#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtg s ARG 24 N 0.00 3.93 0.29 3.23 3.03 -1.26 -4.91 118.95 123.27 2qtg s ARG 24 Ca 0.00 0.81 -0.29 0.00 2.03 0.00 0.00 55.73 58.28 2qtg s ARG 24 Cb 0.00 -2.23 -0.10 0.00 -1.03 0.00 0.00 34.95 31.59 2qtg s ARG 24 CO 0.00 -0.15 1.20 -2.14 -1.13 0.00 0.00 175.30 173.09 2qtg s PRO 25 N -3.84 4.50 0.06 3.89 0.02 -1.26 -4.50 135.00 133.87 2qtg s PRO 25 Ca 0.57 2.00 -0.37 0.00 0.02 0.00 0.00 61.00 63.22 2qtg s PRO 25 Cb -0.10 -3.14 -0.17 0.00 0.02 0.00 0.00 34.50 31.11 2qtg s PRO 25 CO 0.28 0.00 1.38 -0.89 -0.33 0.00 0.00 177.00 177.44 2qtg n ILE 26 N 1.16 0.02 0.00 2.83 5.41 0.52 -4.90 119.36 124.40 2qtg n ILE 26 Ca -0.00 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2qtg n ILE 26 Cb 0.43 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 2qtg n ILE 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2qtg n SER 27 N 2.77 1.16 -3.68 4.38 3.41 -1.26 -4.62 113.62 115.78 2qtg n SER 27 Ca 0.19 -0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.34 2qtg n SER 27 Cb 0.19 0.88 -0.13 0.00 -0.26 0.00 0.00 64.21 64.89 2qtg n SER 27 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qtg s SER 28 N -1.11 0.21 -0.07 4.04 0.15 -1.26 -0.22 113.70 115.43 2qtg s SER 28 Ca 0.00 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.24 2qtg s SER 28 Cb 0.00 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2qtg s SER 28 CO 0.00 -0.22 -0.21 -0.69 1.20 0.00 0.00 173.24 173.32 2qtg s VAL 29 N 2.07 2.43 -0.16 4.45 1.01 -0.25 -0.62 120.40 129.33 2qtg s VAL 29 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2qtg s VAL 29 Cb -0.12 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2qtg s VAL 29 CO -0.08 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 2qtg s VAL 30 N -0.11 2.57 -0.10 2.92 1.01 -0.97 -1.50 120.40 124.22 2qtg s VAL 30 Ca -0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2qtg s VAL 30 Cb -0.14 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2qtg s VAL 30 CO 0.04 0.52 0.44 -0.36 0.00 0.00 0.00 175.10 175.74 2qtg s PHE 31 N 0.89 3.54 -0.32 5.22 0.40 0.07 -0.66 117.98 127.12 2qtg s PHE 31 Ca -0.04 0.87 -0.09 0.00 -0.60 0.00 0.00 56.93 57.07 2qtg s PHE 31 Cb -0.15 -2.48 0.01 0.00 0.51 0.00 0.00 43.02 40.91 2qtg s PHE 31 CO -0.02 0.26 0.14 0.08 0.70 0.00 0.00 175.22 176.38 2qtg s VAL 32 N 0.30 4.29 -0.10 -0.44 1.01 0.42 -1.09 120.40 124.80 2qtg s VAL 32 Ca 0.24 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2qtg s VAL 32 Cb -0.15 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2qtg s VAL 32 CO 0.10 -0.03 -0.05 -0.63 0.00 0.00 0.00 175.10 174.48 2qtg s ILE 33 N 1.54 0.84 0.28 2.22 1.01 -0.58 -2.17 121.20 124.33 2qtg s ILE 33 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2qtg s ILE 33 Cb -0.18 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.45 2qtg s ILE 33 CO 0.05 0.33 1.70 0.00 0.00 0.00 0.00 174.94 177.02 2qtg h ALA 34 N 8.17 1.07 -3.47 9.38 0.00 -1.84 -3.36 119.26 129.20 2qtg h ALA 34 Ca -0.27 -0.38 -0.65 0.00 0.00 0.00 0.00 54.91 53.60 2qtg h ALA 34 Cb 1.13 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 18.49 2qtg h ALA 34 CO 0.37 0.58 -0.87 -1.64 0.00 0.00 0.00 179.25 177.69 2qtg s MET 35 N -4.31 2.72 0.28 0.00 -1.94 -1.26 -4.41 119.30 110.38 2qtg s MET 35 Ca -0.06 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.11 2qtg s MET 35 Cb 0.13 -2.11 0.47 0.00 2.01 0.00 0.00 34.83 35.33 2qtg s MET 35 CO 0.79 0.19 1.90 1.96 -0.01 0.00 0.00 175.02 179.84 2qtg h GLN 36 N 6.64 1.07 -1.01 2.03 4.20 -1.97 -1.32 115.11 124.75 2qtg h GLN 36 Ca -0.23 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.53 2qtg h GLN 36 Cb 1.22 -0.24 -0.08 0.00 0.30 0.00 0.00 27.48 28.67 2qtg h GLN 36 CO 0.47 0.71 0.63 0.00 -0.67 0.00 0.00 178.83 179.97 2qtg h ALA 37 N 1.48 1.52 0.00 3.87 0.00 -1.98 -0.27 119.26 123.88 2qtg h ALA 37 Ca 0.41 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2qtg h ALA 37 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2qtg h ALA 37 CO -0.16 0.23 -0.33 0.93 0.00 0.00 0.00 179.25 179.92 2qtg h GLU 38 N 1.00 0.00 0.18 0.00 5.08 -1.66 -3.23 114.58 115.95 2qtg h GLU 38 Ca 0.50 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.56 2qtg h GLU 38 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 2qtg h GLU 38 CO -0.26 0.33 -1.35 0.00 -1.00 0.00 0.00 179.01 176.73 2qtg h ALA 39 N 1.67 0.00 -0.45 3.43 0.00 -0.76 -3.41 119.26 119.74 2qtg h ALA 39 Ca -0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 2qtg h ALA 39 Cb 0.83 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2qtg h ALA 39 CO 0.04 0.88 -0.12 -0.07 0.00 0.00 0.00 179.25 179.98 2qtg h LEU 40 N 0.10 0.89 -1.61 0.00 3.38 -1.19 -1.75 115.31 115.12 2qtg h LEU 40 Ca -0.19 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.53 2qtg h LEU 40 Cb 2.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 2qtg h LEU 40 CO 0.23 1.05 0.43 -0.65 0.09 0.00 0.00 178.44 179.59 2qtg h PRO 41 N 0.71 0.41 -0.09 1.13 0.11 -1.79 0.04 132.00 132.52 2qtg h PRO 41 Ca 0.11 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 2qtg h PRO 41 Cb 0.66 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2qtg h PRO 41 CO 0.05 0.27 -0.67 1.25 -0.21 0.00 0.00 178.00 178.69 2qtg h LEU 42 N 0.43 0.43 0.03 2.35 5.85 -1.61 -1.75 115.31 121.04 2qtg h LEU 42 Ca 0.30 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qtg h LEU 42 Cb 0.61 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2qtg h LEU 42 CO -0.09 0.98 -0.02 0.58 -0.34 0.00 0.00 178.44 179.55 2qtg h VAL 43 N 0.26 1.08 0.04 1.05 2.07 -0.32 -2.87 116.25 117.55 2qtg h VAL 43 Ca -0.02 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2qtg h VAL 43 Cb 1.22 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2qtg h VAL 43 CO 0.11 0.09 -0.39 0.78 0.02 0.00 0.00 177.57 178.18 2qtg h ASN 44 N -0.20 -1.19 -0.98 0.57 -0.26 -1.09 -0.44 115.58 111.99 2qtg h ASN 44 Ca -0.00 0.13 0.34 0.00 -0.56 0.00 0.00 56.30 56.20 2qtg h ASN 44 Cb 0.18 0.45 -0.18 0.00 -1.06 0.00 0.00 38.32 37.71 2qtg h ASN 44 CO 0.01 -0.39 0.26 1.17 -1.06 0.00 0.00 177.43 177.41 2qtg n LYS 45 N -4.65 -0.07 -0.30 0.81 3.00 -0.66 0.08 118.16 116.38 2qtg n LYS 45 Ca -0.06 1.42 0.11 0.00 -0.00 0.00 0.00 58.31 59.78 2qtg n LYS 45 Cb 0.29 -2.39 0.27 0.00 0.00 0.00 0.00 35.03 33.21 2qtg n LYS 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qtg n PHE 46 N -5.36 0.78 -4.24 5.64 3.72 -1.09 -4.97 117.46 111.94 2qtg n PHE 46 Ca 0.30 -0.43 -0.32 0.00 -0.05 0.00 0.00 57.45 56.95 2qtg n PHE 46 Cb 1.00 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.46 2qtg n PHE 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qtg n GLY 47 N 1.47 -0.22 3.81 1.37 0.00 0.11 -4.87 105.19 106.86 2qtg n GLY 47 Ca 0.21 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2qtg n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtg s LEU 48 N -7.34 3.51 0.14 0.99 1.43 -0.30 -4.93 118.68 112.17 2qtg s LEU 48 Ca 0.06 1.74 0.11 0.00 -1.03 0.00 0.00 54.13 55.02 2qtg s LEU 48 Cb -0.03 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2qtg s LEU 48 CO 0.98 -1.04 -0.26 -0.94 0.23 0.00 0.00 176.35 175.32 2qtg s SER 49 N -2.92 3.38 0.02 2.29 1.04 0.10 -4.81 113.70 112.79 2qtg s SER 49 Ca 0.62 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 56.00 2qtg s SER 49 Cb -0.14 -0.25 -0.08 0.00 0.10 0.00 0.00 66.02 65.65 2qtg s SER 49 CO 0.37 0.17 1.78 -0.70 0.98 0.00 0.00 173.24 175.84 2qtg s GLU 50 N -2.15 4.17 0.24 4.02 2.12 -1.26 -1.09 118.70 124.75 2qtg s GLU 50 Ca 0.15 2.40 -0.31 0.00 0.36 0.00 0.00 54.97 57.57 2qtg s GLU 50 Cb -0.10 -3.94 -0.13 0.00 0.26 0.00 0.00 34.13 30.22 2qtg s GLU 50 CO 0.07 -0.86 1.52 2.41 -0.54 0.00 0.00 175.26 177.86 2qtg n THR 51 N 5.30 0.71 0.59 -1.70 -1.04 0.11 -4.94 114.28 113.32 2qtg n THR 51 Ca 0.18 -0.18 0.06 0.00 -2.04 0.00 0.00 64.05 62.08 2qtg n THR 51 Cb 0.41 -1.67 -0.08 0.00 -1.82 0.00 0.00 70.33 67.18 2qtg n THR 51 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qtg n THR 52 N 2.43 0.00 -0.82 12.58 -2.24 -1.26 -4.72 114.28 120.25 2qtg n THR 52 Ca 0.12 -0.19 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 2qtg n THR 52 Cb 0.33 0.95 0.35 0.00 -2.10 0.00 0.00 70.33 69.86 2qtg n THR 52 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qtg n ASP 53 N -1.35 4.94 -4.15 3.42 5.75 -1.26 -4.99 116.55 118.90 2qtg n ASP 53 Ca 0.02 -2.79 -0.29 0.00 -0.01 0.00 0.00 54.79 51.72 2qtg n ASP 53 Cb 0.22 -0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 2qtg n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qtg n SER 54 N 0.48 0.13 0.13 -1.12 7.64 -1.26 -4.83 113.62 114.79 2qtg n SER 54 Ca 0.25 -1.17 0.09 0.00 1.01 0.00 0.00 58.87 59.05 2qtg n SER 54 Cb 1.01 -2.20 0.57 0.00 -1.01 0.00 0.00 64.21 62.59 2qtg n SER 54 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2qtg h PRO 55 N -1.85 0.19 -0.00 1.43 0.13 -1.96 -0.85 132.00 129.09 2qtg h PRO 55 Ca -0.65 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2qtg h PRO 55 Cb 1.39 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2qtg h PRO 55 CO 0.66 0.12 -0.00 1.28 -0.23 0.00 0.00 178.00 179.84 2qtg n LEU 56 N -4.50 0.00 0.00 1.56 4.77 -1.26 -4.91 117.00 112.66 2qtg n LEU 56 Ca 0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2qtg n LEU 56 Cb 0.17 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2qtg n LEU 56 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2qtg n GLY 57 N 1.30 4.02 3.77 -0.72 0.00 -0.32 -5.05 105.19 108.19 2qtg n GLY 57 Ca 0.14 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2qtg n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qtg s LYS 58 N -3.08 4.37 0.00 1.61 2.47 -1.25 -3.36 119.74 120.49 2qtg s LYS 58 Ca 0.00 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 56.55 2qtg s LYS 58 Cb 0.00 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.31 2qtg s LYS 58 CO 0.00 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.77 2qtg n GLY 59 N 0.84 0.84 3.83 5.54 0.00 -1.26 -5.02 105.19 109.96 2qtg n GLY 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2qtg n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtg s LEU 60 N 0.00 3.76 0.00 0.99 1.43 -1.21 -4.97 118.68 118.67 2qtg s LEU 60 Ca 0.00 1.63 0.24 0.00 -1.03 0.00 0.00 54.13 54.97 2qtg s LEU 60 Cb 0.00 -4.52 1.38 0.00 0.03 0.00 0.00 46.19 43.07 2qtg s LEU 60 CO 0.00 -0.51 1.89 -0.81 0.23 0.00 0.00 176.35 177.15 2qtg n PRO 61 N -1.19 1.05 -2.06 1.29 -0.04 -1.26 -4.93 135.00 127.86 2qtg n PRO 61 Ca 0.07 -0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 63.07 2qtg n PRO 61 Cb 0.54 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 2qtg n PRO 61 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2qtg s TRP 62 N -1.99 2.69 -0.07 0.54 0.51 -1.24 -4.02 118.94 115.36 2qtg s TRP 62 Ca 0.36 1.45 0.05 0.00 -2.12 0.00 0.00 56.10 55.83 2qtg s TRP 62 Cb 0.17 -3.58 -0.01 0.00 -0.81 0.00 0.00 33.47 29.23 2qtg s TRP 62 CO 0.28 -2.07 -0.22 0.08 -0.51 0.00 0.00 176.95 174.51 2qtg s VAL 63 N -1.39 2.35 -0.03 4.03 1.01 -0.54 -4.92 120.40 120.91 2qtg s VAL 63 Ca 0.64 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2qtg s VAL 63 Cb -0.35 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2qtg s VAL 63 CO 0.43 0.57 -0.08 -0.22 0.00 0.00 0.00 175.10 175.79 2qtg s LEU 64 N -0.11 1.68 -0.02 3.92 2.96 -1.26 -0.73 118.68 125.11 2qtg s LEU 64 Ca -0.04 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2qtg s LEU 64 Cb -0.14 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 2qtg s LEU 64 CO 0.04 0.03 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.55 2qtg s TYR 65 N 0.38 2.16 0.07 5.38 2.02 -0.13 0.08 117.35 127.31 2qtg s TYR 65 Ca -0.06 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2qtg s TYR 65 Cb -0.10 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2qtg s TYR 65 CO 0.01 -0.04 -0.05 -3.38 -1.57 0.00 0.00 175.55 170.52 2qtg s HIS 66 N -0.56 0.70 -0.32 2.71 -3.43 -0.25 -0.81 115.29 113.33 2qtg s HIS 66 Ca 0.09 -0.94 0.00 0.00 -0.80 0.00 0.00 55.06 53.41 2qtg s HIS 66 Cb -0.09 -0.44 0.00 0.00 -1.43 0.00 0.00 32.58 30.61 2qtg s HIS 66 CO -0.01 -0.24 0.00 0.41 -2.00 0.00 0.00 174.74 172.90 2qtg n GLY 67 N 0.16 -1.22 2.92 -1.38 0.00 -0.41 -0.72 105.19 104.56 2qtg n GLY 67 Ca -0.14 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 2qtg n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qtg s VAL 68 N -2.34 -0.13 -0.28 1.61 1.01 -1.26 -0.80 120.40 118.21 2qtg s VAL 68 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2qtg s VAL 68 Cb 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 36.18 2qtg s VAL 68 CO 0.00 0.10 0.08 -2.28 0.00 0.00 0.00 175.10 173.00 2qtg s HIS 69 N 1.57 1.42 0.00 5.22 5.04 0.13 -4.95 115.29 123.72 2qtg s HIS 69 Ca -0.05 -1.45 0.00 0.00 -1.54 0.00 0.00 55.06 52.02 2qtg s HIS 69 Cb -0.12 -1.47 0.00 0.00 0.04 0.00 0.00 32.58 31.04 2qtg s HIS 69 CO -0.06 -0.81 0.00 1.63 -2.34 0.00 0.00 174.74 173.15 2qtg n LYS 70 N 4.93 0.00 0.00 2.88 5.02 -1.26 -2.42 118.16 127.32 2qtg n LYS 70 Ca -0.04 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.31 2qtg n LYS 70 Cb 0.43 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.80 2qtg n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qtg n ASP 71 N 4.54 0.00 -4.19 4.39 8.00 -1.26 -4.84 116.55 123.19 2qtg n ASP 71 Ca 0.00 -0.61 -0.29 0.00 0.71 0.00 0.00 54.79 54.60 2qtg n ASP 71 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 2qtg n ASP 71 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qtg s LEU 72 N -1.77 1.98 0.02 0.64 1.43 -1.01 -4.64 118.68 115.33 2qtg s LEU 72 Ca 0.18 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2qtg s LEU 72 Cb 0.08 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2qtg s LEU 72 CO 0.14 0.18 0.94 -0.60 0.23 0.00 0.00 176.35 177.24 2qtg s ARG 73 N 0.07 4.58 -0.18 1.70 3.52 0.70 0.22 118.95 129.56 2qtg s ARG 73 Ca -0.08 1.36 0.01 0.00 -0.13 0.00 0.00 55.73 56.89 2qtg s ARG 73 Cb -0.14 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2qtg s ARG 73 CO 0.04 0.04 -0.19 0.42 -0.81 0.00 0.00 175.30 174.80 2qtg s ILE 74 N 0.69 2.13 0.04 4.11 1.01 0.02 -1.09 121.20 128.12 2qtg s ILE 74 Ca 0.49 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 60.30 2qtg s ILE 74 Cb -0.21 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 2qtg s ILE 74 CO 0.27 0.53 -0.25 0.20 0.00 0.00 0.00 174.94 175.70 2qtg s ASN 75 N 1.25 2.95 -0.10 3.58 0.01 -0.56 -1.28 114.94 120.79 2qtg s ASN 75 Ca 0.04 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 2qtg s ASN 75 Cb -0.13 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.28 2qtg s ASN 75 CO -0.11 0.24 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.94 2qtg s VAL 76 N -0.78 0.99 -0.06 1.60 1.01 0.01 -0.75 120.40 122.42 2qtg s VAL 76 Ca 0.10 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2qtg s VAL 76 Cb -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2qtg s VAL 76 CO 0.02 0.35 -0.19 0.54 0.00 0.00 0.00 175.10 175.82 2qtg s VAL 77 N 1.42 2.59 0.09 2.92 0.11 -0.25 -0.96 120.40 126.32 2qtg s VAL 77 Ca -0.01 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.23 2qtg s VAL 77 Cb -0.13 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 2qtg s VAL 77 CO -0.05 0.57 -0.18 0.00 -3.33 0.00 0.00 175.10 172.11 2qtg h PRO 79 N 4.16 0.00 0.00 0.00 0.13 -1.77 -1.44 132.00 133.08 2qtg h PRO 79 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2qtg h PRO 79 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qtg h PRO 79 CO 0.40 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 178.57 2qtg n GLY 80 N 0.51 -1.59 3.81 1.56 0.00 -1.26 -3.74 105.19 104.48 2qtg n GLY 80 Ca 0.03 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 2qtg n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qtg s ARG 81 N -0.06 4.31 0.16 1.61 1.70 -1.26 -0.64 118.95 124.77 2qtg s ARG 81 Ca 0.00 0.96 -0.31 0.00 -0.47 0.00 0.00 55.73 55.91 2qtg s ARG 81 Cb 0.00 -2.85 -0.10 0.00 -0.57 0.00 0.00 34.95 31.43 2qtg s ARG 81 CO 0.00 0.36 1.68 0.34 -1.08 0.00 0.00 175.30 176.61 2qtg s ASP 82 N -1.66 6.49 0.19 -2.89 2.15 0.10 -4.81 116.67 116.25 2qtg s ASP 82 Ca 0.45 2.70 -0.13 0.00 0.43 0.00 0.00 52.55 56.00 2qtg s ASP 82 Cb -0.17 -2.59 0.22 0.00 -0.30 0.00 0.00 42.92 40.08 2qtg s ASP 82 CO 0.21 -0.92 1.68 0.00 -0.17 0.00 0.00 175.17 175.98 2qtg h ALA 83 N 7.39 0.51 0.19 3.66 0.00 -1.93 0.36 119.26 129.44 2qtg h ALA 83 Ca -0.43 0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 2qtg h ALA 83 Cb 1.21 0.26 0.03 0.00 0.00 0.00 0.00 17.79 19.29 2qtg h ALA 83 CO 0.94 -0.38 -1.26 0.00 0.00 0.00 0.00 179.25 178.55 2qtg h ALA 84 N 1.47 -0.11 0.00 0.00 0.00 -2.00 -3.40 119.26 115.23 2qtg h ALA 84 Ca 0.27 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2qtg h ALA 84 Cb 0.41 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qtg h ALA 84 CO -0.43 0.61 -0.87 1.28 0.00 0.00 0.00 179.25 179.83 2qtg n LEU 85 N -3.84 0.74 0.00 0.00 4.77 -1.17 -5.03 117.00 112.46 2qtg n LEU 85 Ca -0.15 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2qtg n LEU 85 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 2qtg n LEU 85 CO 0.57 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2qtg n GLY 86 N 1.41 0.51 3.85 -0.72 0.00 0.11 -4.93 105.19 105.42 2qtg n GLY 86 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2qtg n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qtg s ILE 87 N -2.33 2.88 0.35 -0.61 -5.25 -1.26 -4.64 121.20 110.33 2qtg s ILE 87 Ca 0.00 -1.39 -0.29 0.00 -0.99 0.00 0.00 60.65 57.98 2qtg s ILE 87 Cb 0.00 -3.04 -0.11 0.00 2.95 0.00 0.00 42.46 42.26 2qtg s ILE 87 CO 0.00 -0.06 1.51 -1.81 -1.79 0.00 0.00 174.94 172.79 2qtg s ASP 88 N -4.06 6.38 -1.28 4.36 1.01 -1.26 -0.72 116.67 121.09 2qtg s ASP 88 Ca 0.45 3.00 -0.12 0.00 0.71 0.00 0.00 52.55 56.59 2qtg s ASP 88 Cb -0.03 -2.66 0.14 0.00 1.01 0.00 0.00 42.92 41.38 2qtg s ASP 88 CO 0.27 -0.87 1.74 -1.20 0.21 0.00 0.00 175.17 175.32 2qtg n SER 89 N 1.01 4.99 -4.69 0.27 7.64 0.19 -4.80 113.62 118.21 2qtg n SER 89 Ca 0.03 -3.01 -0.29 0.00 1.01 0.00 0.00 58.87 56.61 2qtg n SER 89 Cb 0.39 -1.56 0.16 0.00 -1.01 0.00 0.00 64.21 62.19 2qtg n SER 89 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2qtg s VAL 90 N 1.53 2.38 0.00 0.44 -7.23 -1.26 -4.67 120.40 111.58 2qtg s VAL 90 Ca 0.43 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2qtg s VAL 90 Cb 0.05 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2qtg s VAL 90 CO 0.00 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2qtg n GLY 91 N -1.04 0.80 0.23 2.32 0.00 -1.26 -4.77 105.19 101.47 2qtg n GLY 91 Ca 0.06 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 2qtg n GLY 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtg h THR 92 N 0.00 1.29 0.39 2.61 1.35 -1.78 -2.90 112.91 113.87 2qtg h THR 92 Ca 0.00 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.48 2qtg h THR 92 Cb 0.00 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2qtg h THR 92 CO 0.00 0.45 -0.19 0.58 -0.25 0.00 0.00 175.52 176.11 2qtg h VAL 93 N 0.53 0.59 -0.60 6.82 2.07 -1.90 0.30 116.25 124.07 2qtg h VAL 93 Ca 0.07 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2qtg h VAL 93 Cb 0.78 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2qtg h VAL 93 CO 0.06 0.07 0.16 -0.65 0.02 0.00 0.00 177.57 177.23 2qtg h PRO 94 N -0.76 0.92 -0.69 1.57 0.11 -1.84 -0.33 132.00 130.97 2qtg h PRO 94 Ca -0.05 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 2qtg h PRO 94 Cb 0.52 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 2qtg h PRO 94 CO 0.09 0.81 0.37 0.00 -0.21 0.00 0.00 178.00 179.05 2qtg h ALA 95 N 1.29 0.89 -0.83 -0.75 0.00 -1.46 -1.48 119.26 116.92 2qtg h ALA 95 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2qtg h ALA 95 Cb 0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2qtg h ALA 95 CO -0.00 0.42 0.37 0.66 0.00 0.00 0.00 179.25 180.70 2qtg h SER 96 N 0.95 1.11 -0.25 0.00 4.64 -0.49 -2.49 113.55 117.02 2qtg h SER 96 Ca 0.24 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 2qtg h SER 96 Cb 0.06 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2qtg h SER 96 CO -0.04 0.95 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.74 2qtg h LEU 97 N 1.19 0.49 -1.13 5.97 3.38 -0.38 -1.49 115.31 123.34 2qtg h LEU 97 Ca 0.28 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2qtg h LEU 97 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2qtg h LEU 97 CO -0.03 0.75 -0.43 0.16 0.09 0.00 0.00 178.44 178.97 2qtg h ILE 98 N 0.23 1.29 -0.41 1.22 3.07 -1.29 0.48 117.51 122.09 2qtg h ILE 98 Ca 0.06 -1.49 -0.04 0.00 1.55 0.00 0.00 64.86 64.94 2qtg h ILE 98 Cb 0.53 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.88 2qtg h ILE 98 CO 0.03 0.42 0.10 0.74 -1.05 0.00 0.00 178.15 178.39 2qtg h THR 99 N 0.00 1.23 0.04 0.16 2.02 -1.31 -0.68 112.91 114.37 2qtg h THR 99 Ca -0.00 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2qtg h THR 99 Cb 0.77 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2qtg h THR 99 CO 0.06 0.28 -0.02 0.15 0.37 0.00 0.00 175.52 176.35 2qtg h PHE 100 N 0.53 -0.05 -0.35 3.16 3.57 -0.85 -2.32 116.94 120.62 2qtg h PHE 100 Ca 0.13 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2qtg h PHE 100 Cb 0.32 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2qtg h PHE 100 CO 0.02 0.30 -0.26 0.00 -2.23 0.00 0.00 178.31 176.14 2qtg h ALA 101 N 0.51 0.88 -0.34 2.41 0.00 -0.93 -2.06 119.26 119.75 2qtg h ALA 101 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2qtg h ALA 101 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qtg h ALA 101 CO 0.01 0.63 -0.38 0.66 0.00 0.00 0.00 179.25 180.17 2qtg h SER 102 N 0.62 0.84 -0.06 0.00 4.64 -1.14 -2.10 113.55 116.36 2qtg h SER 102 Ca 0.08 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2qtg h SER 102 Cb 0.76 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2qtg h SER 102 CO 0.06 1.12 0.03 0.40 -0.87 0.00 0.00 176.83 177.57 2qtg h ILE 103 N 0.65 1.11 -0.95 0.95 2.04 -1.29 0.53 117.51 120.56 2qtg h ILE 103 Ca 0.06 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.61 2qtg h ILE 103 Cb 0.93 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2qtg h ILE 103 CO 0.09 0.09 0.63 1.56 0.00 0.00 0.00 178.15 180.51 2qtg h GLN 104 N -0.03 1.24 0.16 2.37 1.08 -1.37 0.11 115.11 118.68 2qtg h GLN 104 Ca 0.02 -0.07 -0.30 0.00 -1.45 0.00 0.00 58.65 56.84 2qtg h GLN 104 Cb 0.12 -0.28 0.03 0.00 -0.05 0.00 0.00 27.48 27.30 2qtg h GLN 104 CO -0.00 0.82 -1.29 0.00 -0.95 0.00 0.00 178.83 177.41 2qtg h ALA 105 N 1.41 -0.06 0.00 3.87 0.00 -1.28 -3.40 119.26 119.81 2qtg h ALA 105 Ca 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qtg h ALA 105 Cb -0.14 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qtg h ALA 105 CO -0.08 0.66 -1.28 1.28 0.00 0.00 0.00 179.25 179.84 2qtg n LEU 106 N -3.80 0.19 -3.99 0.00 4.77 0.17 -5.04 117.00 109.31 2qtg n LEU 106 Ca -0.15 -0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.27 2qtg n LEU 106 Cb 1.01 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.11 2qtg n LEU 106 CO 0.58 0.05 -0.17 0.29 -1.33 0.00 0.00 177.39 176.81 2qtg n LYS 107 N -1.75 -0.73 -1.29 3.23 5.02 0.39 -4.93 118.16 118.11 2qtg n LYS 107 Ca -0.01 0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 56.17 2qtg n LYS 107 Cb 0.30 -3.15 0.10 0.00 -0.02 0.00 0.00 35.03 32.26 2qtg n LYS 107 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qtg s PRO 108 N -7.01 2.04 0.19 1.97 0.04 -1.26 -4.96 135.00 126.01 2qtg s PRO 108 Ca 0.42 1.03 0.11 0.00 0.04 0.00 0.00 61.00 62.60 2qtg s PRO 108 Cb -0.21 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 2qtg s PRO 108 CO 0.94 -1.75 1.33 -0.44 0.04 0.00 0.00 177.00 177.12 2qtg h ASP 109 N -1.20 0.00 -3.86 6.66 3.32 -1.22 -3.47 116.42 116.64 2qtg h ASP 109 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 2qtg h ASP 109 Cb 1.24 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.55 2qtg h ASP 109 CO 0.53 0.75 -0.25 -0.51 -1.72 0.00 0.00 179.24 178.03 2qtg s ILE 110 N -2.83 -0.00 -0.14 0.35 2.07 -1.19 -4.14 121.20 115.31 2qtg s ILE 110 Ca 0.02 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.20 2qtg s ILE 110 Cb 0.09 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 2qtg s ILE 110 CO 0.78 0.00 0.08 -0.63 -1.91 0.00 0.00 174.94 173.26 2qtg s ILE 111 N 0.24 4.96 -0.23 2.00 -1.09 0.12 -2.29 121.20 124.91 2qtg s ILE 111 Ca -0.00 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 2qtg s ILE 111 Cb -0.03 -3.18 0.05 0.00 -1.58 0.00 0.00 42.46 37.72 2qtg s ILE 111 CO 0.00 0.55 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.52 2qtg s ILE 112 N -0.41 1.87 -0.43 2.92 1.01 0.16 -0.78 121.20 125.54 2qtg s ILE 112 Ca 0.10 -1.29 -0.20 0.00 0.00 0.00 0.00 60.65 59.26 2qtg s ILE 112 Cb -0.12 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2qtg s ILE 112 CO 0.02 0.08 0.63 0.21 0.00 0.00 0.00 174.94 175.88 2qtg s ASN 113 N 1.27 6.32 -0.09 3.58 3.04 -0.36 -0.44 114.94 128.26 2qtg s ASN 113 Ca -0.04 -0.32 0.04 0.00 0.04 0.00 0.00 52.86 52.57 2qtg s ASN 113 Cb -0.18 -2.31 -0.01 0.00 -1.54 0.00 0.00 41.25 37.21 2qtg s ASN 113 CO -0.07 -0.75 -0.22 0.00 -3.04 0.00 0.00 177.10 173.02 2qtg s ALA 114 N 2.76 2.28 -0.04 1.71 0.00 -0.92 -1.44 121.76 126.11 2qtg s ALA 114 Ca 0.22 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 2qtg s ALA 114 Cb -0.14 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.19 2qtg s ALA 114 CO 0.18 0.32 1.15 0.41 0.00 0.00 0.00 175.76 177.83 2qtg n GLY 115 N 3.35 0.21 3.92 0.00 0.00 -0.38 -4.48 105.19 107.81 2qtg n GLY 115 Ca -0.18 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 2qtg n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qtg s THR 116 N -2.02 3.19 0.09 2.61 -4.23 -1.26 0.26 115.64 114.27 2qtg s THR 116 Ca 0.27 -0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.45 2qtg s THR 116 Cb -0.00 -3.30 0.08 0.00 1.34 0.00 0.00 72.50 70.62 2qtg s THR 116 CO -0.01 -0.32 0.72 0.00 -0.54 0.00 0.00 174.62 174.47 2qtg s GLY 118 N -2.62 2.29 0.08 0.00 0.00 0.56 -0.71 107.32 106.91 2qtg s GLY 118 Ca 0.02 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.22 2qtg s GLY 118 CO -0.11 0.77 -0.06 -0.32 0.00 0.00 0.00 173.10 173.38 2qtg s GLY 119 N -2.47 0.65 -0.27 0.20 0.00 -0.16 -1.06 107.32 104.20 2qtg s GLY 119 Ca 0.65 -1.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.07 2qtg s GLY 119 CO 0.28 -1.26 0.32 -1.36 0.00 0.00 0.00 173.10 171.09 2qtg s PHE 120 N -3.05 3.24 0.25 1.90 0.40 -0.29 -1.47 117.98 118.97 2qtg s PHE 120 Ca 0.05 0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 2qtg s PHE 120 Cb 0.01 -2.52 0.50 0.00 0.51 0.00 0.00 43.02 41.53 2qtg s PHE 120 CO -0.04 -0.21 1.68 0.87 0.70 0.00 0.00 175.22 178.22 2qtg h LYS 121 N 8.24 0.28 0.00 0.44 1.57 -1.91 0.27 116.57 125.46 2qtg h LYS 121 Ca -0.33 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2qtg h LYS 121 Cb 1.17 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2qtg h LYS 121 CO 0.62 0.18 -0.02 -0.39 -0.57 0.00 0.00 179.45 179.27 2qtg h VAL 122 N 0.28 0.21 -0.46 0.50 -1.51 -1.93 0.12 116.25 113.46 2qtg h VAL 122 Ca 0.44 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 2qtg h VAL 122 Cb 0.76 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2qtg h VAL 122 CO -0.52 0.02 0.00 0.29 -1.23 0.00 0.00 177.57 176.13 2qtg n LYS 123 N -3.33 2.34 -0.61 5.19 4.76 0.03 -4.92 118.16 121.62 2qtg n LYS 123 Ca -0.02 -2.05 0.00 0.00 -2.87 0.00 0.00 58.31 53.37 2qtg n LYS 123 Cb 0.14 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2qtg n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qtg n GLY 124 N 1.43 0.65 3.76 0.72 0.00 0.41 -5.01 105.19 107.14 2qtg n GLY 124 Ca 0.19 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2qtg n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtg s ALA 125 N -2.00 3.38 0.11 4.61 0.00 -0.90 -4.99 121.76 121.97 2qtg s ALA 125 Ca 0.00 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.56 2qtg s ALA 125 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2qtg s ALA 125 CO 0.00 0.24 -0.16 -0.80 0.00 0.00 0.00 175.76 175.04 2qtg s ASN 126 N -1.18 2.07 0.12 0.00 0.01 -1.26 -4.01 114.94 110.69 2qtg s ASN 126 Ca 0.39 -0.73 -0.34 0.00 -0.71 0.00 0.00 52.86 51.48 2qtg s ASN 126 Cb -0.25 -0.08 -0.13 0.00 0.41 0.00 0.00 41.25 41.19 2qtg s ASN 126 CO 0.30 -0.07 1.65 -0.38 -1.51 0.00 0.00 177.10 177.08 2qtg n ILE 127 N 0.85 0.12 0.00 0.60 2.08 -1.26 -2.41 119.36 119.33 2qtg n ILE 127 Ca -0.18 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.11 2qtg n ILE 127 Cb 0.55 -1.64 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 2qtg n ILE 127 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qtg n GLY 128 N 3.64 2.64 3.75 7.39 0.00 -0.27 -5.00 105.19 117.34 2qtg n GLY 128 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qtg n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qtg s ASP 129 N -1.31 6.35 -0.31 1.61 1.01 -1.01 -4.75 116.67 118.26 2qtg s ASP 129 Ca 0.00 2.97 -0.06 0.00 0.71 0.00 0.00 52.55 56.17 2qtg s ASP 129 Cb 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.32 2qtg s ASP 129 CO 0.00 -0.93 0.07 -0.69 0.21 0.00 0.00 175.17 173.82 2qtg s VAL 130 N 0.05 3.70 0.02 -1.27 1.01 -1.26 -0.66 120.40 121.98 2qtg s VAL 130 Ca 0.64 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2qtg s VAL 130 Cb -0.48 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2qtg s VAL 130 CO 0.48 -0.02 0.25 -0.36 0.00 0.00 0.00 175.10 175.45 2qtg s PHE 131 N 1.42 3.56 0.45 5.22 0.40 0.16 -4.34 117.98 124.86 2qtg s PHE 131 Ca 0.00 0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 56.66 2qtg s PHE 131 Cb -0.18 -1.94 -0.09 0.00 0.51 0.00 0.00 43.02 41.32 2qtg s PHE 131 CO 0.01 0.61 0.91 -1.17 0.70 0.00 0.00 175.22 176.28 2qtg s LEU 132 N -1.91 3.81 -0.18 -0.37 2.96 0.45 -1.16 118.68 122.28 2qtg s LEU 132 Ca 0.29 1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 55.66 2qtg s LEU 132 Cb -0.13 -4.39 -0.03 0.00 0.50 0.00 0.00 46.19 42.14 2qtg s LEU 132 CO 0.18 -0.44 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.06 2qtg s VAL 133 N -2.37 3.92 -0.08 1.68 1.01 -1.21 -2.71 120.40 120.63 2qtg s VAL 133 Ca 0.58 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 2qtg s VAL 133 Cb -0.10 -2.75 -0.20 0.00 0.00 0.00 0.00 36.38 33.33 2qtg s VAL 133 CO 0.24 0.46 0.89 0.77 0.00 0.00 0.00 175.10 177.46 2qtg h SER 134 N 7.13 -0.05 -5.13 3.32 4.64 -1.74 -3.42 113.55 118.30 2qtg h SER 134 Ca -0.34 -0.64 -0.00 0.00 -0.47 0.00 0.00 61.79 60.34 2qtg h SER 134 Cb 1.18 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2qtg h SER 134 CO 0.62 0.67 0.05 1.51 -0.87 0.00 0.00 176.83 178.81 2qtg s ASP 135 N -5.85 -0.14 0.02 4.97 1.47 -1.26 -1.71 116.67 114.17 2qtg s ASP 135 Ca -0.15 -0.81 0.01 0.00 1.18 0.00 0.00 52.55 52.77 2qtg s ASP 135 Cb -0.01 0.66 -0.02 0.00 -0.34 0.00 0.00 42.92 43.22 2qtg s ASP 135 CO 0.59 -1.26 -0.04 0.54 0.68 0.00 0.00 175.17 175.69 2qtg s VAL 136 N -3.89 0.19 0.23 2.11 0.11 0.42 -0.95 120.40 118.62 2qtg s VAL 136 Ca 0.17 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 2qtg s VAL 136 Cb -0.03 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2qtg s VAL 136 CO 0.08 -0.35 0.16 0.68 -3.33 0.00 0.00 175.10 172.35 2qtg s VAL 137 N -1.10 0.00 -0.02 2.04 -7.23 -0.08 -1.52 120.40 112.50 2qtg s VAL 137 Ca -0.11 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 2qtg s VAL 137 Cb -0.08 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 2qtg s VAL 137 CO -0.00 0.00 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.40 2qtg s PHE 138 N -4.02 3.03 -1.97 2.82 0.40 0.40 -0.45 117.98 118.18 2qtg s PHE 138 Ca 0.39 0.06 0.19 0.00 -0.60 0.00 0.00 56.93 56.97 2qtg s PHE 138 Cb 0.06 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.97 2qtg s PHE 138 CO 0.15 0.43 1.01 -2.39 0.70 0.00 0.00 175.22 175.12 2qtg n HIS 139 N 1.59 0.00 -1.41 0.36 1.44 -0.49 -4.53 115.22 112.19 2qtg n HIS 139 Ca -0.16 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.63 2qtg n HIS 139 Cb 0.53 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.78 2qtg n HIS 139 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2qtg n ASP 140 N 0.34 1.85 -3.78 4.39 5.75 -1.26 -4.58 116.55 119.25 2qtg n ASP 140 Ca 0.09 -3.19 -0.29 0.00 -0.01 0.00 0.00 54.79 51.40 2qtg n ASP 140 Cb 0.43 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 2qtg n ASP 140 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qtg n ARG 141 N -1.09 2.17 -3.27 0.11 1.74 -1.26 -5.02 116.66 110.04 2qtg n ARG 141 Ca 0.15 -4.55 -0.44 0.00 -0.77 0.00 0.00 57.85 52.24 2qtg n ARG 141 Cb 0.69 -2.30 -0.07 0.00 -1.02 0.00 0.00 32.46 29.76 2qtg n ARG 141 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2qtg s ARG 142 N -1.79 3.06 -0.40 5.56 0.52 -1.26 -3.94 118.95 120.70 2qtg s ARG 142 Ca 0.30 -1.05 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 2qtg s ARG 142 Cb 0.01 -4.09 0.12 0.00 0.52 0.00 0.00 34.95 31.50 2qtg s ARG 142 CO -0.12 -1.10 0.15 0.42 0.02 0.00 0.00 175.30 174.68 2qtg s ILE 143 N 2.18 1.94 -0.35 1.52 1.01 -1.26 -5.03 121.20 121.21 2qtg s ILE 143 Ca 0.10 -2.49 -0.07 0.00 0.00 0.00 0.00 60.65 58.20 2qtg s ILE 143 Cb -0.21 -2.39 -0.22 0.00 0.01 0.00 0.00 42.46 39.64 2qtg s ILE 143 CO 0.10 -0.73 3.39 -0.81 0.00 0.00 0.00 174.94 176.89 2qtg n PRO 144 N 3.90 2.30 -5.15 2.79 -0.04 -1.26 -1.72 135.00 135.82 2qtg n PRO 144 Ca 0.04 -1.23 -0.29 0.00 -0.04 0.00 0.00 63.50 61.98 2qtg n PRO 144 Cb 0.38 -2.16 -0.16 0.00 -0.04 0.00 0.00 33.50 31.52 2qtg n PRO 144 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qtg s ILE 145 N 1.33 1.83 0.31 0.52 1.01 -1.26 -5.00 121.20 119.94 2qtg s ILE 145 Ca 0.65 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 2qtg s ILE 145 Cb 0.28 -1.52 -0.11 0.00 0.01 0.00 0.00 42.46 41.13 2qtg s ILE 145 CO -0.01 0.51 1.46 -2.84 0.00 0.00 0.00 174.94 174.06 2qtg s PRO 146 N -0.55 4.21 0.00 2.79 0.02 -1.26 -0.38 135.00 139.82 2qtg s PRO 146 Ca 0.09 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2qtg s PRO 146 Cb -0.09 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.39 2qtg s PRO 146 CO -0.01 -0.45 0.00 -1.33 -0.33 0.00 0.00 177.00 174.88 2qtg n MET 147 N 1.46 0.00 0.07 5.54 2.81 -1.26 -4.63 117.12 121.11 2qtg n MET 147 Ca 0.04 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.77 2qtg n MET 147 Cb 0.40 -1.96 -0.14 0.00 -0.71 0.00 0.00 33.22 30.80 2qtg n MET 147 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2qtg h PHE 148 N 0.00 0.46 -0.56 2.03 0.04 -1.67 -3.05 116.94 114.18 2qtg h PHE 148 Ca 0.00 -0.33 0.10 0.00 2.80 0.00 0.00 57.97 60.54 2qtg h PHE 148 Cb 0.00 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.05 2qtg h PHE 148 CO 0.00 1.36 0.12 0.38 -0.60 0.00 0.00 178.31 179.57 2qtg h ASP 149 N 0.07 0.01 -0.35 2.17 3.04 0.17 -0.72 116.42 120.81 2qtg h ASP 149 Ca -0.23 0.10 -0.10 0.00 -3.24 0.00 0.00 57.03 53.57 2qtg h ASP 149 Cb 2.01 0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 40.42 2qtg h ASP 149 CO 0.17 0.02 -0.13 -0.07 -2.04 0.00 0.00 179.24 177.19 2qtg h LEU 150 N 0.26 0.79 -0.75 0.15 3.38 -1.84 -2.57 115.31 114.73 2qtg h LEU 150 Ca 0.29 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2qtg h LEU 150 Cb 0.41 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2qtg h LEU 150 CO -0.37 0.94 0.47 0.22 0.09 0.00 0.00 178.44 179.79 2qtg h TYR 151 N 0.72 0.87 -0.27 1.13 3.20 -1.32 -1.41 116.97 119.89 2qtg h TYR 151 Ca 0.12 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 2qtg h TYR 151 Cb 0.62 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 2qtg h TYR 151 CO 0.03 0.49 -0.30 0.78 -1.64 0.00 0.00 178.16 177.52 2qtg h GLY 152 N 0.90 0.75 0.72 1.82 0.00 -0.93 -2.60 103.07 103.73 2qtg h GLY 152 Ca 0.30 -0.78 0.06 0.00 0.00 0.00 0.00 47.33 46.91 2qtg h GLY 152 CO -0.12 0.70 0.43 -2.08 0.00 0.00 0.00 176.54 175.47 2qtg h VAL 153 N 0.42 1.01 -4.97 4.60 2.07 -1.45 -3.40 116.25 114.53 2qtg h VAL 153 Ca 0.04 -0.27 -0.32 0.00 0.82 0.00 0.00 66.70 66.97 2qtg h VAL 153 Cb 0.88 0.14 0.12 0.00 -1.52 0.00 0.00 31.29 30.91 2qtg h VAL 153 CO 0.07 0.14 -0.56 0.61 0.02 0.00 0.00 177.57 177.85 2qtg n GLY 154 N -1.30 -0.27 3.66 2.17 0.00 -0.53 -0.46 105.19 108.46 2qtg n GLY 154 Ca 0.09 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qtg n GLY 154 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qtg s LEU 155 N -6.10 4.42 -0.01 0.99 2.96 -1.25 -4.46 118.68 115.23 2qtg s LEU 155 Ca 0.43 2.62 -0.01 0.00 -0.22 0.00 0.00 54.13 56.95 2qtg s LEU 155 Cb -0.19 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 42.98 2qtg s LEU 155 CO 0.60 -1.04 0.03 -0.13 -1.32 0.00 0.00 176.35 174.49 2qtg s ARG 156 N 4.39 0.02 0.01 1.98 0.52 -0.57 -4.98 118.95 120.32 2qtg s ARG 156 Ca 0.86 0.05 -0.20 0.00 -0.52 0.00 0.00 55.73 55.93 2qtg s ARG 156 Cb -0.42 -0.01 -0.06 0.00 0.52 0.00 0.00 34.95 34.99 2qtg s ARG 156 CO 0.40 -0.02 0.58 -0.65 0.02 0.00 0.00 175.30 175.63 2qtg s GLN 157 N 0.13 4.28 0.75 3.54 -1.52 -1.26 -0.44 119.66 125.14 2qtg s GLN 157 Ca -0.01 0.72 -0.14 0.00 -1.95 0.00 0.00 55.36 53.98 2qtg s GLN 157 Cb -0.01 -3.32 0.05 0.00 -0.22 0.00 0.00 33.01 29.51 2qtg s GLN 157 CO -0.00 0.44 1.16 0.00 -0.25 0.00 0.00 175.29 176.63 2qtg s ALA 158 N -0.41 2.11 0.17 6.09 0.00 -0.69 -4.93 121.76 124.09 2qtg s ALA 158 Ca 0.30 0.69 -0.33 0.00 0.00 0.00 0.00 51.96 52.62 2qtg s ALA 158 Cb -0.18 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 2qtg s ALA 158 CO 0.17 -1.88 1.64 0.34 0.00 0.00 0.00 175.76 176.03 2qtg n PHE 159 N -2.99 2.42 -1.78 0.00 7.35 0.34 -4.89 117.46 117.91 2qtg n PHE 159 Ca 0.12 0.18 -0.43 0.00 -0.76 0.00 0.00 57.45 56.57 2qtg n PHE 159 Cb 0.51 -2.59 -0.03 0.00 0.35 0.00 0.00 39.48 37.72 2qtg n PHE 159 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2qtg s SER 160 N 1.13 5.90 -0.54 -2.13 0.15 -1.26 -4.87 113.70 112.08 2qtg s SER 160 Ca 0.78 1.91 0.07 0.00 0.70 0.00 0.00 55.95 59.41 2qtg s SER 160 Cb -0.62 -2.52 0.31 0.00 -1.71 0.00 0.00 66.02 61.47 2qtg s SER 160 CO 0.37 -1.60 0.81 0.35 1.20 0.00 0.00 173.24 174.36 2qtg n THR 161 N 6.99 1.89 0.07 6.45 -2.24 -1.26 -4.82 114.28 121.36 2qtg n THR 161 Ca 0.25 -5.14 0.01 0.00 -2.27 0.00 0.00 64.05 56.89 2qtg n THR 161 Cb 0.44 -1.44 0.32 0.00 -2.10 0.00 0.00 70.33 67.56 2qtg n THR 161 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2qtg h PRO 162 N 3.42 0.36 -0.25 -0.78 0.13 -1.93 -1.34 132.00 131.61 2qtg h PRO 162 Ca 0.14 -0.09 -0.19 0.00 -0.87 0.00 0.00 66.00 64.99 2qtg h PRO 162 Cb 0.67 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2qtg h PRO 162 CO 0.73 0.49 -0.57 -0.91 -0.23 0.00 0.00 178.00 177.51 2qtg h ASN 163 N 0.34 0.93 0.10 1.44 2.35 -1.94 0.56 115.58 119.37 2qtg h ASN 163 Ca 0.07 -0.56 -0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2qtg h ASN 163 Cb 0.43 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2qtg h ASN 163 CO 0.02 1.32 -0.06 0.25 -1.65 0.00 0.00 177.43 177.32 2qtg h LEU 164 N 0.59 -0.14 -0.19 1.61 6.46 -1.82 0.20 115.31 122.02 2qtg h LEU 164 Ca -0.00 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 2qtg h LEU 164 Cb 1.19 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 41.09 2qtg h LEU 164 CO 0.13 -0.09 -0.41 0.25 -0.62 0.00 0.00 178.44 177.69 2qtg h LEU 165 N -0.15 -1.31 0.26 2.25 5.85 -1.12 -0.76 115.31 120.33 2qtg h LEU 165 Ca -0.01 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2qtg h LEU 165 Cb 0.12 0.54 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2qtg h LEU 165 CO 0.02 -0.41 -0.12 0.50 -0.34 0.00 0.00 178.44 178.08 2qtg h LYS 166 N -0.45 -0.33 -0.11 1.25 1.63 -0.76 -1.53 116.57 116.27 2qtg h LYS 166 Ca 0.09 0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.74 2qtg h LYS 166 Cb 0.61 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2qtg h LYS 166 CO -0.43 -0.21 -0.66 1.49 -3.45 0.00 0.00 179.45 176.18 2qtg h GLU 167 N -0.35 0.43 0.00 1.90 4.57 -0.52 -2.94 114.58 117.67 2qtg h GLU 167 Ca -0.04 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2qtg h GLU 167 Cb 0.27 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2qtg h GLU 167 CO 0.06 0.94 -0.47 1.28 -1.18 0.00 0.00 179.01 179.64 2qtg n LEU 168 N -3.88 0.53 -3.43 1.64 4.32 -0.30 -4.97 117.00 110.91 2qtg n LEU 168 Ca -0.04 0.18 -0.18 0.00 -0.02 0.00 0.00 56.01 55.96 2qtg n LEU 168 Cb 0.67 -0.26 0.07 0.00 -1.62 0.00 0.00 43.42 42.28 2qtg n LEU 168 CO 0.47 0.02 0.05 -3.20 -1.22 0.00 0.00 177.39 173.51 2qtg n ASN 169 N -1.78 -3.54 -4.82 -1.43 5.15 -0.59 -4.98 115.26 103.26 2qtg n ASN 169 Ca 0.05 -0.70 -0.38 0.00 -0.60 0.00 0.00 54.58 52.95 2qtg n ASN 169 Cb 0.38 -4.90 -0.06 0.00 -0.53 0.00 0.00 39.78 34.67 2qtg n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qtg s LEU 170 N -6.11 4.47 0.65 1.20 1.43 -1.10 -5.07 118.68 114.16 2qtg s LEU 170 Ca 0.17 1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 2qtg s LEU 170 Cb -0.03 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 2qtg s LEU 170 CO 0.75 0.23 1.30 -0.54 0.23 0.00 0.00 176.35 178.32 2qtg s LYS 171 N -1.34 2.55 0.02 1.70 1.02 -1.26 -4.85 119.74 117.58 2qtg s LYS 171 Ca 0.31 2.07 0.01 0.00 0.02 0.00 0.00 55.97 58.38 2qtg s LYS 171 Cb -0.18 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 2qtg s LYS 171 CO 0.19 -1.60 -0.04 -1.50 -0.92 0.00 0.00 175.35 171.48 2qtg s ILE 172 N -1.39 0.24 0.09 2.17 2.07 -1.26 -0.41 121.20 122.70 2qtg s ILE 172 Ca 0.83 -0.63 -0.26 0.00 -1.41 0.00 0.00 60.65 59.17 2qtg s ILE 172 Cb -0.38 -0.30 0.09 0.00 0.13 0.00 0.00 42.46 42.00 2qtg s ILE 172 CO 0.40 -0.26 1.12 -0.83 -1.91 0.00 0.00 174.94 173.46 2qtg s GLY 173 N -0.94 -0.19 0.19 1.50 0.00 -1.10 -4.94 107.32 101.84 2qtg s GLY 173 Ca -0.08 0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 2qtg s GLY 173 CO -0.00 1.31 1.01 -1.60 0.00 0.00 0.00 173.10 173.82 2qtg s ARG 174 N -2.58 4.71 -0.19 2.90 3.52 -1.26 -1.89 118.95 124.16 2qtg s ARG 174 Ca 0.17 1.58 -0.11 0.00 -0.13 0.00 0.00 55.73 57.24 2qtg s ARG 174 Cb 0.00 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 2qtg s ARG 174 CO 0.01 0.27 0.19 -1.17 -0.81 0.00 0.00 175.30 173.78 2qtg s LEU 175 N -0.63 4.22 -0.17 -0.88 2.96 -0.12 -1.22 118.68 122.83 2qtg s LEU 175 Ca 0.45 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2qtg s LEU 175 Cb -0.27 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 2qtg s LEU 175 CO 0.33 0.15 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.84 2qtg s SER 176 N 0.42 3.90 -0.13 3.68 0.15 0.51 -0.90 113.70 121.33 2qtg s SER 176 Ca 0.11 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.30 2qtg s SER 176 Cb -0.12 -1.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 2qtg s SER 176 CO 0.00 0.06 -0.01 -0.89 1.20 0.00 0.00 173.24 173.60 2qtg s THR 177 N 0.98 4.16 0.30 6.45 2.01 0.40 -1.84 115.64 128.09 2qtg s THR 177 Ca -0.02 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2qtg s THR 177 Cb -0.15 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2qtg s THR 177 CO -0.01 0.53 0.55 -0.83 -0.69 0.00 0.00 174.62 174.17 2qtg s GLY 178 N -0.10 0.66 0.00 4.40 0.00 -0.69 -1.39 107.32 110.20 2qtg s GLY 178 Ca 0.03 -0.95 0.16 0.00 0.00 0.00 0.00 44.72 43.96 2qtg s GLY 178 CO 0.02 -0.60 1.42 1.22 0.00 0.00 0.00 173.10 175.16 2qtg n ASP 179 N -0.79 1.45 -4.55 1.64 8.00 -1.26 -3.74 116.55 117.29 2qtg n ASP 179 Ca -0.02 -1.80 -0.32 0.00 0.71 0.00 0.00 54.79 53.36 2qtg n ASP 179 Cb 0.61 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 2qtg n ASP 179 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qtg s SER 180 N -1.33 4.37 0.09 -2.24 0.01 -1.26 -4.96 113.70 108.38 2qtg s SER 180 Ca 0.26 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2qtg s SER 180 Cb 0.14 -0.95 -0.24 0.00 0.21 0.00 0.00 66.02 65.18 2qtg s SER 180 CO 0.20 0.29 1.19 0.25 0.41 0.00 0.00 173.24 175.59 2qtg h LEU 181 N 4.67 0.17 0.00 2.44 5.85 -1.95 -3.46 115.31 123.03 2qtg h LEU 181 Ca -0.48 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2qtg h LEU 181 Cb 1.16 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2qtg h LEU 181 CO 0.52 1.15 0.00 -0.90 -0.34 0.00 0.00 178.44 178.87 2qtg n ASP 182 N -3.41 0.00 -3.60 1.25 5.75 -1.26 -4.92 116.55 110.36 2qtg n ASP 182 Ca -0.04 -0.30 -0.16 0.00 -0.01 0.00 0.00 54.79 54.28 2qtg n ASP 182 Cb 0.98 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.93 2qtg n ASP 182 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2qtg s MET 183 N -0.59 0.14 0.91 0.11 1.75 -1.26 -5.09 119.30 115.27 2qtg s MET 183 Ca 0.00 0.52 -0.14 0.00 -1.25 0.00 0.00 55.69 54.82 2qtg s MET 183 Cb 0.00 -0.49 0.16 0.00 2.84 0.00 0.00 34.83 37.34 2qtg s MET 183 CO 0.00 -0.43 1.26 -1.54 -0.65 0.00 0.00 175.02 173.67 2qtg s SER 184 N 2.37 3.60 0.11 1.11 1.04 -1.26 -4.82 113.70 115.85 2qtg s SER 184 Ca 0.04 0.48 -0.21 0.00 0.48 0.00 0.00 55.95 56.74 2qtg s SER 184 Cb -0.13 -0.70 -0.09 0.00 0.10 0.00 0.00 66.02 65.19 2qtg s SER 184 CO -0.09 -2.45 1.76 0.74 0.98 0.00 0.00 173.24 174.18 2qtg h THR 185 N -1.44 1.01 -0.74 2.02 2.02 -2.01 -1.07 112.91 112.70 2qtg h THR 185 Ca -0.45 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 2qtg h THR 185 Cb 1.27 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2qtg h THR 185 CO 0.49 0.03 0.22 1.56 0.37 0.00 0.00 175.52 178.19 2qtg h GLN 186 N 0.16 1.16 -0.07 6.66 7.50 -1.98 -1.01 115.11 127.53 2qtg h GLN 186 Ca 0.05 -0.25 0.03 0.00 0.50 0.00 0.00 58.65 58.98 2qtg h GLN 186 Cb -0.00 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.33 2qtg h GLN 186 CO -0.03 0.99 -0.15 -0.44 -1.50 0.00 0.00 178.83 177.70 2qtg h ASP 187 N 1.11 -0.45 -1.00 1.46 3.32 -1.78 -2.44 116.42 116.65 2qtg h ASP 187 Ca 0.24 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.38 2qtg h ASP 187 Cb 0.32 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 2qtg h ASP 187 CO -0.01 -0.20 0.66 -0.08 -1.72 0.00 0.00 179.24 177.90 2qtg h GLU 188 N -0.21 1.30 -0.34 3.56 4.81 -0.63 -1.22 114.58 121.85 2qtg h GLU 188 Ca 0.07 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2qtg h GLU 188 Cb 0.31 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2qtg h GLU 188 CO -0.19 0.86 0.12 1.15 -0.73 0.00 0.00 179.01 180.22 2qtg h THR 189 N 1.34 0.91 -0.32 0.32 2.02 -0.97 -1.69 112.91 114.52 2qtg h THR 189 Ca 0.37 -0.09 -0.18 0.00 0.77 0.00 0.00 66.41 67.28 2qtg h THR 189 Cb -0.12 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2qtg h THR 189 CO -0.09 0.05 -0.51 -0.07 0.37 0.00 0.00 175.52 175.27 2qtg h LEU 190 N 0.27 0.99 -0.30 2.58 3.38 -1.10 -1.23 115.31 119.90 2qtg h LEU 190 Ca 0.15 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2qtg h LEU 190 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2qtg h LEU 190 CO -0.15 1.32 0.19 0.40 0.09 0.00 0.00 178.44 180.29 2qtg h ILE 191 N 0.70 1.07 -0.15 1.22 2.04 -1.10 0.12 117.51 121.41 2qtg h ILE 191 Ca 0.03 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2qtg h ILE 191 Cb 1.11 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2qtg h ILE 191 CO 0.12 0.07 0.08 0.40 0.00 0.00 0.00 178.15 178.81 2qtg h ILE 192 N 0.40 1.12 -0.67 -0.67 2.04 -1.32 -1.28 117.51 117.12 2qtg h ILE 192 Ca 0.11 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2qtg h ILE 192 Cb -0.04 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2qtg h ILE 192 CO -0.03 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.54 2qtg h ALA 193 N 0.95 1.28 -0.00 1.87 0.00 -0.91 0.20 119.26 122.65 2qtg h ALA 193 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qtg h ALA 193 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2qtg h ALA 193 CO -0.01 0.55 -0.00 0.09 0.00 0.00 0.00 179.25 179.88 2qtg n ASN 194 N -4.33 0.01 -3.68 0.00 3.02 0.40 -4.96 115.26 105.73 2qtg n ASN 194 Ca 0.06 -0.76 -0.26 0.00 -0.03 0.00 0.00 54.58 53.60 2qtg n ASN 194 Cb 0.14 -0.08 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 2qtg n ASN 194 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qtg n ASP 195 N -1.07 -5.96 -4.78 6.41 2.03 0.06 -4.95 116.55 108.29 2qtg n ASP 195 Ca 0.21 -0.60 -0.37 0.00 0.52 0.00 0.00 54.79 54.55 2qtg n ASP 195 Cb 0.15 -4.75 -0.03 0.00 -0.72 0.00 0.00 41.12 35.77 2qtg n ASP 195 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qtg s ALA 196 N -3.32 3.09 -0.07 -1.67 0.00 -0.82 -4.66 121.76 114.31 2qtg s ALA 196 Ca 0.60 0.79 0.13 0.00 0.00 0.00 0.00 51.96 53.49 2qtg s ALA 196 Cb -0.28 -3.31 -0.23 0.00 0.00 0.00 0.00 23.12 19.30 2qtg s ALA 196 CO 0.76 -0.34 0.57 2.41 0.00 0.00 0.00 175.76 179.15 2qtg n THR 197 N -0.08 1.57 -4.50 0.00 -1.04 -0.36 -4.86 114.28 105.02 2qtg n THR 197 Ca 0.05 -0.81 -0.24 0.00 -2.04 0.00 0.00 64.05 61.02 2qtg n THR 197 Cb 0.49 -0.94 -0.14 0.00 -1.82 0.00 0.00 70.33 67.92 2qtg n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qtg s LEU 198 N -5.99 2.19 -0.07 -4.42 1.43 -0.87 -1.13 118.68 109.82 2qtg s LEU 198 Ca -0.05 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2qtg s LEU 198 Cb 0.08 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.46 2qtg s LEU 198 CO 0.83 0.11 -0.07 -0.75 0.23 0.00 0.00 176.35 176.69 2qtg s LYS 199 N -1.29 1.26 0.00 1.70 2.20 -0.23 -0.36 119.74 123.02 2qtg s LYS 199 Ca 0.06 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2qtg s LYS 199 Cb -0.09 -1.20 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 2qtg s LYS 199 CO 0.02 -0.10 0.00 -0.40 -0.36 0.00 0.00 175.35 174.51 2qtg n ASP 200 N 4.24 0.00 0.00 1.43 5.75 -0.77 -0.33 116.55 126.88 2qtg n ASP 200 Ca -0.20 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 2qtg n ASP 200 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2qtg n ASP 200 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2qtg n MET 201 N 0.00 1.79 0.00 0.11 2.81 -1.25 -1.71 117.12 118.88 2qtg n MET 201 Ca 0.00 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2qtg n MET 201 Cb 0.00 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 2qtg n MET 201 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qtg n GLU 202 N -0.29 2.46 -0.12 0.03 4.71 -1.26 -2.22 120.64 123.95 2qtg n GLU 202 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 2qtg n GLU 202 Cb 0.05 -0.86 0.03 0.00 -1.01 0.00 0.00 31.44 29.65 2qtg n GLU 202 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2qtg h GLY 203 N 0.00 0.41 1.75 0.62 0.00 -1.96 -2.22 103.07 101.68 2qtg h GLY 203 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2qtg h GLY 203 CO 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 176.54 176.40 2qtg h ALA 204 N 1.33 1.53 -0.25 3.60 0.00 -1.92 -0.80 119.26 122.76 2qtg h ALA 204 Ca 0.19 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2qtg h ALA 204 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qtg h ALA 204 CO -0.31 0.34 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 2qtg h ALA 205 N 1.65 0.36 -0.28 0.00 0.00 -1.78 -0.79 119.26 118.41 2qtg h ALA 205 Ca 0.07 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.68 2qtg h ALA 205 Cb 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2qtg h ALA 205 CO 0.01 0.29 -0.12 0.28 0.00 0.00 0.00 179.25 179.71 2qtg h VAL 206 N 0.28 0.60 -0.73 0.00 2.07 -0.95 -2.41 116.25 115.11 2qtg h VAL 206 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 2qtg h VAL 206 Cb 0.75 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2qtg h VAL 206 CO 0.05 0.00 0.38 0.00 0.02 0.00 0.00 177.57 178.02 2qtg h ALA 207 N 1.16 1.01 -0.25 1.67 0.00 -1.12 -0.57 119.26 121.17 2qtg h ALA 207 Ca 0.15 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2qtg h ALA 207 Cb 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2qtg h ALA 207 CO -0.34 -0.02 0.04 -0.92 0.00 0.00 0.00 179.25 178.02 2qtg h TYR 208 N 0.64 0.06 -0.22 0.00 3.20 -0.83 0.95 116.97 120.77 2qtg h TYR 208 Ca 0.36 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 2qtg h TYR 208 Cb 0.36 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2qtg h TYR 208 CO -0.10 0.01 -0.11 0.28 -1.64 0.00 0.00 178.16 176.60 2qtg h VAL 209 N 0.13 1.30 -0.79 1.81 2.07 -1.05 0.90 116.25 120.62 2qtg h VAL 209 Ca 0.11 -1.18 0.12 0.00 0.82 0.00 0.00 66.70 66.57 2qtg h VAL 209 Cb 0.12 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 2qtg h VAL 209 CO -0.16 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.20 2qtg h ALA 210 N 0.71 1.15 0.26 1.67 0.00 -0.98 0.18 119.26 122.25 2qtg h ALA 210 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qtg h ALA 210 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qtg h ALA 210 CO 0.03 -0.05 -0.13 0.22 0.00 0.00 0.00 179.25 179.32 2qtg h ASP 211 N 0.63 -0.30 -1.02 0.00 3.58 -0.59 0.14 116.42 118.86 2qtg h ASP 211 Ca 0.41 -0.17 0.30 0.00 0.42 0.00 0.00 57.03 57.99 2qtg h ASP 211 Cb 0.51 0.08 -0.14 0.00 1.72 0.00 0.00 39.33 41.50 2qtg h ASP 211 CO -0.32 0.02 0.60 0.25 -2.88 0.00 0.00 179.24 176.91 2qtg h LEU 212 N -0.64 0.55 -2.59 2.28 5.85 -0.36 -1.55 115.31 118.84 2qtg h LEU 212 Ca -0.04 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qtg h LEU 212 Cb 0.46 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2qtg h LEU 212 CO 0.06 -0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.29 2qtg n LEU 213 N -4.96 3.34 -3.69 2.25 4.77 0.01 -5.00 117.00 113.72 2qtg n LEU 213 Ca 0.30 -1.80 -0.23 0.00 -0.03 0.00 0.00 56.01 54.25 2qtg n LEU 213 Cb 0.92 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2qtg n LEU 213 CO 0.13 0.80 0.04 0.29 -1.33 0.00 0.00 177.39 177.32 2qtg n LYS 214 N 1.15 -5.74 -4.82 3.23 4.76 0.24 -5.01 118.16 111.97 2qtg n LYS 214 Ca 0.18 0.68 -0.33 0.00 -2.87 0.00 0.00 58.31 55.97 2qtg n LYS 214 Cb 0.53 -5.46 -0.14 0.00 -1.84 0.00 0.00 35.03 28.11 2qtg n LYS 214 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qtg s ILE 215 N -3.48 2.98 -0.01 -0.18 -1.09 0.13 -5.03 121.20 114.52 2qtg s ILE 215 Ca 0.24 -0.69 -0.37 0.00 -2.23 0.00 0.00 60.65 57.59 2qtg s ILE 215 Cb -0.11 -2.24 -0.16 0.00 -1.58 0.00 0.00 42.46 38.37 2qtg s ILE 215 CO 0.79 0.53 1.47 -2.65 -1.23 0.00 0.00 174.94 173.85 2qtg n PRO 216 N 3.44 1.22 -5.27 2.79 -0.02 -1.26 -4.45 135.00 131.45 2qtg n PRO 216 Ca -0.18 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 2qtg n PRO 216 Cb 0.53 -2.11 -0.16 0.00 -0.02 0.00 0.00 33.50 31.74 2qtg n PRO 216 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qtg s VAL 217 N 1.38 2.07 0.06 -1.45 0.11 -1.26 -0.70 120.40 120.61 2qtg s VAL 217 Ca 0.88 -1.07 0.07 0.00 -2.93 0.00 0.00 61.98 58.93 2qtg s VAL 217 Cb -0.97 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 2qtg s VAL 217 CO 0.51 0.57 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.98 2qtg s VAL 218 N -0.30 1.51 0.02 2.04 1.01 0.03 -0.50 120.40 124.21 2qtg s VAL 218 Ca 0.01 -1.24 0.09 0.00 0.00 0.00 0.00 61.98 60.83 2qtg s VAL 218 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2qtg s VAL 218 CO 0.02 0.07 -0.25 -0.36 0.00 0.00 0.00 175.10 174.57 2qtg s PHE 219 N -0.93 2.25 -0.22 5.22 0.40 -1.26 -1.22 117.98 122.22 2qtg s PHE 219 Ca 0.05 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2qtg s PHE 219 Cb -0.09 -1.39 0.05 0.00 0.51 0.00 0.00 43.02 42.11 2qtg s PHE 219 CO 0.02 0.06 -0.07 -0.51 0.70 0.00 0.00 175.22 175.42 2qtg s LEU 220 N -0.98 2.48 -0.20 -0.37 1.43 -0.52 -3.33 118.68 117.19 2qtg s LEU 220 Ca 0.11 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 2qtg s LEU 220 Cb -0.10 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.95 2qtg s LEU 220 CO 0.01 -0.20 -0.15 -0.54 0.23 0.00 0.00 176.35 175.70 2qtg s LYS 221 N 1.39 2.50 -0.22 1.70 -0.14 -0.31 -1.25 119.74 123.40 2qtg s LYS 221 Ca -0.04 -0.94 -0.09 0.00 -1.36 0.00 0.00 55.97 53.54 2qtg s LYS 221 Cb -0.18 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 2qtg s LYS 221 CO -0.07 -0.36 0.11 0.00 -0.76 0.00 0.00 175.35 174.27 2qtg s ALA 222 N 1.29 3.42 -0.31 5.17 0.00 0.14 -0.67 121.76 130.80 2qtg s ALA 222 Ca -0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 2qtg s ALA 222 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.84 2qtg s ALA 222 CO -0.10 -0.16 1.15 0.08 0.00 0.00 0.00 175.76 176.73 2qtg s VAL 223 N 1.00 4.39 -0.40 0.00 1.01 0.17 -0.80 120.40 125.76 2qtg s VAL 223 Ca 0.05 1.60 0.22 0.00 0.00 0.00 0.00 61.98 63.85 2qtg s VAL 223 Cb -0.14 -4.34 -0.30 0.00 0.00 0.00 0.00 36.38 31.61 2qtg s VAL 223 CO 0.03 -0.48 0.64 0.35 0.00 0.00 0.00 175.10 175.65 2qtg n THR 224 N 5.97 0.00 -3.52 3.92 -2.24 0.11 -1.11 114.28 117.41 2qtg n THR 224 Ca 0.13 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 2qtg n THR 224 Cb 0.47 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2qtg n THR 224 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2qtg s ASP 225 N -3.94 -0.57 -0.35 3.42 -4.77 -1.24 -4.07 116.67 105.15 2qtg s ASP 225 Ca -0.02 0.50 -0.10 0.00 -3.30 0.00 0.00 52.55 49.63 2qtg s ASP 225 Cb 0.15 0.49 0.02 0.00 -1.09 0.00 0.00 42.92 42.49 2qtg s ASP 225 CO 0.89 -0.61 0.18 -0.76 0.70 0.00 0.00 175.17 175.58 2qtg s LEU 226 N -1.49 4.51 0.37 2.11 1.43 -1.26 -0.99 118.68 123.36 2qtg s LEU 226 Ca -0.06 -0.87 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 2qtg s LEU 226 Cb -0.00 -2.01 0.71 0.00 0.03 0.00 0.00 46.19 44.92 2qtg s LEU 226 CO 0.04 -0.33 1.89 0.58 0.23 0.00 0.00 176.35 178.76 2qtg h VAL 227 N 5.83 1.19 -0.47 -1.59 2.07 -1.63 -1.81 116.25 119.84 2qtg h VAL 227 Ca -0.27 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2qtg h VAL 227 Cb 1.11 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2qtg h VAL 227 CO 0.65 0.26 0.00 -0.90 0.02 0.00 0.00 177.57 177.60 2qtg n ASP 228 N -4.27 5.12 -1.14 0.57 5.75 -1.26 -4.96 116.55 116.36 2qtg n ASP 228 Ca -0.00 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.83 2qtg n ASP 228 Cb 0.27 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 2qtg n ASP 228 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qtg n GLY 229 N 0.26 1.34 0.45 6.12 0.00 -0.68 -4.90 105.19 107.77 2qtg n GLY 229 Ca 0.26 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.37 2qtg n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qtg n ASP 230 N -1.14 1.83 -4.81 1.61 5.68 -1.26 -4.96 116.55 113.50 2qtg n ASP 230 Ca 0.00 -1.42 -0.37 0.00 -0.50 0.00 0.00 54.79 52.50 2qtg n ASP 230 Cb 0.00 0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 40.21 2qtg n ASP 230 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2qtg s LYS 231 N -1.59 4.24 0.33 0.11 1.02 -1.26 -5.05 119.74 117.54 2qtg s LYS 231 Ca 0.15 0.81 -0.29 0.00 0.02 0.00 0.00 55.97 56.65 2qtg s LYS 231 Cb 0.12 -3.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.26 2qtg s LYS 231 CO 0.30 0.51 1.52 -2.30 -0.92 0.00 0.00 175.35 174.46 2qtg n PRO 232 N 1.18 2.60 -0.03 -1.68 -0.02 -1.26 -4.90 135.00 130.90 2qtg n PRO 232 Ca -0.06 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.25 2qtg n PRO 232 Cb 0.51 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 2qtg n PRO 232 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2qtg h THR 233 N 3.11 0.38 -0.36 3.45 2.02 -1.96 -1.56 112.91 117.99 2qtg h THR 233 Ca -0.48 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.71 2qtg h THR 233 Cb 1.24 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2qtg h THR 233 CO 0.72 0.00 0.22 0.00 0.37 0.00 0.00 175.52 176.83 2qtg h ALA 234 N 0.69 0.46 -0.33 6.16 0.00 -1.91 0.07 119.26 124.39 2qtg h ALA 234 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2qtg h ALA 234 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qtg h ALA 234 CO -0.36 -0.11 -0.19 0.93 0.00 0.00 0.00 179.25 179.52 2qtg h GLU 235 N 0.46 0.71 -0.19 0.00 3.07 -1.93 -2.22 114.58 114.49 2qtg h GLU 235 Ca 0.14 -0.33 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 2qtg h GLU 235 Cb -0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2qtg h GLU 235 CO -0.05 0.93 0.00 1.49 -1.40 0.00 0.00 179.01 179.98 2qtg h GLU 236 N 0.49 0.34 -0.68 2.33 4.81 -1.14 -1.69 114.58 119.04 2qtg h GLU 236 Ca 0.07 -0.11 0.14 0.00 -0.13 0.00 0.00 59.36 59.33 2qtg h GLU 236 Cb 0.73 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.99 2qtg h GLU 236 CO 0.05 0.54 0.16 0.35 -0.73 0.00 0.00 179.01 179.39 2qtg h PHE 237 N 0.09 0.26 -0.12 0.92 3.57 -0.99 -1.69 116.94 118.99 2qtg h PHE 237 Ca 0.05 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2qtg h PHE 237 Cb 0.39 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2qtg h PHE 237 CO 0.03 -0.05 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.83 2qtg h LEU 238 N 0.28 0.36 -1.43 0.59 3.38 -1.29 -2.44 115.31 114.76 2qtg h LEU 238 Ca 0.37 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qtg h LEU 238 Cb 0.59 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2qtg h LEU 238 CO -0.45 0.80 0.40 -0.61 0.09 0.00 0.00 178.44 178.67 2qtg h GLN 239 N -0.07 0.75 -0.01 1.13 4.15 -1.16 -3.03 115.11 116.87 2qtg h GLN 239 Ca 0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2qtg h GLN 239 Cb 0.72 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2qtg h GLN 239 CO 0.04 0.50 -0.37 0.09 -1.93 0.00 0.00 178.83 177.15 2qtg n ASN 240 N -4.45 1.79 -0.05 -0.69 3.02 -0.65 -4.60 115.26 109.63 2qtg n ASN 240 Ca 0.06 -1.37 -0.08 0.00 -0.03 0.00 0.00 54.58 53.17 2qtg n ASN 240 Cb 0.08 0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 2qtg n ASN 240 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2qtg h LEU 241 N 2.22 -0.35 -0.30 3.41 5.85 -1.31 -1.48 115.31 123.35 2qtg h LEU 241 Ca 0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2qtg h LEU 241 Cb 0.69 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2qtg h LEU 241 CO 0.00 -0.13 0.02 0.74 -0.34 0.00 0.00 178.44 178.73 2qtg h THR 242 N -0.07 1.25 -0.38 1.05 2.02 -1.81 -0.77 112.91 114.20 2qtg h THR 242 Ca 0.12 -0.88 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 2qtg h THR 242 Cb 0.25 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2qtg h THR 242 CO -0.27 0.29 -0.36 0.58 0.37 0.00 0.00 175.52 176.12 2qtg h VAL 243 N 0.32 1.27 -0.17 3.16 2.07 -1.85 -2.78 116.25 118.27 2qtg h VAL 243 Ca 0.09 -1.53 -0.18 0.00 0.82 0.00 0.00 66.70 65.90 2qtg h VAL 243 Cb 0.40 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2qtg h VAL 243 CO 0.01 0.51 -0.62 0.58 0.02 0.00 0.00 177.57 178.08 2qtg h VAL 244 N 0.74 1.32 -0.94 2.57 2.07 -1.24 -2.78 116.25 117.99 2qtg h VAL 244 Ca 0.07 -1.89 0.11 0.00 0.82 0.00 0.00 66.70 65.81 2qtg h VAL 244 Cb 0.94 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.48 2qtg h VAL 244 CO 0.09 0.59 0.57 0.74 0.02 0.00 0.00 177.57 179.57 2qtg h THR 245 N 0.43 0.91 -0.46 2.57 2.02 -1.11 0.59 112.91 117.86 2qtg h THR 245 Ca -0.01 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2qtg h THR 245 Cb 1.19 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2qtg h THR 245 CO 0.12 0.17 0.17 0.00 0.37 0.00 0.00 175.52 176.34 2qtg h ALA 246 N 1.51 0.61 -0.19 6.16 0.00 -1.34 1.00 119.26 127.00 2qtg h ALA 246 Ca 0.46 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2qtg h ALA 246 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2qtg h ALA 246 CO -0.27 0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.31 2qtg h ALA 247 N 1.02 0.23 -0.65 0.00 0.00 -1.18 -1.51 119.26 117.17 2qtg h ALA 247 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.18 2qtg h ALA 247 Cb 0.23 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2qtg h ALA 247 CO -0.01 -0.32 0.23 1.25 0.00 0.00 0.00 179.25 180.40 2qtg h LEU 248 N 0.21 0.20 0.17 0.00 5.85 -0.63 -1.90 115.31 119.22 2qtg h LEU 248 Ca 0.08 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2qtg h LEU 248 Cb 0.01 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2qtg h LEU 248 CO -0.05 0.11 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.99 2qtg h GLU 249 N 0.40 -0.24 -0.69 1.25 4.22 -0.44 0.42 114.58 119.50 2qtg h GLU 249 Ca 0.34 0.02 0.14 0.00 0.08 0.00 0.00 59.36 59.94 2qtg h GLU 249 Cb 0.47 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 2qtg h GLU 249 CO -0.35 -0.16 -0.10 0.78 -2.18 0.00 0.00 179.01 177.00 2qtg h GLY 250 N -0.25 0.61 0.66 1.92 0.00 -0.93 0.41 103.07 105.49 2qtg h GLY 250 Ca -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2qtg h GLY 250 CO 0.03 -0.26 -0.14 -0.84 0.00 0.00 0.00 176.54 175.33 2qtg h THR 251 N 0.04 1.38 -0.98 4.70 2.02 -1.17 -2.66 112.91 116.25 2qtg h THR 251 Ca 0.35 -1.38 0.11 0.00 0.77 0.00 0.00 66.41 66.26 2qtg h THR 251 Cb 0.56 2.07 -0.08 0.00 -1.74 0.00 0.00 68.15 68.97 2qtg h THR 251 CO -0.67 0.39 0.61 0.00 0.37 0.00 0.00 175.52 176.23 2qtg h ALA 252 N 0.53 1.45 -0.59 6.16 0.00 -0.61 -0.52 119.26 125.69 2qtg h ALA 252 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qtg h ALA 252 Cb 0.70 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2qtg h ALA 252 CO 0.03 0.24 0.37 1.15 0.00 0.00 0.00 179.25 181.04 2qtg h THR 253 N 1.00 1.17 -0.22 0.00 2.02 -0.87 -0.31 112.91 115.70 2qtg h THR 253 Ca 0.47 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 2qtg h THR 253 Cb 0.42 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2qtg h THR 253 CO -0.25 0.17 -0.25 0.11 0.37 0.00 0.00 175.52 175.67 2qtg h LYS 254 N 0.79 0.41 -0.18 6.66 1.57 -1.06 -1.64 116.57 123.12 2qtg h LYS 254 Ca 0.21 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2qtg h LYS 254 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qtg h LYS 254 CO -0.04 0.63 -0.04 0.28 -0.57 0.00 0.00 179.45 179.71 2qtg h VAL 255 N 0.36 1.28 -0.42 0.50 2.07 -0.68 -0.68 116.25 118.69 2qtg h VAL 255 Ca 0.06 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.64 2qtg h VAL 255 Cb 0.63 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 2qtg h VAL 255 CO 0.05 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.48 2qtg h ILE 256 N 0.07 0.87 -0.31 4.57 2.04 -0.97 0.44 117.51 124.22 2qtg h ILE 256 Ca 0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2qtg h ILE 256 Cb 0.47 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2qtg h ILE 256 CO 0.02 0.06 0.04 0.78 0.00 0.00 0.00 178.15 179.04 2qtg h ASN 257 N 0.32 0.43 -0.11 1.72 2.35 -1.19 -1.99 115.58 117.11 2qtg h ASN 257 Ca 0.19 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 2qtg h ASN 257 Cb 0.18 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2qtg h ASN 257 CO -0.20 0.47 -0.42 0.15 -1.65 0.00 0.00 177.43 175.78 2qtg h PHE 258 N 0.46 0.63 -0.49 1.19 3.04 -0.64 -3.22 116.94 117.91 2qtg h PHE 258 Ca 0.10 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 61.78 2qtg h PHE 258 Cb 0.24 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2qtg h PHE 258 CO 0.01 1.02 0.28 0.82 -2.02 0.00 0.00 178.31 178.42 2qtg h ILE 259 N 0.06 1.15 -1.69 1.41 2.04 -0.75 -3.42 117.51 116.30 2qtg h ILE 259 Ca -0.02 -0.35 -0.70 0.00 1.00 0.00 0.00 64.86 64.79 2qtg h ILE 259 Cb 1.06 0.47 0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2qtg h ILE 259 CO 0.09 0.16 0.93 -3.20 0.00 0.00 0.00 178.15 176.13 2qtg n ASN 260 N -4.42 2.65 0.00 1.72 5.15 -0.76 -0.92 115.26 118.68 2qtg n ASN 260 Ca 0.04 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 2qtg n ASN 260 Cb 0.09 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 2qtg n ASN 260 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qtg n GLY 261 N 4.17 1.58 3.86 8.20 0.00 -1.26 -5.03 105.19 116.70 2qtg n GLY 261 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 2qtg n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtg s ARG 262 N -0.05 3.88 0.69 1.61 0.52 -0.10 -4.86 118.95 120.63 2qtg s ARG 262 Ca 0.00 0.51 -0.00 0.00 -0.52 0.00 0.00 55.73 55.72 2qtg s ARG 262 Cb 0.00 -2.46 0.14 0.00 0.52 0.00 0.00 34.95 33.14 2qtg s ARG 262 CO 0.00 0.12 0.94 0.27 0.02 0.00 0.00 175.30 176.66 2qtg n ASN 263 N -0.65 1.29 0.04 0.23 0.23 -1.26 -0.35 115.26 114.77 2qtg n ASN 263 Ca 0.02 -2.08 -0.05 0.00 -0.53 0.00 0.00 54.58 51.94 2qtg n ASN 263 Cb 0.53 -0.61 0.16 0.00 -2.08 0.00 0.00 39.78 37.78 2qtg n ASN 263 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2qtg h LEU 264 N 0.00 0.45 -1.40 -4.53 3.38 -1.84 -2.76 115.31 108.61 2qtg h LEU 264 Ca -0.31 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2qtg h LEU 264 Cb 1.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2qtg h LEU 264 CO 0.34 0.80 0.37 0.28 0.09 0.00 0.00 178.44 180.32 2qtg h SER 265 N 0.35 0.68 0.81 -0.43 0.02 -1.95 -1.48 113.55 111.54 2qtg h SER 265 Ca 0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2qtg h SER 265 Cb 0.86 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2qtg h SER 265 CO 0.07 0.50 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 2qtg n ASP 266 N -4.43 0.20 0.00 3.07 8.00 -1.05 -5.03 116.55 117.31 2qtg n ASP 266 Ca 0.06 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.09 2qtg n ASP 266 Cb 0.06 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2qtg n ASP 266 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99