0.06 0.42 -1.57 0.00 0.00 175.55 174.28 3dql s ILE 152 N 1.64 4.82 0.15 2.71 1.01 0.23 -3.15 121.20 128.60 3dql s ILE 152 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.76 3dql s ILE 152 Cb -0.15 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3dql s ILE 152 CO 0.10 0.47 -0.14 0.00 0.00 0.00 0.00 174.94 175.37 3dql s MET 153 N 0.24 1.12 0.66 2.79 0.23 -0.03 -2.63 119.30 121.68 3dql s MET 153 Ca 0.04 -1.35 -0.16 0.00 -1.03 0.00 0.00 55.69 53.18 3dql s MET 153 Cb -0.12 -0.96 0.00 0.00 -1.53 0.00 0.00 34.83 32.22 3dql s MET 153 CO 0.00 0.17 1.17 0.00 -2.03 0.00 0.00 175.02 174.34 3dql s ALA 154 N -2.44 2.38 -0.52 3.16 0.00 -1.25 -0.89 121.76 122.19 3dql s ALA 154 Ca 0.13 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.98 3dql s ALA 154 Cb -0.03 -3.41 0.23 0.00 0.00 0.00 0.00 23.12 19.90 3dql s ALA 154 CO 0.04 -1.43 0.57 -3.47 0.00 0.00 0.00 175.76 171.47 3dql n ASP 155 N -2.22 1.71 -0.27 0.00 -0.08 -0.26 -4.56 116.55 110.88 3dql n ASP 155 Ca 0.12 -2.98 -0.05 0.00 -1.51 0.00 0.00 54.79 50.38 3dql n ASP 155 Cb 0.51 -0.65 0.06 0.00 2.34 0.00 0.00 41.12 43.37 3dql n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dql h LYS 156 N 4.45 0.98 -0.56 -0.67 1.57 -1.94 -1.04 116.57 119.35 3dql h LYS 156 Ca 0.15 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 59.04 3dql h LYS 156 Cb 0.79 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3dql h LYS 156 CO 0.61 0.65 0.42 1.96 -0.57 0.00 0.00 179.45 182.52 3dql h GLN 157 N 1.01 0.00 -0.36 3.15 4.20 -1.95 -2.09 115.11 119.08 3dql h GLN 157 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3dql h GLN 157 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3dql h GLN 157 CO -0.06 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.73 3dql n LYS 158 N -4.29 2.91 -2.78 1.46 5.02 -0.46 -4.97 118.16 115.05 3dql n LYS 158 Ca 0.11 -2.25 -0.21 0.00 -2.02 0.00 0.00 58.31 53.94 3dql n LYS 158 Cb 0.65 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 3dql n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dql n ASN 159 N 0.39 -5.45 0.00 4.39 5.15 -0.79 -4.85 115.26 114.10 3dql n ASN 159 Ca 0.14 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3dql n ASN 159 Cb 0.54 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 3dql n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dql n GLY 160 N -1.21 4.57 3.24 8.20 0.00 -0.82 -4.44 105.19 114.73 3dql n GLY 160 Ca -0.15 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 3dql n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dql s ILE 161 N -0.41 1.27 0.03 -0.61 -4.36 -0.78 -1.10 121.20 115.24 3dql s ILE 161 Ca 0.00 -1.84 0.09 0.00 -0.26 0.00 0.00 60.65 58.64 3dql s ILE 161 Cb 0.00 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 3dql s ILE 161 CO 0.00 -0.54 -0.26 -0.54 0.24 0.00 0.00 174.94 173.84 3dql s LYS 162 N -3.05 1.85 -0.04 0.37 1.02 -0.07 -1.39 119.74 118.43 3dql s LYS 162 Ca 0.12 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 55.08 3dql s LYS 162 Cb -0.02 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3dql s LYS 162 CO 0.02 0.52 -0.09 0.08 -0.92 0.00 0.00 175.35 174.96 3dql s VAL 163 N -0.75 0.82 -0.02 3.17 1.01 0.16 -0.85 120.40 123.94 3dql s VAL 163 Ca 0.11 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3dql s VAL 163 Cb -0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3dql s VAL 163 CO 0.01 0.27 -0.14 0.21 0.00 0.00 0.00 175.10 175.45 3dql s ASN 164 N 0.46 1.75 -0.13 3.32 3.84 -1.19 -0.48 114.94 122.52 3dql s ASN 164 Ca -0.08 -0.28 -0.33 0.00 0.21 0.00 0.00 52.86 52.39 3dql s ASN 164 Cb -0.12 -0.35 0.13 0.00 -0.55 0.00 0.00 41.25 40.36 3dql s ASN 164 CO 0.01 0.15 1.13 0.72 -2.79 0.00 0.00 177.10 176.32 3dql s PHE 165 N -0.10 -0.18 -0.09 0.43 -0.71 -0.78 -3.63 117.98 112.91 3dql s PHE 165 Ca 0.01 0.09 0.02 0.00 -1.04 0.00 0.00 56.93 56.01 3dql s PHE 165 Cb -0.08 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 3dql s PHE 165 CO 0.01 -0.31 -0.16 0.15 -1.34 0.00 0.00 175.22 173.57 3dql s LYS 166 N -2.61 2.97 -0.13 1.99 1.02 -1.26 -0.21 119.74 121.51 3dql s LYS 166 Ca 0.09 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.32 3dql s LYS 166 Cb -0.01 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 3dql s LYS 166 CO -0.05 0.37 -0.05 0.42 -0.92 0.00 0.00 175.35 175.11 3dql s ILE 167 N -0.07 3.80 -0.28 2.17 -1.09 0.04 -4.98 121.20 120.79 3dql s ILE 167 Ca -0.03 -0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 57.92 3dql s ILE 167 Cb -0.14 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 3dql s ILE 167 CO 0.04 0.52 0.06 -0.13 -1.23 0.00 0.00 174.94 174.21 3dql s ARG 168 N 0.07 3.19 -0.17 2.79 0.52 -1.26 0.01 118.95 124.09 3dql s ARG 168 Ca -0.01 -0.79 -0.17 0.00 -0.52 0.00 0.00 55.73 54.24 3dql s ARG 168 Cb -0.14 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 3dql s ARG 168 CO 0.03 -0.38 0.45 -1.01 0.02 0.00 0.00 175.30 174.40 3dql s HIS 169 N 1.51 3.43 0.17 -0.53 3.76 -0.19 -4.66 115.29 118.78 3dql s HIS 169 Ca 0.03 0.75 -0.32 0.00 -0.15 0.00 0.00 55.06 55.38 3dql s HIS 169 Cb -0.17 -2.56 -0.11 0.00 1.11 0.00 0.00 32.58 30.86 3dql s HIS 169 CO 0.02 0.05 1.67 -0.80 -0.85 0.00 0.00 174.74 174.83 3dql s ASN 170 N 0.87 6.48 0.27 1.40 0.01 -1.26 -0.55 114.94 122.17 3dql s ASN 170 Ca 0.23 2.73 -0.04 0.00 -0.71 0.00 0.00 52.86 55.07 3dql s ASN 170 Cb -0.15 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.87 3dql s ASN 170 CO 0.09 -0.91 0.51 -0.63 -1.51 0.00 0.00 177.10 174.65 3dql s ILE 171 N 1.47 5.07 0.35 0.60 1.01 -0.36 -0.38 121.20 128.97 3dql s ILE 171 Ca 0.74 -0.06 0.30 0.00 0.00 0.00 0.00 60.65 61.62 3dql s ILE 171 Cb -0.46 -3.74 0.32 0.00 0.01 0.00 0.00 42.46 38.59 3dql s ILE 171 CO 0.32 -0.29 2.05 1.05 0.00 0.00 0.00 174.94 178.08 3dql h GLU 172 N 1.74 0.00 -0.10 2.79 4.11 -1.24 -1.63 114.58 120.25 3dql h GLU 172 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3dql h GLU 172 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dql h GLU 172 CO 0.66 0.11 0.00 -0.40 0.07 0.00 0.00 179.01 179.45 3dql n ASP 173 N -3.46 0.59 0.00 3.06 5.68 -1.26 -4.87 116.55 116.29 3dql n ASP 173 Ca -0.01 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3dql n ASP 173 Cb 0.26 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3dql n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dql n GLY 174 N 0.74 1.63 0.00 6.12 0.00 -0.61 -5.08 105.19 107.99 3dql n GLY 174 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3dql n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dql n SER 175 N 0.00 0.00 -3.99 1.61 2.88 -1.25 -4.80 113.62 108.06 3dql n SER 175 Ca 0.00 -0.33 -0.14 0.00 -1.33 0.00 0.00 58.87 57.07 3dql n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3dql n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dql s VAL 176 N 0.15 0.41 -0.36 2.46 -7.23 -1.26 -1.22 120.40 113.35 3dql s VAL 176 Ca 0.00 -0.60 -0.10 0.00 -1.81 0.00 0.00 61.98 59.46 3dql s VAL 176 Cb 0.00 -0.42 0.02 0.00 0.56 0.00 0.00 36.38 36.54 3dql s VAL 176 CO 0.00 -0.14 0.18 -1.58 -0.31 0.00 0.00 175.10 173.25 3dql s GLN 177 N -0.80 2.93 0.25 4.82 2.00 0.29 -4.89 119.66 124.25 3dql s GLN 177 Ca -0.04 -1.00 -0.30 0.00 -2.00 0.00 0.00 55.36 52.02 3dql s GLN 177 Cb -0.06 -3.67 -0.09 0.00 0.80 0.00 0.00 33.01 30.00 3dql s GLN 177 CO -0.00 -0.63 1.08 -0.51 -0.50 0.00 0.00 175.29 174.73 3dql s LEU 178 N 1.56 4.55 -0.30 3.68 1.43 -1.26 -1.02 118.68 127.31 3dql s LEU 178 Ca 0.02 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.28 3dql s LEU 178 Cb -0.19 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.51 3dql s LEU 178 CO 0.06 -0.12 0.10 0.00 0.23 0.00 0.00 176.35 176.62 3dql s ALA 179 N -0.91 1.35 -0.32 4.21 0.00 0.10 -1.40 121.76 124.79 3dql s ALA 179 Ca 0.45 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 3dql s ALA 179 Cb -0.30 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3dql s ALA 179 CO 0.38 -1.65 0.83 -0.51 0.00 0.00 0.00 175.76 174.81 3dql s ASP 180 N 1.71 6.68 -0.18 0.00 1.11 -0.28 -0.78 116.67 124.93 3dql s ASP 180 Ca 0.09 0.66 -0.09 0.00 0.18 0.00 0.00 52.55 53.40 3dql s ASP 180 Cb -0.17 -2.42 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 3dql s ASP 180 CO -0.27 -0.68 0.11 -1.00 1.18 0.00 0.00 175.17 174.52 3dql s HIS 181 N 3.09 3.39 -0.11 4.23 3.76 0.71 -0.24 115.29 130.11 3dql s HIS 181 Ca 0.34 0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.56 3dql s HIS 181 Cb -0.14 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 3dql s HIS 181 CO 0.14 0.32 -0.19 0.71 -0.85 0.00 0.00 174.74 174.87 3dql s TYR 182 N 0.16 2.67 0.02 1.40 1.51 0.22 -1.87 117.35 121.45 3dql s TYR 182 Ca 0.08 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.31 3dql s TYR 182 Cb -0.11 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3dql s TYR 182 CO -0.01 -0.31 -0.04 -1.14 -1.11 0.00 0.00 175.55 172.95 3dql s GLN 183 N 0.30 0.29 -0.01 -0.62 0.74 0.37 -1.23 119.66 119.49 3dql s GLN 183 Ca -0.14 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 54.86 3dql s GLN 183 Cb -0.17 -0.08 0.01 0.00 1.10 0.00 0.00 33.01 33.87 3dql s GLN 183 CO 0.07 0.01 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.67 3dql s GLN 184 N -0.89 0.21 0.00 1.67 0.74 -0.33 -0.66 119.66 120.40 3dql s GLN 184 Ca -0.08 0.00 0.08 0.00 0.05 0.00 0.00 55.36 55.42 3dql s GLN 184 Cb -0.06 -0.30 -0.02 0.00 1.10 0.00 0.00 33.01 33.73 3dql s GLN 184 CO -0.00 -0.04 -0.25 -0.80 -0.55 0.00 0.00 175.29 173.64 3dql s ASN 185 N 0.46 2.96 -0.01 6.67 -0.87 -0.49 -1.05 114.94 122.62 3dql s ASN 185 Ca -0.04 -0.50 0.00 0.00 -1.57 0.00 0.00 52.86 50.75 3dql s ASN 185 Cb -0.07 -0.31 0.01 0.00 -0.02 0.00 0.00 41.25 40.86 3dql s ASN 185 CO -0.01 0.28 -0.01 0.42 -2.57 0.00 0.00 177.10 175.22 3dql s THR 186 N -0.66 0.09 0.53 1.60 -4.23 -0.73 -1.87 115.64 110.37 3dql s THR 186 Ca 0.10 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.40 3dql s THR 186 Cb -0.10 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 3dql s THR 186 CO 0.00 0.06 1.25 -2.16 -0.54 0.00 0.00 174.62 173.23 3dql s PRO 187 N 0.29 3.30 0.12 3.99 0.04 -1.26 -0.37 135.00 141.10 3dql s PRO 187 Ca -0.02 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 3dql s PRO 187 Cb -0.04 -2.21 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 3dql s PRO 187 CO -0.01 -0.98 1.29 0.82 0.04 0.00 0.00 177.00 178.16 3dql h ILE 188 N 1.43 1.36 -4.53 0.56 2.04 -1.26 -3.44 117.51 113.67 3dql h ILE 188 Ca -0.50 -2.34 -0.47 0.00 1.00 0.00 0.00 64.86 62.55 3dql h ILE 188 Cb 1.28 2.36 0.11 0.00 -0.74 0.00 0.00 36.82 39.82 3dql h ILE 188 CO 0.58 0.71 0.39 -0.83 0.00 0.00 0.00 178.15 178.99 3dql s GLY 189 N -4.36 1.59 0.00 5.37 0.00 -1.26 -5.02 107.32 103.64 3dql s GLY 189 Ca -0.07 -0.61 0.23 0.00 0.00 0.00 0.00 44.72 44.27 3dql s GLY 189 CO 0.88 -0.11 1.21 1.34 0.00 0.00 0.00 173.10 176.42 3dql n ASP 190 N -3.41 1.02 -4.72 1.64 2.03 -1.26 -5.00 116.55 106.86 3dql n ASP 190 Ca 0.08 -0.83 -0.29 0.00 0.52 0.00 0.00 54.79 54.27 3dql n ASP 190 Cb 0.61 0.52 0.16 0.00 -0.72 0.00 0.00 41.12 41.69 3dql n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dql s GLY 191 N -2.82 1.57 0.64 0.27 0.00 -1.26 -5.02 107.32 100.70 3dql s GLY 191 Ca 0.14 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 3dql s GLY 191 CO 0.70 0.18 1.25 2.56 0.00 0.00 0.00 173.10 177.79 3dql s PRO 192 N -5.07 2.62 0.05 2.90 0.04 -1.26 -5.05 135.00 129.22 3dql s PRO 192 Ca 0.65 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.64 3dql s PRO 192 Cb -0.17 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3dql s PRO 192 CO 0.56 -1.51 -0.07 0.14 0.04 0.00 0.00 177.00 176.16 3dql s VAL 193 N -1.56 0.50 -0.19 -0.36 -7.23 -1.26 -4.82 120.40 105.48 3dql s VAL 193 Ca 0.79 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 3dql s VAL 193 Cb -0.34 -0.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 3dql s VAL 193 CO 0.38 -0.53 1.16 -0.76 -0.31 0.00 0.00 175.10 175.05 3dql s LEU 194 N -1.92 4.15 -0.23 1.32 1.43 -1.26 -5.03 118.68 117.14 3dql s LEU 194 Ca -0.06 1.56 -0.08 0.00 -1.03 0.00 0.00 54.13 54.52 3dql s LEU 194 Cb -0.06 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 3dql s LEU 194 CO -0.01 -0.71 0.09 -0.76 0.23 0.00 0.00 176.35 175.18 3dql s LEU 195 N 3.31 3.67 0.35 1.79 1.43 -1.26 -3.86 118.68 124.10 3dql s LEU 195 Ca 0.50 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 3dql s LEU 195 Cb -0.19 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 3dql s LEU 195 CO 0.11 0.04 0.77 -2.16 0.23 0.00 0.00 176.35 175.34 3dql s PRO 196 N 1.18 3.98 0.83 1.29 0.04 -1.26 -4.92 135.00 136.14 3dql s PRO 196 Ca 0.05 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.64 3dql s PRO 196 Cb -0.14 -2.39 0.08 0.00 0.04 0.00 0.00 34.50 32.08 3dql s PRO 196 CO 0.04 0.10 1.05 -0.25 0.04 0.00 0.00 177.00 177.97 3dql n ASP 197 N -0.58 0.37 -4.67 6.66 8.00 -1.26 -3.83 116.55 121.24 3dql n ASP 197 Ca 0.04 0.53 -0.48 0.00 0.71 0.00 0.00 54.79 55.59 3dql n ASP 197 Cb 0.53 -1.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.14 3dql n ASP 197 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dql n ASN 198 N -2.95 3.05 -1.36 -2.24 4.13 -1.26 -4.82 115.26 109.80 3dql n ASN 198 Ca 0.12 1.05 -0.02 0.00 1.68 0.00 0.00 54.58 57.40 3dql n ASN 198 Cb 0.51 -1.37 -0.00 0.00 -1.54 0.00 0.00 39.78 37.38 3dql n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dql n HIS 199 N 4.62 -0.83 -4.07 3.10 1.44 -1.08 -4.69 115.22 113.71 3dql n HIS 199 Ca 0.20 -0.41 -0.08 0.00 -2.01 0.00 0.00 57.72 55.41 3dql n HIS 199 Cb 0.27 0.13 -0.09 0.00 0.12 0.00 0.00 29.99 30.41 3dql n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dql s TYR 200 N -5.62 0.59 -0.14 -1.40 -0.85 -0.60 -0.61 117.35 108.72 3dql s TYR 200 Ca 0.05 -1.04 -0.03 0.00 -0.52 0.00 0.00 57.07 55.53 3dql s TYR 200 Cb -0.00 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 3dql s TYR 200 CO 0.03 -0.48 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.02 3dql s LEU 201 N -2.96 3.17 -0.22 -3.49 1.43 0.53 -0.88 118.68 116.24 3dql s LEU 201 Ca 0.14 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 3dql s LEU 201 Cb 0.07 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3dql s LEU 201 CO -0.05 0.19 0.47 -0.44 0.23 0.00 0.00 176.35 176.75 3dql s SER 202 N 0.23 6.46 -0.08 2.29 0.01 -0.05 -1.11 113.70 121.45 3dql s SER 202 Ca -0.04 0.55 -0.00 0.00 1.31 0.00 0.00 55.95 57.78 3dql s SER 202 Cb -0.14 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3dql s SER 202 CO 0.03 -0.18 -0.06 -0.31 0.41 0.00 0.00 173.24 173.13 3dql s TYR 203 N 1.76 2.95 -0.02 2.43 1.51 0.31 -2.38 117.35 123.91 3dql s TYR 203 Ca 0.21 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.27 3dql s TYR 203 Cb -0.15 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 3dql s TYR 203 CO 0.09 0.26 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.96 3dql s GLN 204 N -0.58 1.59 -0.02 -0.62 1.11 -0.49 -2.07 119.66 118.57 3dql s GLN 204 Ca 0.09 -0.65 0.00 0.00 0.01 0.00 0.00 55.36 54.81 3dql s GLN 204 Cb -0.12 -1.48 0.02 0.00 -1.01 0.00 0.00 33.01 30.42 3dql s GLN 204 CO 0.02 0.35 0.00 -1.12 0.01 0.00 0.00 175.29 174.56 3dql s SER 205 N -0.30 0.21 -0.05 5.90 0.01 -1.26 -1.53 113.70 116.68 3dql s SER 205 Ca 0.04 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3dql s SER 205 Cb -0.08 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3dql s SER 205 CO 0.00 -0.07 -0.12 0.00 0.41 0.00 0.00 173.24 173.47 3dql s ALA 206 N 0.66 1.17 -0.07 1.44 0.00 0.39 -4.56 121.76 120.79 3dql s ALA 206 Ca -0.06 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3dql s ALA 206 Cb -0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3dql s ALA 206 CO -0.02 0.13 -0.12 -0.51 0.00 0.00 0.00 175.76 175.25 3dql s LEU 207 N 0.52 2.86 0.00 0.00 1.43 -1.26 -1.26 118.68 120.96 3dql s LEU 207 Ca -0.11 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3dql s LEU 207 Cb -0.14 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3dql s LEU 207 CO 0.03 0.32 0.37 -1.54 0.23 0.00 0.00 176.35 175.76 3dql n SER 208 N 2.47 -1.01 -4.20 2.29 3.41 0.44 -4.93 113.62 112.10 3dql n SER 208 Ca -0.17 -2.63 -0.22 0.00 -0.26 0.00 0.00 58.87 55.59 3dql n SER 208 Cb 0.52 1.95 -0.13 0.00 -0.26 0.00 0.00 64.21 66.29 3dql n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dql s LYS 209 N -2.76 1.08 -0.35 4.33 -0.14 -1.26 -1.80 119.74 118.84 3dql s LYS 209 Ca 0.26 -0.88 -0.19 0.00 -1.36 0.00 0.00 55.97 53.80 3dql s LYS 209 Cb -0.00 -1.16 -0.00 0.00 -1.68 0.00 0.00 37.83 34.99 3dql s LYS 209 CO 0.19 0.29 0.56 0.34 -0.76 0.00 0.00 175.35 175.96 3dql s ASP 210 N -1.30 6.35 0.66 2.83 -1.08 -1.26 -4.95 116.67 117.92 3dql s ASP 210 Ca 0.04 0.03 0.44 0.00 -0.52 0.00 0.00 52.55 52.53 3dql s ASP 210 Cb -0.09 -2.29 2.35 0.00 -1.46 0.00 0.00 42.92 41.44 3dql s ASP 210 CO 0.02 -0.52 2.34 1.55 0.52 0.00 0.00 175.17 179.08 3dql h PRO 211 N 8.46 0.00 -0.56 4.34 0.13 -2.04 -1.22 132.00 141.11 3dql h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3dql h PRO 211 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3dql h PRO 211 CO 0.79 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.65 3dql n ASN 212 N -3.07 3.56 -4.58 1.44 3.02 -1.26 -4.90 115.26 109.48 3dql n ASN 212 Ca -0.03 -1.99 -0.37 0.00 -0.03 0.00 0.00 54.58 52.16 3dql n ASN 212 Cb 0.09 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 3dql n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dql s GLU 213 N -1.26 3.92 0.14 3.52 2.56 -0.46 -4.96 118.70 122.16 3dql s GLU 213 Ca 0.43 -0.34 0.20 0.00 0.00 0.00 0.00 54.97 55.26 3dql s GLU 213 Cb 0.24 -3.56 -0.06 0.00 2.00 0.00 0.00 34.13 32.75 3dql s GLU 213 CO 0.32 -0.12 0.96 0.87 -0.56 0.00 0.00 175.26 176.73 3dql h LYS 214 N 8.12 0.00 -7.44 4.30 1.79 -1.90 -3.46 116.57 117.97 3dql h LYS 214 Ca -0.36 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.63 3dql h LYS 214 Cb 1.18 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.95 3dql h LYS 214 CO 0.58 0.15 0.32 1.03 -1.08 0.00 0.00 179.45 180.46 3dql s ARG 215 N -3.14 1.74 -0.12 3.15 0.52 -1.26 -4.98 118.95 114.86 3dql s ARG 215 Ca -0.01 0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 55.41 3dql s ARG 215 Cb 0.09 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 3dql s ARG 215 CO 0.80 -1.83 1.05 0.34 0.02 0.00 0.00 175.30 175.68 3dql s ASP 216 N -3.95 7.18 0.31 0.23 2.15 -1.26 -4.96 116.67 116.36 3dql s ASP 216 Ca 0.62 1.55 -0.16 0.00 0.43 0.00 0.00 52.55 54.99 3dql s ASP 216 Cb -0.14 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 3dql s ASP 216 CO 0.54 -0.52 0.67 -1.38 -0.17 0.00 0.00 175.17 174.31 3dql s HIS 217 N 2.32 0.13 -0.11 -5.34 -3.43 -1.26 -0.44 115.29 107.16 3dql s HIS 217 Ca 0.49 -0.61 -0.07 0.00 -0.80 0.00 0.00 55.06 54.07 3dql s HIS 217 Cb -0.19 0.57 0.04 0.00 -1.43 0.00 0.00 32.58 31.58 3dql s HIS 217 CO 0.16 -1.28 0.27 1.41 -2.00 0.00 0.00 174.74 173.30 3dql s MET 218 N -3.38 0.25 -0.20 -0.38 1.75 -0.23 -4.97 119.30 112.13 3dql s MET 218 Ca 0.16 0.52 -0.07 0.00 -1.25 0.00 0.00 55.69 55.06 3dql s MET 218 Cb -0.04 -0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.54 3dql s MET 218 CO 0.10 -0.14 0.05 0.08 -0.65 0.00 0.00 175.02 174.47 3dql s VAL 219 N 1.04 4.51 -0.11 10.11 1.01 -0.75 0.02 120.40 136.23 3dql s VAL 219 Ca -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3dql s VAL 219 Cb -0.08 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3dql s VAL 219 CO -0.07 0.42 -0.16 -0.22 0.00 0.00 0.00 175.10 175.07 3dql s LEU 220 N 0.82 1.77 -0.16 3.92 2.96 0.17 -0.42 118.68 127.73 3dql s LEU 220 Ca 0.03 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3dql s LEU 220 Cb -0.14 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.44 3dql s LEU 220 CO 0.02 0.03 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.67 3dql s LEU 221 N 0.95 2.23 0.00 -0.68 2.96 -0.39 -1.19 118.68 122.57 3dql s LEU 221 Ca -0.07 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 3dql s LEU 221 Cb -0.15 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3dql s LEU 221 CO -0.01 0.04 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.29 3dql s GLU 222 N 1.06 1.23 -0.06 1.98 2.02 -0.38 -0.46 118.70 124.09 3dql s GLU 222 Ca -0.01 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.38 3dql s GLU 222 Cb -0.14 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 32.87 3dql s GLU 222 CO -0.06 0.33 -0.19 -0.06 0.02 0.00 0.00 175.26 175.30 3dql s PHE 223 N -0.50 1.94 -0.05 1.61 0.08 -0.58 -0.43 117.98 120.04 3dql s PHE 223 Ca 0.05 -0.66 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 3dql s PHE 223 Cb -0.07 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3dql s PHE 223 CO -0.00 -0.25 0.08 0.08 -0.10 0.00 0.00 175.22 175.03 3dql s VAL 224 N 0.22 -0.13 -0.07 -0.44 1.01 0.12 -1.40 120.40 119.71 3dql s VAL 224 Ca -0.10 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3dql s VAL 224 Cb -0.14 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3dql s VAL 224 CO 0.04 0.14 -0.07 -0.89 0.00 0.00 0.00 175.10 174.33 3dql s THR 225 N 1.88 0.82 0.56 3.92 2.01 -1.00 -0.20 115.64 123.63 3dql s THR 225 Ca 0.00 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 3dql s THR 225 Cb -0.12 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3dql s THR 225 CO -0.04 0.31 1.07 0.00 -0.69 0.00 0.00 174.62 175.27 3dql s ALA 226 N 1.25 2.74 0.27 7.40 0.00 -0.15 -0.87 121.76 132.40 3dql s ALA 226 Ca -0.05 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.24 3dql s ALA 226 Cb -0.14 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.78 3dql s ALA 226 CO -0.02 -0.71 0.89 0.00 0.00 0.00 0.00 175.76 175.91 3dql s ALA 227 N -2.21 -1.23 0.00 0.00 0.00 -0.06 -4.53 121.76 113.73 3dql s ALA 227 Ca 0.66 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3dql s ALA 227 Cb -0.18 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.66 3dql s ALA 227 CO 0.31 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3dql n GLY 228 N -0.56 0.47 3.07 0.00 0.00 -1.26 -1.56 105.19 105.34 3dql n GLY 228 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3dql n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dql s ILE 229 N -2.00 2.94 -2.00 -0.61 1.01 -1.26 -4.83 121.20 114.44 3dql s ILE 229 Ca 0.00 -2.38 0.10 0.00 0.00 0.00 0.00 60.65 58.38 3dql s ILE 229 Cb 0.00 -3.04 0.30 0.00 0.01 0.00 0.00 42.46 39.72 3dql s ILE 229 CO 0.00 -0.69 1.06 0.35 0.00 0.00 0.00 174.94 175.66