#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfx h GLN 15 N 0.00 0.83 -4.93 -1.58 4.15 -2.11 -3.46 115.11 108.01 1qfx h GLN 15 Ca 0.00 -0.50 -0.37 0.00 0.77 0.00 0.00 58.65 58.54 1qfx h GLN 15 Cb 0.00 0.05 -0.24 0.00 0.21 0.00 0.00 27.48 27.50 1qfx h GLN 15 CO 0.00 1.14 -0.77 -0.06 -1.93 0.00 0.00 178.83 177.21 1qfx s PHE 16 N -4.18 0.93 0.26 3.99 0.08 -1.26 -5.14 117.98 112.66 1qfx s PHE 16 Ca -0.11 -0.36 -0.26 0.00 0.12 0.00 0.00 56.93 56.31 1qfx s PHE 16 Cb 0.10 -0.56 -0.09 0.00 -0.57 0.00 0.00 43.02 41.90 1qfx s PHE 16 CO 0.87 -0.01 0.89 0.45 -0.10 0.00 0.00 175.22 177.33 1qfx s SER 17 N -1.16 7.42 0.00 1.36 0.15 -1.26 -4.97 113.70 115.24 1qfx s SER 17 Ca -0.02 1.79 0.25 0.00 0.70 0.00 0.00 55.95 58.67 1qfx s SER 17 Cb -0.08 -2.56 0.47 0.00 -1.71 0.00 0.00 66.02 62.15 1qfx s SER 17 CO 0.01 0.07 1.39 0.00 1.20 0.00 0.00 173.24 175.91 1qfx n GLN 18 N 1.06 1.35 -3.21 5.44 6.02 -1.26 -4.89 117.38 121.89 1qfx n GLN 18 Ca -0.01 -0.97 -0.39 0.00 -0.01 0.00 0.00 57.00 55.62 1qfx n GLN 18 Cb 0.49 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 1qfx n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1qfx s GLU 19 N -2.32 4.36 -0.42 -1.09 2.02 -1.26 -5.03 118.70 114.94 1qfx s GLU 19 Ca 0.25 0.65 0.02 0.00 0.02 0.00 0.00 54.97 55.92 1qfx s GLU 19 Cb 0.19 -3.41 0.13 0.00 0.10 0.00 0.00 34.13 31.14 1qfx s GLU 19 CO 0.47 0.19 0.21 -0.06 0.02 0.00 0.00 175.26 176.09 1qfx s PHE 20 N 0.44 2.19 -1.72 1.61 0.40 -1.26 -4.97 117.98 114.67 1qfx s PHE 20 Ca 0.31 -2.45 0.15 0.00 -0.60 0.00 0.00 56.93 54.34 1qfx s PHE 20 Cb -0.17 -2.04 0.07 0.00 0.51 0.00 0.00 43.02 41.40 1qfx s PHE 20 CO 0.14 -0.80 0.92 0.54 0.70 0.00 0.00 175.22 176.72 1qfx n ARG 21 N 3.73 1.42 -0.35 0.44 5.12 -1.26 -4.68 116.66 121.08 1qfx n ARG 21 Ca 0.06 -1.16 0.14 0.00 -1.93 0.00 0.00 57.85 54.95 1qfx n ARG 21 Cb 0.36 -1.27 0.34 0.00 -1.16 0.00 0.00 32.46 30.72 1qfx n ARG 21 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1qfx h ASP 22 N 2.50 0.76 -0.00 0.55 3.32 -2.01 -1.94 116.42 119.61 1qfx h ASP 22 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qfx h ASP 22 Cb 0.59 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1qfx h ASP 22 CO 0.00 0.26 0.00 1.23 -1.72 0.00 0.00 179.24 179.01 1qfx h GLY 23 N 0.74 0.00 1.71 2.75 0.00 -2.03 -1.86 103.07 104.37 1qfx h GLY 23 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1qfx h GLY 23 CO -0.38 0.00 -0.22 -1.72 0.00 0.00 0.00 176.54 174.22 1qfx n TYR 24 N -3.40 0.81 -1.68 5.60 4.01 -0.73 -4.91 117.16 116.86 1qfx n TYR 24 Ca -0.03 0.24 -0.46 0.00 -0.16 0.00 0.00 57.90 57.49 1qfx n TYR 24 Cb 0.08 -0.85 -0.04 0.00 -0.31 0.00 0.00 39.34 38.22 1qfx n TYR 24 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qfx n SER 25 N -2.22 3.30 0.28 7.72 2.88 -0.70 -4.86 113.62 120.03 1qfx n SER 25 Ca 0.05 1.05 0.15 0.00 -1.33 0.00 0.00 58.87 58.78 1qfx n SER 25 Cb 0.43 -1.43 0.82 0.00 -0.75 0.00 0.00 64.21 63.29 1qfx n SER 25 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1qfx h ILE 26 N 4.15 0.48 -0.04 2.46 1.08 -1.90 -0.65 117.51 123.08 1qfx h ILE 26 Ca -0.46 -0.34 0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1qfx h ILE 26 Cb 1.25 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1qfx h ILE 26 CO 0.91 0.07 0.09 -0.07 -0.69 0.00 0.00 178.15 178.46 1qfx h LEU 27 N 0.00 0.00 -3.08 1.44 3.38 -1.95 0.30 115.31 115.40 1qfx h LEU 27 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qfx h LEU 27 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qfx h LEU 27 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1qfx n LYS 28 N -3.36 3.57 -1.66 1.13 4.76 -0.25 -4.52 118.16 117.82 1qfx n LYS 28 Ca -0.02 -2.84 -0.01 0.00 -2.87 0.00 0.00 58.31 52.57 1qfx n LYS 28 Cb 0.17 -1.83 0.07 0.00 -1.84 0.00 0.00 35.03 31.61 1qfx n LYS 28 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1qfx n HIS 29 N 1.16 0.69 -2.60 2.13 8.25 0.11 -4.62 115.22 120.35 1qfx n HIS 29 Ca 0.25 -1.37 0.01 0.00 -0.26 0.00 0.00 57.72 56.35 1qfx n HIS 29 Cb 0.84 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.76 1qfx n HIS 29 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1qfx n TYR 30 N -0.33 0.33 -0.95 4.41 0.18 -1.25 -2.22 117.16 117.33 1qfx n TYR 30 Ca 0.15 -1.20 0.00 0.00 1.88 0.00 0.00 57.90 58.73 1qfx n TYR 30 Cb 0.93 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.88 1qfx n TYR 30 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qfx n GLY 31 N -0.10 3.22 1.01 -7.48 0.00 -1.26 -2.28 105.19 98.31 1qfx n GLY 31 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1qfx n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfx n GLY 32 N 0.00 4.02 0.18 -0.02 0.00 -1.26 -3.86 105.19 104.25 1qfx n GLY 32 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1qfx n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qfx h ASN 33 N 1.92 0.53 -4.50 1.61 2.35 -1.78 -3.27 115.58 112.45 1qfx h ASN 33 Ca 0.02 -0.35 -0.12 0.00 -0.55 0.00 0.00 56.30 55.31 1qfx h ASN 33 Cb 1.53 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1qfx h ASN 33 CO 0.27 1.09 -0.02 0.61 -1.65 0.00 0.00 177.43 177.73 1qfx n GLY 34 N 0.57 2.13 3.39 2.83 0.00 -1.26 -4.47 105.19 108.39 1qfx n GLY 34 Ca -0.05 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 1qfx n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qfx n PRO 35 N -1.20 0.35 -1.79 1.61 -0.02 -1.26 -2.04 135.00 130.64 1qfx n PRO 35 Ca 0.03 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.28 1qfx n PRO 35 Cb 0.14 -1.41 0.06 0.00 -0.02 0.00 0.00 33.50 32.27 1qfx n PRO 35 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1qfx s TYR 36 N -1.74 2.14 -0.01 6.00 5.04 -1.18 -4.34 117.35 123.27 1qfx s TYR 36 Ca 0.64 1.49 -0.16 0.00 -2.44 0.00 0.00 57.07 56.60 1qfx s TYR 36 Cb -0.51 -3.65 0.03 0.00 0.35 0.00 0.00 41.96 38.18 1qfx s TYR 36 CO 0.59 -2.77 0.33 -1.54 -1.34 0.00 0.00 175.55 170.82 1qfx s SER 37 N -1.45 -0.21 0.27 4.32 1.04 -1.26 -5.00 113.70 111.42 1qfx s SER 37 Ca 0.81 0.07 -0.29 0.00 0.48 0.00 0.00 55.95 57.02 1qfx s SER 37 Cb -0.36 0.33 -0.10 0.00 0.10 0.00 0.00 66.02 66.00 1qfx s SER 37 CO 0.38 -0.48 1.23 -1.61 0.98 0.00 0.00 173.24 173.74 1qfx s GLU 38 N -1.51 4.47 0.40 4.02 2.02 -1.26 -4.93 118.70 121.90 1qfx s GLU 38 Ca -0.12 2.01 -0.26 0.00 0.02 0.00 0.00 54.97 56.62 1qfx s GLU 38 Cb -0.04 -3.15 -0.09 0.00 0.10 0.00 0.00 34.13 30.95 1qfx s GLU 38 CO 0.03 -0.06 1.23 0.50 0.02 0.00 0.00 175.26 176.99 1qfx s ARG 39 N -1.19 4.03 0.15 1.61 3.52 0.12 -4.92 118.95 122.26 1qfx s ARG 39 Ca 0.49 1.99 -0.31 0.00 -0.13 0.00 0.00 55.73 57.77 1qfx s ARG 39 Cb -0.36 -2.73 -0.11 0.00 -1.56 0.00 0.00 34.95 30.19 1qfx s ARG 39 CO 0.44 -0.39 1.76 0.08 -0.81 0.00 0.00 175.30 176.39 1qfx s VAL 40 N -1.33 2.44 0.32 7.11 1.01 -1.26 -4.60 120.40 124.09 1qfx s VAL 40 Ca 0.57 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 1qfx s VAL 40 Cb -0.34 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 1qfx s VAL 40 CO 0.44 0.00 0.78 -0.55 0.00 0.00 0.00 175.10 175.77 1qfx s SER 41 N 2.11 6.90 0.00 3.32 0.15 -1.26 -4.97 113.70 119.96 1qfx s SER 41 Ca 0.78 1.42 0.28 0.00 0.70 0.00 0.00 55.95 59.12 1qfx s SER 41 Cb -0.46 -2.42 1.04 0.00 -1.71 0.00 0.00 66.02 62.46 1qfx s SER 41 CO 0.34 -0.17 1.76 -1.22 1.20 0.00 0.00 173.24 175.16 1qfx n TYR 42 N -0.10 0.00 0.00 3.44 4.01 -1.26 -4.91 117.16 118.34 1qfx n TYR 42 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1qfx n TYR 42 Cb 0.53 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1qfx n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qfx n GLY 43 N 1.40 0.59 3.72 2.72 0.00 -1.26 -5.08 105.19 107.29 1qfx n GLY 43 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1qfx n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfx s ILE 44 N -2.00 2.82 0.23 -0.61 1.01 -1.26 -4.94 121.20 116.46 1qfx s ILE 44 Ca 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 60.65 60.94 1qfx s ILE 44 Cb 0.00 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 1qfx s ILE 44 CO 0.00 0.06 1.66 0.00 0.00 0.00 0.00 174.94 176.65 1qfx n ALA 45 N 3.69 2.54 0.07 9.38 0.00 -1.26 -4.67 120.51 130.27 1qfx n ALA 45 Ca 0.12 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.91 1qfx n ALA 45 Cb 0.40 -2.48 0.16 0.00 0.00 0.00 0.00 19.45 17.53 1qfx n ALA 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qfx h ARG 46 N 5.93 0.31 -7.34 0.00 9.65 -1.92 -3.46 114.38 117.56 1qfx h ARG 46 Ca -0.45 -0.17 -0.51 0.00 -1.10 0.00 0.00 59.98 57.75 1qfx h ARG 46 Cb 1.22 0.01 0.08 0.00 -1.39 0.00 0.00 29.97 29.89 1qfx h ARG 46 CO 0.89 0.73 0.39 -0.51 2.80 0.00 0.00 179.97 184.26 1qfx s ASP 47 N -6.88 5.68 0.31 -3.80 1.01 -1.26 -4.98 116.67 106.75 1qfx s ASP 47 Ca -0.05 1.56 -0.29 0.00 0.71 0.00 0.00 52.55 54.47 1qfx s ASP 47 Cb 0.13 -2.49 -0.12 0.00 1.01 0.00 0.00 42.92 41.45 1qfx s ASP 47 CO 0.79 -1.24 1.48 -2.65 0.21 0.00 0.00 175.17 173.76 1qfx n PRO 48 N -2.96 2.47 -0.74 8.23 -0.02 -1.26 -4.95 135.00 135.78 1qfx n PRO 48 Ca 0.07 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.11 1qfx n PRO 48 Cb 0.54 -2.59 0.16 0.00 -0.02 0.00 0.00 33.50 31.59 1qfx n PRO 48 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qfx n PRO 49 N 1.42 -0.37 -1.83 0.52 -0.02 -1.26 -4.86 135.00 128.59 1qfx n PRO 49 Ca 0.07 -0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 1qfx n PRO 49 Cb 0.36 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1qfx n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qfx s THR 50 N -2.55 2.11 0.00 3.45 2.01 -1.26 -1.92 115.64 117.48 1qfx s THR 50 Ca 0.66 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1qfx s THR 50 Cb -0.23 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1qfx s THR 50 CO 0.59 0.03 0.00 -1.20 -0.69 0.00 0.00 174.62 173.34 1qfx n SER 51 N 0.47 0.00 -4.40 3.53 7.64 -1.26 -4.96 113.62 114.64 1qfx n SER 51 Ca 0.01 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 1qfx n SER 51 Cb 0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1qfx n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qfx s GLU 53 N -3.80 0.90 -0.06 0.00 -1.05 -0.50 -4.67 118.70 109.53 1qfx s GLU 53 Ca 0.30 0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 55.02 1qfx s GLU 53 Cb 0.05 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1qfx s GLU 53 CO 0.11 -0.26 1.07 0.08 0.95 0.00 0.00 175.26 177.21 1qfx s VAL 54 N -1.05 4.60 -1.03 1.83 1.01 -1.26 -0.25 120.40 124.25 1qfx s VAL 54 Ca -0.10 1.88 0.09 0.00 0.00 0.00 0.00 61.98 63.84 1qfx s VAL 54 Cb -0.02 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1qfx s VAL 54 CO 0.07 0.04 0.72 -0.90 0.00 0.00 0.00 175.10 175.03 1qfx n ASP 55 N 4.75 1.55 -3.64 3.32 5.68 -0.00 -4.92 116.55 123.28 1qfx n ASP 55 Ca 0.09 -1.27 -0.09 0.00 -0.50 0.00 0.00 54.79 53.01 1qfx n ASP 55 Cb 0.48 0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.56 1qfx n ASP 55 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1qfx s GLN 56 N -0.94 0.66 -0.07 0.11 0.74 -1.24 -4.60 119.66 114.33 1qfx s GLN 56 Ca 0.10 0.91 0.03 0.00 0.05 0.00 0.00 55.36 56.45 1qfx s GLN 56 Cb 0.07 0.25 0.01 0.00 1.10 0.00 0.00 33.01 34.45 1qfx s GLN 56 CO 0.15 -0.10 -0.14 0.08 -0.55 0.00 0.00 175.29 174.73 1qfx s VAL 57 N 0.80 1.29 -0.23 1.34 1.01 0.45 -0.60 120.40 124.45 1qfx s VAL 57 Ca -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1qfx s VAL 57 Cb -0.05 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.24 1qfx s VAL 57 CO -0.08 0.39 0.02 -0.63 0.00 0.00 0.00 175.10 174.79 1qfx s ILE 58 N 0.58 0.97 0.07 2.22 1.01 -0.40 -0.44 121.20 125.21 1qfx s ILE 58 Ca -0.15 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.61 1qfx s ILE 58 Cb -0.16 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1qfx s ILE 58 CO 0.04 -0.28 -0.26 -0.32 0.00 0.00 0.00 174.94 174.13 1qfx s MET 59 N 1.63 1.62 -0.17 2.79 1.75 -0.04 -0.23 119.30 126.66 1qfx s MET 59 Ca -0.00 -1.17 -0.01 0.00 -1.25 0.00 0.00 55.69 53.27 1qfx s MET 59 Cb -0.18 -1.89 0.04 0.00 2.84 0.00 0.00 34.83 35.65 1qfx s MET 59 CO -0.11 0.47 -0.04 0.54 -0.65 0.00 0.00 175.02 175.23 1qfx s VAL 60 N -0.89 1.04 -0.06 10.11 0.11 -0.34 -0.87 120.40 129.49 1qfx s VAL 60 Ca 0.12 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1qfx s VAL 60 Cb -0.10 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1qfx s VAL 60 CO 0.03 0.10 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.03 1qfx s LYS 61 N 1.66 2.68 0.57 1.54 2.20 0.01 -1.49 119.74 126.91 1qfx s LYS 61 Ca 0.01 -0.64 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 1qfx s LYS 61 Cb -0.15 -2.48 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 1qfx s LYS 61 CO -0.08 0.59 1.03 0.50 -0.36 0.00 0.00 175.35 177.04 1qfx s ARG 62 N -0.64 3.52 0.95 4.03 3.52 0.05 -1.42 118.95 128.96 1qfx s ARG 62 Ca 0.10 1.11 -0.12 0.00 -0.13 0.00 0.00 55.73 56.68 1qfx s ARG 62 Cb -0.11 -2.07 0.07 0.00 -1.56 0.00 0.00 34.95 31.28 1qfx s ARG 62 CO 0.01 -0.64 0.58 -2.39 -0.81 0.00 0.00 175.30 172.05 1qfx n HIS 63 N -1.92 -0.90 -0.96 5.12 1.44 -0.87 -4.09 115.22 113.04 1qfx n HIS 63 Ca 0.08 0.26 -0.01 0.00 -2.01 0.00 0.00 57.72 56.04 1qfx n HIS 63 Cb 0.53 -1.83 0.01 0.00 0.12 0.00 0.00 29.99 28.82 1qfx n HIS 63 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1qfx n GLY 64 N 1.21 -1.34 3.67 -1.39 0.00 -1.26 -1.26 105.19 104.83 1qfx n GLY 64 Ca 0.08 -1.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.01 1qfx n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qfx n GLU 65 N -1.18 2.08 -4.33 1.61 4.71 -1.26 -4.52 120.64 117.74 1qfx n GLU 65 Ca 0.01 0.74 -0.19 0.00 -0.01 0.00 0.00 57.16 57.71 1qfx n GLU 65 Cb 0.02 -2.42 -0.09 0.00 -1.01 0.00 0.00 31.44 27.95 1qfx n GLU 65 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1qfx s ARG 66 N -0.30 1.62 0.64 3.49 1.70 -1.26 -1.23 118.95 123.61 1qfx s ARG 66 Ca 0.69 -1.93 -0.10 0.00 -0.47 0.00 0.00 55.73 53.92 1qfx s ARG 66 Cb -0.64 -0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 33.68 1qfx s ARG 66 CO 0.49 -0.48 1.02 0.71 -1.08 0.00 0.00 175.30 175.95 1qfx s TYR 67 N -3.59 3.48 1.16 5.89 2.02 0.21 -4.79 117.35 121.74 1qfx s TYR 67 Ca 0.36 1.10 -0.13 0.00 -0.37 0.00 0.00 57.07 58.03 1qfx s TYR 67 Cb 0.04 -2.81 0.28 0.00 -0.40 0.00 0.00 41.96 39.08 1qfx s TYR 67 CO 0.19 -0.84 1.03 -2.14 -1.57 0.00 0.00 175.55 172.22 1qfx s PRO 68 N -5.19 -0.93 0.74 -1.71 0.02 -1.26 -3.77 135.00 122.90 1qfx s PRO 68 Ca 0.55 0.89 -0.11 0.00 0.02 0.00 0.00 61.00 62.35 1qfx s PRO 68 Cb -0.11 -1.55 0.05 0.00 0.02 0.00 0.00 34.50 32.91 1qfx s PRO 68 CO 0.52 -3.75 1.12 -1.54 -0.33 0.00 0.00 177.00 173.01 1qfx s SER 69 N -2.48 4.99 0.18 2.53 1.04 -1.26 -0.67 113.70 118.04 1qfx s SER 69 Ca 0.69 0.90 -0.13 0.00 0.48 0.00 0.00 55.95 57.89 1qfx s SER 69 Cb -0.25 -1.57 0.14 0.00 0.10 0.00 0.00 66.02 64.44 1qfx s SER 69 CO 0.65 -1.59 1.78 -0.65 0.98 0.00 0.00 173.24 174.40 1qfx h PRO 70 N -0.80 0.45 -0.44 4.02 0.11 -1.94 0.20 132.00 133.60 1qfx h PRO 70 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1qfx h PRO 70 Cb 1.29 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1qfx h PRO 70 CO 0.64 0.30 0.09 0.66 -0.21 0.00 0.00 178.00 179.48 1qfx h SER 71 N 0.47 0.69 -0.88 -2.05 4.64 -1.99 -0.23 113.55 114.19 1qfx h SER 71 Ca 0.22 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1qfx h SER 71 Cb 0.15 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 1qfx h SER 71 CO -0.17 0.77 0.46 0.00 -0.87 0.00 0.00 176.83 177.01 1qfx h ALA 72 N 0.95 1.15 -0.53 5.18 0.00 -1.91 -2.15 119.26 121.95 1qfx h ALA 72 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1qfx h ALA 72 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qfx h ALA 72 CO 0.01 0.67 0.08 0.78 0.00 0.00 0.00 179.25 180.79 1qfx h GLY 73 N 1.25 0.90 0.98 0.00 0.00 -0.44 0.28 103.07 106.03 1qfx h GLY 73 Ca 0.31 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1qfx h GLY 73 CO -0.05 0.51 -0.07 1.70 0.00 0.00 0.00 176.54 178.63 1qfx h LYS 74 N 0.80 -0.20 -0.68 4.80 3.64 -0.52 0.06 116.57 124.47 1qfx h LYS 74 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1qfx h LYS 74 Cb 0.36 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1qfx h LYS 74 CO 0.01 -0.11 0.37 -0.44 -2.27 0.00 0.00 179.45 177.00 1qfx h ASP 75 N -0.23 0.85 -0.48 4.20 3.32 -1.14 -0.72 116.42 122.22 1qfx h ASP 75 Ca -0.02 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1qfx h ASP 75 Cb 0.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1qfx h ASP 75 CO 0.04 0.71 0.30 0.40 -1.72 0.00 0.00 179.24 178.97 1qfx h ILE 76 N 0.93 1.13 -0.76 0.35 2.04 -0.79 -1.58 117.51 118.84 1qfx h ILE 76 Ca 0.24 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1qfx h ILE 76 Cb 0.05 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1qfx h ILE 76 CO -0.04 0.13 0.42 -0.33 0.00 0.00 0.00 178.15 178.34 1qfx h GLU 77 N 0.64 1.05 -0.75 2.37 5.08 -0.46 -0.14 114.58 122.38 1qfx h GLU 77 Ca 0.17 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1qfx h GLU 77 Cb -0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1qfx h GLU 77 CO -0.04 0.78 0.30 0.93 -1.00 0.00 0.00 179.01 179.98 1qfx h GLU 78 N 1.05 1.11 -0.63 2.33 5.08 -0.79 -1.14 114.58 121.60 1qfx h GLU 78 Ca 0.27 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1qfx h GLU 78 Cb 0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1qfx h GLU 78 CO -0.04 0.91 0.02 0.00 -1.00 0.00 0.00 179.01 178.89 1qfx h ALA 79 N 1.15 0.84 0.00 3.43 0.00 -0.85 -2.41 119.26 121.42 1qfx h ALA 79 Ca 0.25 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1qfx h ALA 79 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qfx h ALA 79 CO -0.02 0.67 -0.24 -0.07 0.00 0.00 0.00 179.25 179.60 1qfx h LEU 80 N 1.00 0.00 -0.31 0.00 3.38 -0.71 -1.93 115.31 116.74 1qfx h LEU 80 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1qfx h LEU 80 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1qfx h LEU 80 CO 0.03 0.24 -0.10 0.00 0.09 0.00 0.00 178.44 178.70 1qfx h ALA 81 N 1.76 0.43 -0.73 1.53 0.00 -0.72 0.72 119.26 122.25 1qfx h ALA 81 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1qfx h ALA 81 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1qfx h ALA 81 CO 0.03 0.27 0.23 0.87 0.00 0.00 0.00 179.25 180.65 1qfx h LYS 82 N 0.37 1.13 -0.40 0.00 1.57 -1.21 -1.49 116.57 116.54 1qfx h LYS 82 Ca 0.08 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1qfx h LYS 82 Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1qfx h LYS 82 CO 0.03 0.96 0.21 0.28 -0.57 0.00 0.00 179.45 180.36 1qfx h VAL 83 N 1.09 1.16 0.00 0.50 2.07 -1.17 -2.89 116.25 117.01 1qfx h VAL 83 Ca 0.24 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1qfx h VAL 83 Cb 0.30 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1qfx h VAL 83 CO -0.01 0.17 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 1qfx n TYR 84 N -4.71 0.00 0.84 1.57 4.01 0.23 -4.06 117.16 115.03 1qfx n TYR 84 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qfx n TYR 84 Cb 0.09 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qfx n TYR 84 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1qfx n SER 85 N -1.10 1.53 -3.76 7.72 3.41 -0.60 -5.05 113.62 115.78 1qfx n SER 85 Ca 0.19 -1.67 -0.13 0.00 -0.26 0.00 0.00 58.87 56.99 1qfx n SER 85 Cb 0.14 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 1qfx n SER 85 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1qfx s ILE 86 N -0.51 0.05 0.27 -1.33 -4.36 -1.26 -4.94 121.20 109.12 1qfx s ILE 86 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1qfx s ILE 86 Cb 0.00 -0.59 0.00 0.00 1.25 0.00 0.00 42.46 43.12 1qfx s ILE 86 CO 0.00 -0.22 0.00 0.35 0.24 0.00 0.00 174.94 175.31 1qfx n THR 89 N 1.54 -1.08 -1.64 8.37 -2.24 -1.26 -5.07 114.28 112.91 1qfx n THR 89 Ca -0.20 0.60 -0.50 0.00 -2.27 0.00 0.00 64.05 61.67 1qfx n THR 89 Cb 0.56 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1qfx n THR 89 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qfx n GLU 90 N -2.65 1.58 -2.16 -0.78 2.13 -1.26 -4.95 120.64 112.55 1qfx n GLU 90 Ca -0.01 0.57 -0.37 0.00 0.66 0.00 0.00 57.16 58.01 1qfx n GLU 90 Cb 0.24 -2.28 -0.00 0.00 0.27 0.00 0.00 31.44 29.67 1qfx n GLU 90 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1qfx s TYR 91 N 1.38 2.78 0.43 4.31 2.02 -1.26 -5.06 117.35 121.94 1qfx s TYR 91 Ca 0.85 1.50 0.07 0.00 -0.37 0.00 0.00 57.07 59.12 1qfx s TYR 91 Cb -0.85 -3.47 -0.05 0.00 -0.40 0.00 0.00 41.96 37.19 1qfx s TYR 91 CO 0.47 -1.77 0.15 0.15 -1.57 0.00 0.00 175.55 172.98 1qfx s LYS 92 N -2.68 2.18 5.08 -0.62 -0.14 -1.26 -4.31 119.74 117.99 1qfx s LYS 92 Ca 0.64 -1.93 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 1qfx s LYS 92 Cb -0.31 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1qfx s LYS 92 CO 0.38 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 175.23 1qfx n GLY 93 N -1.22 2.75 0.21 -3.33 0.00 -1.26 -2.49 105.19 99.85 1qfx n GLY 93 Ca -0.03 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.80 1qfx n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qfx h ASP 94 N 7.98 0.00 -0.60 1.61 3.32 -1.96 -1.83 116.42 124.94 1qfx h ASP 94 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qfx h ASP 94 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qfx h ASP 94 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1qfx n LEU 95 N -2.57 3.32 0.00 1.55 4.77 -1.04 -4.40 117.00 118.63 1qfx n LEU 95 Ca -0.00 -1.66 0.09 0.00 -0.03 0.00 0.00 56.01 54.41 1qfx n LEU 95 Cb 0.16 -0.42 0.51 0.00 -2.33 0.00 0.00 43.42 41.34 1qfx n LEU 95 CO 0.18 0.79 1.16 0.00 -1.33 0.00 0.00 177.39 178.20 1qfx h ALA 96 N 4.08 1.95 0.00 -1.18 0.00 -1.29 -0.28 119.26 122.54 1qfx h ALA 96 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qfx h ALA 96 Cb 0.86 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1qfx h ALA 96 CO 0.02 -0.02 -0.00 0.27 0.00 0.00 0.00 179.25 179.52 1qfx h PHE 97 N 0.37 0.00 0.00 0.00 -0.00 -1.84 -1.86 116.94 113.61 1qfx h PHE 97 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.16 1qfx h PHE 97 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.25 1qfx h PHE 97 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.31 178.24 1qfx h LEU 98 N 0.00 0.00 -1.77 2.10 3.38 -1.38 -1.34 115.31 116.31 1qfx h LEU 98 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qfx h LEU 98 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1qfx h LEU 98 CO 0.00 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.26 1qfx h ASN 99 N 0.00 0.00 -2.02 -0.43 2.35 -1.52 -3.22 115.58 110.74 1qfx h ASN 99 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1qfx h ASN 99 Cb 0.13 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.10 1qfx h ASN 99 CO 0.00 0.05 -1.13 -0.67 -1.65 0.00 0.00 177.43 174.04 1qfx n ASP 100 N -3.22 0.88 -3.80 5.81 2.03 -0.51 -5.10 116.55 112.64 1qfx n ASP 100 Ca -0.01 -2.95 -0.13 0.00 0.52 0.00 0.00 54.79 52.23 1qfx n ASP 100 Cb 0.27 -0.62 -0.11 0.00 -0.72 0.00 0.00 41.12 39.93 1qfx n ASP 100 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1qfx s TRP 101 N -2.08 -0.22 -0.02 -0.67 -0.00 -1.19 -5.01 118.94 109.75 1qfx s TRP 101 Ca 0.39 0.53 0.04 0.00 -0.00 0.00 0.00 56.10 57.06 1qfx s TRP 101 Cb 0.28 0.07 -0.01 0.00 -0.00 0.00 0.00 33.47 33.82 1qfx s TRP 101 CO -0.09 -0.15 -0.14 0.95 -0.00 0.00 0.00 176.95 177.52 1qfx s THR 102 N -0.10 1.11 0.45 5.86 -4.23 -1.26 -4.97 115.64 112.49 1qfx s THR 102 Ca -0.02 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 59.67 1qfx s THR 102 Cb -0.02 -0.93 -0.09 0.00 1.34 0.00 0.00 72.50 72.79 1qfx s THR 102 CO 0.01 0.32 1.05 0.00 -0.54 0.00 0.00 174.62 175.45 1qfx n TYR 103 N 2.84 1.27 1.10 3.99 9.36 -1.26 -4.91 117.16 129.54 1qfx n TYR 103 Ca -0.15 0.52 0.13 0.00 3.32 0.00 0.00 57.90 61.73 1qfx n TYR 103 Cb 0.55 -2.24 0.48 0.00 -0.63 0.00 0.00 39.34 37.50 1qfx n TYR 103 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1qfx n TYR 104 N -0.66 0.00 -2.86 2.98 0.18 -1.26 -4.77 117.16 110.77 1qfx n TYR 104 Ca 0.10 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.45 1qfx n TYR 104 Cb 0.41 -0.33 -0.04 0.00 -0.38 0.00 0.00 39.34 38.99 1qfx n TYR 104 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1qfx s VAL 105 N -2.87 4.61 0.20 -3.48 1.01 -1.26 -4.94 120.40 113.67 1qfx s VAL 105 Ca 0.16 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 1qfx s VAL 105 Cb 0.19 -4.31 0.20 0.00 0.00 0.00 0.00 36.38 32.45 1qfx s VAL 105 CO 0.58 -0.56 1.62 -0.65 0.00 0.00 0.00 175.10 176.08 1qfx h PRO 106 N 8.60 -0.06 -2.86 2.72 0.11 -1.98 -3.45 132.00 135.09 1qfx h PRO 106 Ca -0.24 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.94 1qfx h PRO 106 Cb 1.08 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1qfx h PRO 106 CO 0.97 -0.04 0.28 0.54 -0.21 0.00 0.00 178.00 179.54 1qfx s ASN 107 N -5.20 -0.34 0.63 -2.05 2.20 -1.26 -5.04 114.94 103.88 1qfx s ASN 107 Ca -0.14 -0.37 0.34 0.00 -0.94 0.00 0.00 52.86 51.76 1qfx s ASN 107 Cb 0.18 0.64 1.93 0.00 -2.00 0.00 0.00 41.25 41.99 1qfx s ASN 107 CO 0.72 -1.13 2.16 1.05 -2.94 0.00 0.00 177.10 176.96 1qfx h GLU 108 N 2.00 0.00 0.00 3.55 4.11 -2.00 -1.48 114.58 120.75 1qfx h GLU 108 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1qfx h GLU 108 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1qfx h GLU 108 CO 0.28 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.36 1qfx h TYR 110 N 0.00 0.00 -3.17 0.00 0.05 -1.63 0.26 116.97 112.49 1qfx h TYR 110 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 1qfx h TYR 110 Cb 0.36 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.20 1qfx h TYR 110 CO 0.00 0.00 0.58 0.66 -1.05 0.00 0.00 178.16 178.35 1qfx n TYR 111 N -2.62 2.33 0.00 4.88 4.01 -1.05 -1.22 117.16 123.49 1qfx n TYR 111 Ca 0.04 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1qfx n TYR 111 Cb 0.48 -2.45 0.00 0.00 -0.31 0.00 0.00 39.34 37.07 1qfx n TYR 111 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1qfx n ASN 112 N 1.25 0.00 -4.87 7.72 3.02 0.16 -4.02 115.26 118.51 1qfx n ASN 112 Ca 0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.31 1qfx n ASN 112 Cb 0.35 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1qfx n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfx s ALA 113 N -2.07 3.14 0.38 5.41 0.00 -0.36 -4.56 121.76 123.71 1qfx s ALA 113 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 1qfx s ALA 113 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 1qfx s ALA 113 CO 0.00 -0.53 1.14 -1.21 0.00 0.00 0.00 175.76 175.16 1qfx s GLU 114 N -4.85 4.16 0.55 0.00 0.41 -1.26 -0.61 118.70 117.09 1qfx s GLU 114 Ca 0.55 1.78 -0.14 0.00 -0.41 0.00 0.00 54.97 56.75 1qfx s GLU 114 Cb -0.11 -2.72 -0.06 0.00 -1.78 0.00 0.00 34.13 29.46 1qfx s GLU 114 CO 0.47 -0.21 0.99 0.95 -0.49 0.00 0.00 175.26 176.97 1qfx s THR 115 N -1.42 4.63 -0.18 3.63 -4.23 -0.36 -4.81 115.64 112.89 1qfx s THR 115 Ca 0.55 1.03 0.23 0.00 -1.18 0.00 0.00 61.69 62.32 1qfx s THR 115 Cb -0.29 -3.78 0.47 0.00 1.34 0.00 0.00 72.50 70.23 1qfx s THR 115 CO 0.37 -0.87 1.15 0.35 -0.54 0.00 0.00 174.62 175.08 1qfx n THR 116 N -2.04 0.79 -3.74 3.99 -2.24 -1.26 -2.41 114.28 107.36 1qfx n THR 116 Ca 0.06 -2.16 -0.14 0.00 -2.27 0.00 0.00 64.05 59.54 1qfx n THR 116 Cb 0.54 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.87 1qfx n THR 116 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qfx s SER 117 N -3.05 -0.23 0.00 3.42 1.04 -1.26 -5.04 113.70 108.59 1qfx s SER 117 Ca 0.27 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1qfx s SER 117 Cb 0.34 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1qfx s SER 117 CO -0.08 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1qfx n GLY 118 N 1.23 -1.25 0.30 7.32 0.00 -1.25 -3.42 105.19 108.12 1qfx n GLY 118 Ca -0.21 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.39 1qfx n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfx h PRO 119 N 0.00 0.00 -0.60 1.61 0.13 -1.89 -2.62 132.00 128.62 1qfx h PRO 119 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qfx h PRO 119 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qfx h PRO 119 CO 0.00 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 178.44 1qfx n TYR 120 N -3.11 0.86 -1.56 1.56 4.01 -1.26 -4.88 117.16 112.78 1qfx n TYR 120 Ca -0.01 -0.51 -0.46 0.00 -0.16 0.00 0.00 57.90 56.75 1qfx n TYR 120 Cb 0.21 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 1qfx n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qfx n ALA 121 N 1.23 -0.78 -0.22 -0.72 0.00 -0.99 -4.60 120.51 114.43 1qfx n ALA 121 Ca 0.21 0.42 -0.04 0.00 0.00 0.00 0.00 53.44 54.03 1qfx n ALA 121 Cb 0.59 -1.97 0.14 0.00 0.00 0.00 0.00 19.45 18.21 1qfx n ALA 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qfx h GLY 122 N 2.31 1.10 1.68 0.00 0.00 -1.46 -1.42 103.07 105.29 1qfx h GLY 122 Ca -0.39 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.19 1qfx h GLY 122 CO 0.63 0.55 -0.65 1.41 0.00 0.00 0.00 176.54 178.48 1qfx h LEU 123 N 1.00 0.37 -0.63 3.11 3.38 -1.80 -2.45 115.31 118.29 1qfx h LEU 123 Ca 0.23 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1qfx h LEU 123 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1qfx h LEU 123 CO -0.02 0.92 0.07 0.25 0.09 0.00 0.00 178.44 179.75 1qfx h LEU 124 N 0.23 1.02 0.12 1.67 5.85 -1.81 -1.54 115.31 120.85 1qfx h LEU 124 Ca -0.01 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1qfx h LEU 124 Cb 1.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1qfx h LEU 124 CO 0.11 1.04 -0.39 -0.78 -0.34 0.00 0.00 178.44 178.08 1qfx h ASP 125 N 0.97 -1.14 -0.39 1.25 1.82 -1.06 0.11 116.42 117.98 1qfx h ASP 125 Ca 0.19 0.13 0.04 0.00 -0.39 0.00 0.00 57.03 56.99 1qfx h ASP 125 Cb 0.47 0.43 -0.04 0.00 0.68 0.00 0.00 39.33 40.87 1qfx h ASP 125 CO 0.02 -0.47 0.17 0.00 -1.61 0.00 0.00 179.24 177.35 1qfx h ALA 126 N -0.09 0.47 -0.37 -0.78 0.00 -1.32 -0.22 119.26 116.95 1qfx h ALA 126 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qfx h ALA 126 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1qfx h ALA 126 CO -0.23 -0.21 0.18 -0.92 0.00 0.00 0.00 179.25 178.08 1qfx h TYR 127 N 0.35 0.54 -0.44 0.00 3.20 -1.00 -1.16 116.97 118.47 1qfx h TYR 127 Ca 0.17 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1qfx h TYR 127 Cb 0.11 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1qfx h TYR 127 CO -0.12 0.45 0.24 -0.97 -1.64 0.00 0.00 178.16 176.12 1qfx h ASN 128 N 0.47 0.55 -0.74 -2.11 -0.73 -0.56 -1.71 115.58 110.75 1qfx h ASN 128 Ca 0.13 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1qfx h ASN 128 Cb 0.12 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.53 1qfx h ASN 128 CO -0.02 0.49 0.43 -0.74 -0.37 0.00 0.00 177.43 177.22 1qfx h HIS 129 N 0.57 1.00 -0.29 0.67 2.76 -0.82 -1.16 115.15 117.88 1qfx h HIS 129 Ca 0.15 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1qfx h HIS 129 Cb 0.06 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1qfx h HIS 129 CO -0.02 0.68 -0.06 0.78 -1.30 0.00 0.00 177.93 178.01 1qfx h GLY 130 N 1.07 0.59 1.06 5.26 0.00 -0.78 -0.59 103.07 109.69 1qfx h GLY 130 Ca 0.27 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1qfx h GLY 130 CO -0.05 0.44 0.48 3.43 0.00 0.00 0.00 176.54 180.84 1qfx h ASN 131 N 0.31 1.10 0.30 0.19 2.35 -1.00 -1.06 115.58 117.77 1qfx h ASN 131 Ca 0.07 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1qfx h ASN 131 Cb 0.53 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1qfx h ASN 131 CO 0.03 0.88 -0.14 -0.78 -1.65 0.00 0.00 177.43 175.76 1qfx h ASP 132 N 1.23 -0.34 0.32 5.81 3.58 -1.08 -2.75 116.42 123.18 1qfx h ASP 132 Ca 0.31 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1qfx h ASP 132 Cb 0.03 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1qfx h ASP 132 CO -0.05 -0.13 -0.06 1.88 -2.88 0.00 0.00 179.24 178.01 1qfx h TYR 133 N -0.54 0.00 -0.30 0.28 -1.99 -0.91 -2.22 116.97 111.29 1qfx h TYR 133 Ca -0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 1qfx h TYR 133 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1qfx h TYR 133 CO -0.02 0.06 0.11 -0.22 -0.00 0.00 0.00 178.16 178.09 1qfx h LYS 134 N 0.00 0.45 -0.49 4.88 1.63 -0.90 0.28 116.57 122.43 1qfx h LYS 134 Ca -0.00 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 1qfx h LYS 134 Cb 0.23 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1qfx h LYS 134 CO 0.01 0.48 -0.15 0.00 -3.45 0.00 0.00 179.45 176.34 1qfx h ALA 135 N 0.95 0.67 -0.13 5.00 0.00 -1.33 0.44 119.26 124.86 1qfx h ALA 135 Ca 0.10 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1qfx h ALA 135 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qfx h ALA 135 CO -0.01 0.61 -0.71 -0.09 0.00 0.00 0.00 179.25 179.06 1qfx h ARG 136 N 0.82 0.59 0.00 0.00 2.43 -1.25 -3.36 114.38 113.60 1qfx h ARG 136 Ca 0.12 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1qfx h ARG 136 Cb 0.71 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1qfx h ARG 136 CO 0.05 1.08 -0.01 0.66 -1.51 0.00 0.00 179.97 180.24 1qfx n TYR 137 N -3.90 0.00 -0.17 2.20 4.01 0.99 -4.78 117.16 115.51 1qfx n TYR 137 Ca -0.05 -0.49 0.17 0.00 -0.16 0.00 0.00 57.90 57.37 1qfx n TYR 137 Cb 0.70 -0.06 0.52 0.00 -0.31 0.00 0.00 39.34 40.19 1qfx n TYR 137 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qfx h GLY 138 N 0.00 0.69 1.95 2.72 0.00 -0.21 0.10 103.07 108.32 1qfx h GLY 138 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1qfx h GLY 138 CO 0.00 0.04 0.02 -2.39 0.00 0.00 0.00 176.54 174.21 1qfx n HIS 139 N -4.47 0.64 1.04 5.60 1.44 -1.26 -1.49 115.22 116.73 1qfx n HIS 139 Ca 0.15 0.34 0.11 0.00 -2.01 0.00 0.00 57.72 56.30 1qfx n HIS 139 Cb 0.58 -1.03 0.33 0.00 0.12 0.00 0.00 29.99 29.99 1qfx n HIS 139 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1qfx n LEU 140 N -2.17 2.01 -3.93 2.39 4.77 0.36 -4.77 117.00 115.66 1qfx n LEU 140 Ca -0.01 -0.85 -0.25 0.00 -0.03 0.00 0.00 56.01 54.87 1qfx n LEU 140 Cb 0.05 -0.14 -0.17 0.00 -2.33 0.00 0.00 43.42 40.83 1qfx n LEU 140 CO 0.08 0.43 -0.44 0.86 -1.33 0.00 0.00 177.39 176.99 1qfx s TRP 141 N -1.73 1.31 -2.01 -1.77 -0.00 -0.55 -4.74 118.94 109.45 1qfx s TRP 141 Ca 0.33 -0.56 0.12 0.00 -0.00 0.00 0.00 56.10 55.99 1qfx s TRP 141 Cb 0.18 -1.07 0.70 0.00 -0.00 0.00 0.00 33.47 33.28 1qfx s TRP 141 CO 0.27 -0.39 1.45 0.27 -0.00 0.00 0.00 176.95 178.56 1qfx n ASN 142 N 4.50 0.11 0.00 5.86 0.23 -1.26 -4.88 115.26 119.81 1qfx n ASN 142 Ca -0.17 -1.64 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 1qfx n ASN 142 Cb 0.51 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1qfx n ASN 142 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qfx n GLY 143 N 0.71 1.70 0.26 4.83 0.00 -1.26 -4.77 105.19 106.66 1qfx n GLY 143 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1qfx n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qfx n GLU 144 N -2.00 0.28 -1.55 1.61 -0.58 -1.26 -5.05 120.64 112.08 1qfx n GLU 144 Ca 0.00 0.08 -0.36 0.00 -0.42 0.00 0.00 57.16 56.46 1qfx n GLU 144 Cb 0.00 -1.13 0.09 0.00 -0.57 0.00 0.00 31.44 29.83 1qfx n GLU 144 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1qfx n THR 145 N -3.09 4.16 -3.46 2.62 -1.04 -1.26 -5.01 114.28 107.19 1qfx n THR 145 Ca -0.22 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.05 60.97 1qfx n THR 145 Cb 0.70 -1.41 -0.10 0.00 -1.82 0.00 0.00 70.33 67.70 1qfx n THR 145 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qfx s VAL 146 N -1.59 5.22 -0.25 12.58 1.01 -1.26 -4.80 120.40 131.31 1qfx s VAL 146 Ca 0.80 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 1qfx s VAL 146 Cb -0.36 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1qfx s VAL 146 CO 0.43 -0.00 0.19 -0.69 0.00 0.00 0.00 175.10 175.03 1qfx s VAL 147 N 1.90 5.33 0.38 2.92 1.01 0.86 -4.93 120.40 127.87 1qfx s VAL 147 Ca 0.10 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1qfx s VAL 147 Cb -0.17 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1qfx s VAL 147 CO 0.11 0.30 0.90 -2.16 0.00 0.00 0.00 175.10 174.25 1qfx s PRO 148 N 1.35 4.26 0.08 2.72 0.04 -1.26 -0.77 135.00 141.42 1qfx s PRO 148 Ca 0.08 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1qfx s PRO 148 Cb -0.14 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1qfx s PRO 148 CO 0.07 0.09 -0.12 -0.59 0.04 0.00 0.00 177.00 176.49 1qfx s PHE 149 N -2.00 1.12 -0.02 0.56 -0.71 -0.44 -4.66 117.98 111.83 1qfx s PHE 149 Ca 0.57 -0.52 0.07 0.00 -1.04 0.00 0.00 56.93 56.01 1qfx s PHE 149 Cb -0.12 -0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 41.05 1qfx s PHE 149 CO 0.16 0.03 -0.24 -0.06 -1.34 0.00 0.00 175.22 173.78 1qfx s PHE 150 N -1.67 2.40 0.01 3.49 0.40 -0.42 -0.65 117.98 121.55 1qfx s PHE 150 Ca -0.00 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1qfx s PHE 150 Cb -0.08 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 1qfx s PHE 150 CO 0.02 0.01 -0.06 0.45 0.70 0.00 0.00 175.22 176.34 1qfx s SER 151 N -0.66 0.70 0.65 1.36 0.15 -0.71 -0.86 113.70 114.33 1qfx s SER 151 Ca 0.10 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.42 1qfx s SER 151 Cb -0.10 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1qfx s SER 151 CO -0.01 0.01 1.06 -0.94 1.20 0.00 0.00 173.24 174.56 1qfx s SER 152 N -0.45 5.53 -1.25 5.45 1.04 -0.58 0.03 113.70 123.47 1qfx s SER 152 Ca -0.00 1.72 -0.19 0.00 0.48 0.00 0.00 55.95 57.96 1qfx s SER 152 Cb -0.04 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1qfx s SER 152 CO -0.00 -1.34 1.89 0.61 0.98 0.00 0.00 173.24 175.38 1qfx n GLY 153 N -1.48 2.54 3.24 7.32 0.00 0.13 -4.37 105.19 112.57 1qfx n GLY 153 Ca 0.08 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1qfx n GLY 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qfx s TYR 154 N 5.76 -0.54 0.04 1.61 6.14 -1.20 -1.97 117.35 127.18 1qfx s TYR 154 Ca 0.57 1.19 -0.07 0.00 0.64 0.00 0.00 57.07 59.39 1qfx s TYR 154 Cb 0.06 0.22 -0.02 0.00 0.42 0.00 0.00 41.96 42.64 1qfx s TYR 154 CO 0.07 -0.31 0.98 0.41 0.64 0.00 0.00 175.55 177.33 1qfx n GLY 155 N 4.11 -2.56 0.27 8.97 0.00 0.07 -0.98 105.19 115.07 1qfx n GLY 155 Ca -0.23 0.64 0.10 0.00 0.00 0.00 0.00 46.02 46.54 1qfx n GLY 155 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qfx h ARG 156 N 0.00 0.00 -0.08 1.61 0.11 -1.84 0.10 114.38 114.28 1qfx h ARG 156 Ca 0.04 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.99 1qfx h ARG 156 Cb 0.09 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.18 1qfx h ARG 156 CO -0.21 0.03 -0.46 0.28 0.10 0.00 0.00 179.97 179.70 1qfx h VAL 157 N 0.00 1.39 -0.50 0.08 2.07 -1.56 -2.54 116.25 115.19 1qfx h VAL 157 Ca -0.00 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 1qfx h VAL 157 Cb 0.06 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1qfx h VAL 157 CO 0.00 0.54 0.31 0.40 0.02 0.00 0.00 177.57 178.84 1qfx h ILE 158 N 0.01 1.15 -0.18 4.57 2.04 -0.28 -0.35 117.51 124.48 1qfx h ILE 158 Ca -0.03 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1qfx h ILE 158 Cb 1.11 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1qfx h ILE 158 CO 0.09 0.15 -0.07 -0.33 0.00 0.00 0.00 178.15 178.00 1qfx h GLU 159 N 0.67 0.27 -0.14 2.37 4.39 -1.04 -0.43 114.58 120.67 1qfx h GLU 159 Ca 0.18 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1qfx h GLU 159 Cb -0.02 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1qfx h GLU 159 CO -0.03 0.36 -0.20 1.15 -1.16 0.00 0.00 179.01 179.13 1qfx h THR 160 N 0.26 1.36 -0.26 1.13 2.02 -0.96 -2.47 112.91 113.99 1qfx h THR 160 Ca 0.06 -1.41 0.03 0.00 0.77 0.00 0.00 66.41 65.86 1qfx h THR 160 Cb 0.30 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1qfx h THR 160 CO 0.01 0.42 0.06 0.00 0.37 0.00 0.00 175.52 176.38 1qfx h ALA 161 N 0.58 0.27 -0.16 6.16 0.00 -0.60 -1.07 119.26 124.44 1qfx h ALA 161 Ca 0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1qfx h ALA 161 Cb 0.76 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1qfx h ALA 161 CO 0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 179.25 178.86 1qfx h ARG 162 N 0.16 -0.05 0.00 0.00 3.08 -1.07 0.29 114.38 116.78 1qfx h ARG 162 Ca 0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1qfx h ARG 162 Cb 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1qfx h ARG 162 CO -0.15 -0.04 -0.42 0.87 -1.07 0.00 0.00 179.97 179.16 1qfx h LYS 163 N -0.06 0.00 0.14 0.04 1.79 -1.21 -1.19 116.57 116.08 1qfx h LYS 163 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1qfx h LYS 163 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1qfx h LYS 163 CO -0.19 0.42 -0.07 0.35 -1.08 0.00 0.00 179.45 178.88 1qfx h PHE 164 N 0.00 -0.17 -0.92 -1.35 3.04 -0.76 -1.89 116.94 114.89 1qfx h PHE 164 Ca -0.00 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.07 1qfx h PHE 164 Cb 0.78 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 39.27 1qfx h PHE 164 CO 0.00 0.25 0.59 0.78 -2.02 0.00 0.00 178.31 177.90 1qfx h GLY 165 N -0.66 1.34 1.87 2.40 0.00 -0.85 0.15 103.07 107.31 1qfx h GLY 165 Ca -0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1qfx h GLY 165 CO 0.03 0.12 -0.52 -2.09 0.00 0.00 0.00 176.54 174.08 1qfx h GLU 166 N 0.79 0.14 -0.19 4.80 4.81 -1.17 -0.60 114.58 123.17 1qfx h GLU 166 Ca 0.46 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 1qfx h GLU 166 Cb 0.62 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1qfx h GLU 166 CO -0.22 0.63 -0.30 0.78 -0.73 0.00 0.00 179.01 179.17 1qfx h GLY 167 N 1.45 0.59 0.49 1.92 0.00 -0.21 -1.52 103.07 105.79 1qfx h GLY 167 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1qfx h GLY 167 CO 0.08 0.60 -0.10 -2.75 0.00 0.00 0.00 176.54 174.36 1qfx h PHE 168 N 0.20 -0.26 0.00 5.60 3.04 -0.95 -3.28 116.94 121.30 1qfx h PHE 168 Ca 0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1qfx h PHE 168 Cb 0.88 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1qfx h PHE 168 CO 0.09 0.14 -0.12 1.19 -2.02 0.00 0.00 178.31 177.59 1qfx n PHE 169 N -5.00 0.69 0.00 0.41 3.72 -0.24 -4.80 117.46 112.24 1qfx n PHE 169 Ca -0.08 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1qfx n PHE 169 Cb 0.26 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 1qfx n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qfx n GLY 170 N 1.35 2.49 0.35 1.37 0.00 -0.57 -1.00 105.19 109.18 1qfx n GLY 170 Ca 0.05 0.26 0.16 0.00 0.00 0.00 0.00 46.02 46.50 1qfx n GLY 170 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qfx h TYR 171 N 0.00 0.00 -0.35 1.61 0.05 -1.93 -0.84 116.97 115.51 1qfx h TYR 171 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1qfx h TYR 171 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1qfx h TYR 171 CO 0.00 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.20 1qfx n ASN 172 N -3.08 4.01 -0.17 3.88 5.03 -0.17 -4.66 115.26 120.09 1qfx n ASN 172 Ca -0.00 -2.76 -0.08 0.00 0.87 0.00 0.00 54.58 52.61 1qfx n ASN 172 Cb 0.42 -0.51 0.01 0.00 -1.02 0.00 0.00 39.78 38.69 1qfx n ASN 172 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1qfx h TYR 173 N 2.31 0.72 -0.25 3.10 3.20 -1.15 0.20 116.97 125.10 1qfx h TYR 173 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1qfx h TYR 173 Cb 1.37 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1qfx h TYR 173 CO 0.54 0.56 0.16 0.77 -1.64 0.00 0.00 178.16 178.55 1qfx h SER 174 N 0.67 0.28 0.00 -2.11 0.02 -1.83 -3.19 113.55 107.40 1qfx h SER 174 Ca 0.17 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.90 1qfx h SER 174 Cb 0.10 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1qfx h SER 174 CO -0.02 0.21 -1.82 0.35 -1.14 0.00 0.00 176.83 174.40 1qfx n THR 175 N -4.50 0.83 -0.02 -2.27 -2.24 -1.14 -4.79 114.28 100.15 1qfx n THR 175 Ca 0.01 -0.43 0.08 0.00 -2.27 0.00 0.00 64.05 61.43 1qfx n THR 175 Cb 0.08 -0.82 0.17 0.00 -2.10 0.00 0.00 70.33 67.66 1qfx n THR 175 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qfx n ASN 176 N -2.63 3.02 -4.26 3.42 4.13 0.68 -4.89 115.26 114.73 1qfx n ASN 176 Ca -0.22 -1.91 -0.29 0.00 1.68 0.00 0.00 54.58 53.84 1qfx n ASN 176 Cb 0.84 -0.24 -0.16 0.00 -1.54 0.00 0.00 39.78 38.69 1qfx n ASN 176 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qfx s ALA 177 N -1.07 1.93 -0.31 5.41 0.00 -1.20 -0.10 121.76 126.42 1qfx s ALA 177 Ca 0.28 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1qfx s ALA 177 Cb 0.16 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.86 1qfx s ALA 177 CO 0.21 0.45 0.08 0.00 0.00 0.00 0.00 175.76 176.51 1qfx s ALA 178 N -0.46 1.74 -0.04 0.00 0.00 0.05 -4.66 121.76 118.38 1qfx s ALA 178 Ca 0.07 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 1qfx s ALA 178 Cb -0.10 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 1qfx s ALA 178 CO -0.00 -1.64 1.55 -1.17 0.00 0.00 0.00 175.76 174.50 1qfx s LEU 179 N 1.51 4.31 -0.20 0.00 2.96 -1.26 -1.33 118.68 124.66 1qfx s LEU 179 Ca 0.09 2.17 -0.03 0.00 -0.22 0.00 0.00 54.13 56.13 1qfx s LEU 179 Cb -0.18 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1qfx s LEU 179 CO -0.21 -0.86 -0.06 0.20 -1.32 0.00 0.00 176.35 174.10 1qfx s ASN 180 N 2.74 4.25 -0.25 3.68 0.01 0.18 -4.60 114.94 120.95 1qfx s ASN 180 Ca 0.69 -0.37 -0.09 0.00 -0.71 0.00 0.00 52.86 52.37 1qfx s ASN 180 Cb -0.32 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 1qfx s ASN 180 CO 0.27 0.02 0.13 -0.63 -1.51 0.00 0.00 177.10 175.38 1qfx s ILE 181 N 1.25 4.92 -0.29 0.60 1.01 -1.26 -1.74 121.20 125.69 1qfx s ILE 181 Ca 0.03 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1qfx s ILE 181 Cb -0.14 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1qfx s ILE 181 CO -0.02 0.32 0.18 -0.63 0.00 0.00 0.00 174.94 174.79 1qfx s ILE 182 N 1.42 5.09 0.34 2.92 -1.09 0.10 -4.87 121.20 125.11 1qfx s ILE 182 Ca 0.06 -0.02 -0.27 0.00 -2.23 0.00 0.00 60.65 58.19 1qfx s ILE 182 Cb -0.15 -3.48 -0.13 0.00 -1.58 0.00 0.00 42.46 37.13 1qfx s ILE 182 CO 0.06 0.19 1.13 -0.24 -1.23 0.00 0.00 174.94 174.84 1qfx n SER 183 N 5.04 1.90 -0.33 3.58 2.88 -1.26 0.22 113.62 125.65 1qfx n SER 183 Ca -0.14 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.70 1qfx n SER 183 Cb 0.51 -1.38 0.57 0.00 -0.75 0.00 0.00 64.21 63.16 1qfx n SER 183 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1qfx n GLU 184 N 0.53 1.32 -1.94 -1.46 1.02 -1.26 -4.70 120.64 114.15 1qfx n GLU 184 Ca 0.07 -0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 56.15 1qfx n GLU 184 Cb 0.35 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1qfx n GLU 184 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qfx s SER 185 N -2.14 6.32 0.61 1.62 0.15 -1.26 -4.88 113.70 114.11 1qfx s SER 185 Ca 0.36 2.82 0.34 0.00 0.70 0.00 0.00 55.95 60.17 1qfx s SER 185 Cb 0.21 -2.65 1.97 0.00 -1.71 0.00 0.00 66.02 63.84 1qfx s SER 185 CO 0.39 -0.87 2.28 1.05 1.20 0.00 0.00 173.24 177.29 1qfx h GLU 186 N 2.82 0.00 -0.06 5.44 4.11 -1.92 -1.99 114.58 122.99 1qfx h GLU 186 Ca -0.50 0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.95 1qfx h GLU 186 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1qfx h GLU 186 CO 0.63 0.01 0.24 0.28 0.07 0.00 0.00 179.01 180.24 1qfx h VAL 187 N 0.00 0.10 0.00 -1.06 2.07 -1.97 0.20 116.25 115.59 1qfx h VAL 187 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qfx h VAL 187 Cb 0.02 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1qfx h VAL 187 CO 0.00 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.83 1qfx h MET 188 N 0.00 0.00 0.00 1.57 2.86 -1.68 -3.38 114.93 114.30 1qfx h MET 188 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1qfx h MET 188 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1qfx h MET 188 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1qfx n GLY 189 N 0.70 3.51 0.01 8.32 0.00 0.69 -1.17 105.19 117.26 1qfx n GLY 189 Ca 0.04 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1qfx n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfx n ALA 190 N 11.25 2.63 -2.05 4.61 0.00 -0.17 -4.13 120.51 132.66 1qfx n ALA 190 Ca 0.00 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1qfx n ALA 190 Cb 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1qfx n ALA 190 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qfx n ASP 191 N -1.42 6.46 -3.70 0.00 2.03 -0.31 -3.35 116.55 116.26 1qfx n ASP 191 Ca 0.08 -3.04 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 1qfx n ASP 191 Cb 0.32 -1.46 -0.07 0.00 -0.72 0.00 0.00 41.12 39.20 1qfx n ASP 191 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1qfx s SER 192 N 1.01 -0.21 0.00 1.67 0.15 -1.26 -4.84 113.70 110.22 1qfx s SER 192 Ca 0.49 -0.11 0.23 0.00 0.70 0.00 0.00 55.95 57.26 1qfx s SER 192 Cb 0.14 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.97 1qfx s SER 192 CO -0.05 -0.66 1.14 0.18 1.20 0.00 0.00 173.24 175.06 1qfx n LEU 193 N 0.47 0.98 -3.18 3.45 4.77 -1.26 -4.49 117.00 117.74 1qfx n LEU 193 Ca -0.18 -0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 55.22 1qfx n LEU 193 Cb 0.60 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1qfx n LEU 193 CO 0.20 0.22 -0.18 0.35 -1.33 0.00 0.00 177.39 176.66 1qfx n THR 194 N -1.23 0.27 -1.64 -5.08 -2.24 -1.26 -4.89 114.28 98.21 1qfx n THR 194 Ca 0.06 -4.58 -0.41 0.00 -2.27 0.00 0.00 64.05 56.85 1qfx n THR 194 Cb 0.35 -1.11 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1qfx n THR 194 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qfx n PRO 195 N 0.64 1.52 -3.65 -0.78 -0.02 -1.26 -4.93 135.00 126.52 1qfx n PRO 195 Ca 0.25 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.94 1qfx n PRO 195 Cb 0.56 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 1qfx n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qfx s THR 196 N -1.24 5.15 -0.12 3.45 2.01 -1.26 -5.05 115.64 118.58 1qfx s THR 196 Ca 0.62 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.76 1qfx s THR 196 Cb -0.55 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.40 1qfx s THR 196 CO 0.57 0.14 0.25 0.00 -0.69 0.00 0.00 174.62 174.89 1qfx s ASP 198 N 2.16 2.48 0.00 0.00 1.11 -1.25 -5.10 116.67 116.07 1qfx s ASP 198 Ca -0.01 -0.47 0.00 0.00 0.18 0.00 0.00 52.55 52.25 1qfx s ASP 198 Cb -0.12 -0.87 0.00 0.00 1.07 0.00 0.00 42.92 43.01 1qfx s ASP 198 CO -0.08 -0.15 0.00 0.41 1.18 0.00 0.00 175.17 176.53 1qfx n THR 199 N 4.92 -0.10 0.00 -1.27 -1.04 -1.26 -4.69 114.28 110.84 1qfx n THR 199 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1qfx n THR 199 Cb 0.49 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1qfx n THR 199 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1qfx n THR 204 N 2.03 0.00 -0.13 12.58 5.66 -1.26 -4.73 114.28 128.43 1qfx n THR 204 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1qfx n THR 204 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 1qfx n THR 204 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1qfx h THR 205 N 0.00 1.25 -0.78 1.09 2.02 -1.94 -2.54 112.91 112.00 1qfx h THR 205 Ca 0.00 -1.01 0.07 0.00 0.77 0.00 0.00 66.41 66.24 1qfx h THR 205 Cb 0.00 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 1qfx h THR 205 CO 0.00 0.36 0.45 0.00 0.37 0.00 0.00 175.52 176.70 1qfx h ASP 207 N 0.79 0.00 -0.35 0.00 3.32 -1.84 -3.12 116.42 115.23 1qfx h ASP 207 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1qfx h ASP 207 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qfx h ASP 207 CO -0.21 0.28 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 1qfx n ASN 208 N -3.57 2.70 -4.76 6.45 3.02 -0.55 -4.96 115.26 113.59 1qfx n ASN 208 Ca -0.01 -1.90 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 1qfx n ASN 208 Cb 0.42 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 1qfx n ASN 208 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qfx s LEU 209 N -1.40 4.34 0.09 3.41 1.43 -0.98 -4.91 118.68 120.66 1qfx s LEU 209 Ca 0.36 2.96 0.19 0.00 -1.03 0.00 0.00 54.13 56.61 1qfx s LEU 209 Cb 0.20 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1qfx s LEU 209 CO 0.28 -0.85 0.84 0.35 0.23 0.00 0.00 176.35 177.19 1qfx n THR 210 N 1.29 0.87 -2.79 5.49 -2.24 -1.26 -4.97 114.28 110.67 1qfx n THR 210 Ca 0.04 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 1qfx n THR 210 Cb 0.39 -0.51 0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1qfx n THR 210 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1qfx n TYR 211 N -2.74 -1.54 -4.16 4.78 4.02 -1.26 -5.00 117.16 111.27 1qfx n TYR 211 Ca -0.07 0.35 -0.15 0.00 -0.01 0.00 0.00 57.90 58.02 1qfx n TYR 211 Cb 0.72 -4.02 -0.13 0.00 -0.02 0.00 0.00 39.34 35.89 1qfx n TYR 211 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1qfx s GLN 212 N -5.41 0.53 -0.04 -0.72 -1.52 -1.26 -4.91 119.66 106.33 1qfx s GLN 212 Ca 0.20 -0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 53.05 1qfx s GLN 212 Cb -0.09 -0.44 0.02 0.00 -0.22 0.00 0.00 33.01 32.28 1qfx s GLN 212 CO 0.25 0.11 0.25 -0.51 -0.25 0.00 0.00 175.29 175.14 1qfx s LEU 213 N -0.73 1.08 0.40 2.90 1.43 -1.26 -4.94 118.68 117.56 1qfx s LEU 213 Ca -0.02 0.14 0.23 0.00 -1.03 0.00 0.00 54.13 53.46 1qfx s LEU 213 Cb -0.05 1.00 1.30 0.00 0.03 0.00 0.00 46.19 48.46 1qfx s LEU 213 CO 0.00 -0.32 1.64 -0.65 0.23 0.00 0.00 176.35 177.25 1qfx h PRO 214 N 4.54 0.16 -0.25 1.29 0.11 -2.00 -0.89 132.00 134.96 1qfx h PRO 214 Ca -0.29 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.88 1qfx h PRO 214 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1qfx h PRO 214 CO 0.38 0.10 0.25 1.96 -0.21 0.00 0.00 178.00 180.48 1qfx h GLN 215 N 0.16 0.00 0.00 1.05 1.08 -1.96 0.27 115.11 115.71 1qfx h GLN 215 Ca 0.78 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.93 1qfx h GLN 215 Cb 2.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.61 1qfx h GLN 215 CO -0.52 0.00 -0.25 0.74 -0.95 0.00 0.00 178.83 177.86 1qfx h PHE 216 N 0.00 0.00 -0.39 2.96 0.04 -1.52 -1.96 116.94 116.07 1qfx h PHE 216 Ca 0.12 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.75 1qfx h PHE 216 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1qfx h PHE 216 CO 0.00 0.25 -0.32 0.87 -0.60 0.00 0.00 178.31 178.50 1qfx h LYS 217 N 0.00 0.86 -0.58 1.51 1.57 -1.11 -1.30 116.57 117.52 1qfx h LYS 217 Ca -0.00 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1qfx h LYS 217 Cb 0.53 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1qfx h LYS 217 CO 0.03 1.06 0.18 0.28 -0.57 0.00 0.00 179.45 180.43 1qfx h VAL 218 N 0.72 1.24 -0.09 0.50 2.07 -1.37 -1.15 116.25 118.18 1qfx h VAL 218 Ca 0.07 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1qfx h VAL 218 Cb 0.89 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1qfx h VAL 218 CO 0.08 0.31 0.03 0.00 0.02 0.00 0.00 177.57 178.00 1qfx h ALA 219 N 1.05 0.12 -0.40 1.67 0.00 -1.32 -0.43 119.26 119.95 1qfx h ALA 219 Ca 0.19 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1qfx h ALA 219 Cb 0.29 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1qfx h ALA 219 CO -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.05 1qfx h ALA 220 N 0.83 0.43 -0.51 0.00 0.00 -1.09 0.23 119.26 119.14 1qfx h ALA 220 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qfx h ALA 220 Cb 0.23 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1qfx h ALA 220 CO -0.00 -0.33 0.28 0.00 0.00 0.00 0.00 179.25 179.20 1qfx h ALA 221 N 1.30 0.66 -0.51 0.00 0.00 -1.08 -0.95 119.26 118.68 1qfx h ALA 221 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1qfx h ALA 221 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qfx h ALA 221 CO -0.26 0.18 -0.15 -0.09 0.00 0.00 0.00 179.25 178.93 1qfx h ARG 222 N 0.68 1.00 -0.26 0.00 2.43 -0.38 -1.92 114.38 115.93 1qfx h ARG 222 Ca 0.18 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 1qfx h ARG 222 Cb 0.05 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1qfx h ARG 222 CO -0.03 1.08 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.41 1qfx h LEU 223 N 0.86 0.47 -1.09 3.80 3.38 -0.35 -2.48 115.31 119.90 1qfx h LEU 223 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1qfx h LEU 223 Cb 0.72 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1qfx h LEU 223 CO 0.06 0.69 0.42 0.78 0.09 0.00 0.00 178.44 180.48 1qfx h ASN 224 N 0.24 0.94 -0.17 -0.43 2.35 -1.17 -2.31 115.58 115.02 1qfx h ASN 224 Ca 0.07 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1qfx h ASN 224 Cb 0.47 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1qfx h ASN 224 CO 0.02 0.75 -0.19 -1.28 -1.65 0.00 0.00 177.43 175.08 1qfx h SER 225 N 1.06 0.59 0.89 5.81 0.87 -1.24 -2.19 113.55 119.34 1qfx h SER 225 Ca 0.27 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 1qfx h SER 225 Cb 0.01 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1qfx h SER 225 CO -0.04 0.79 -0.87 1.56 -0.53 0.00 0.00 176.83 177.73 1qfx h GLN 226 N 0.53 0.00 -2.32 2.24 4.20 -1.00 -3.39 115.11 115.37 1qfx h GLN 226 Ca 0.09 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.25 1qfx h GLN 226 Cb 0.62 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.04 1qfx h GLN 226 CO 0.04 0.87 -0.89 -0.80 -0.67 0.00 0.00 178.83 177.39 1qfx s ASN 227 N -6.75 1.73 0.52 1.46 0.01 -0.91 -4.59 114.94 106.41 1qfx s ASN 227 Ca 0.00 -2.58 -0.22 0.00 -0.71 0.00 0.00 52.86 49.36 1qfx s ASN 227 Cb 0.11 -0.20 -0.06 0.00 0.41 0.00 0.00 41.25 41.51 1qfx s ASN 227 CO 0.80 -0.22 1.32 -2.84 -1.51 0.00 0.00 177.10 174.65 1qfx s PRO 228 N 0.56 3.31 0.00 -0.60 0.02 -0.83 -4.03 135.00 133.43 1qfx s PRO 228 Ca 0.26 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1qfx s PRO 228 Cb -0.07 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1qfx s PRO 228 CO -0.11 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1qfx n GLY 229 N 0.66 0.92 0.12 0.52 0.00 -1.26 -4.97 105.19 101.18 1qfx n GLY 229 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1qfx n GLY 229 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qfx h MET 230 N 1.71 0.00 -6.32 1.61 2.86 -1.78 -3.46 114.93 109.55 1qfx h MET 230 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 1qfx h MET 230 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1qfx h MET 230 CO 0.00 0.34 -0.82 -1.71 1.06 0.00 0.00 176.91 175.78 1qfx n ASN 231 N -3.03 -2.20 -4.75 1.22 5.15 -1.26 -4.66 115.26 105.74 1qfx n ASN 231 Ca -0.03 -0.87 -0.41 0.00 -0.60 0.00 0.00 54.58 52.67 1qfx n ASN 231 Cb 0.75 -3.63 -0.04 0.00 -0.53 0.00 0.00 39.78 36.34 1qfx n ASN 231 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qfx s LEU 232 N -6.98 4.48 0.52 1.20 1.43 -1.26 -5.04 118.68 113.02 1qfx s LEU 232 Ca 0.27 2.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 1qfx s LEU 232 Cb -0.14 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.51 1qfx s LEU 232 CO 0.85 -0.30 0.54 0.42 0.23 0.00 0.00 176.35 178.08 1qfx s THR 233 N -0.46 2.13 0.46 5.49 -4.23 -1.26 -4.83 115.64 112.93 1qfx s THR 233 Ca 0.50 -1.26 0.25 0.00 -1.18 0.00 0.00 61.69 60.00 1qfx s THR 233 Cb -0.33 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.41 1qfx s THR 233 CO 0.39 0.00 2.10 0.00 -0.54 0.00 0.00 174.62 176.57 1qfx h ALA 234 N 0.61 1.42 -0.10 3.99 0.00 -1.94 -1.28 119.26 121.95 1qfx h ALA 234 Ca -0.36 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 1qfx h ALA 234 Cb 1.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1qfx h ALA 234 CO 0.51 0.13 -0.81 1.03 0.00 0.00 0.00 179.25 180.11 1qfx h SER 235 N 0.00 0.78 -0.41 0.00 0.87 -1.94 -2.29 113.55 110.57 1qfx h SER 235 Ca -0.00 -0.53 -0.11 0.00 -1.23 0.00 0.00 61.79 59.92 1qfx h SER 235 Cb 0.25 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1qfx h SER 235 CO 0.01 1.32 -0.16 0.44 -0.53 0.00 0.00 176.83 177.91 1qfx h ASP 236 N 0.43 0.89 -0.28 6.23 3.32 -1.66 -2.58 116.42 122.76 1qfx h ASP 236 Ca -0.06 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.72 1qfx h ASP 236 Cb 1.42 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1qfx h ASP 236 CO 0.16 1.04 0.12 0.58 -1.72 0.00 0.00 179.24 179.41 1qfx h VAL 237 N 0.78 0.95 -0.54 -1.35 2.07 -1.18 0.73 116.25 117.71 1qfx h VAL 237 Ca 0.12 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1qfx h VAL 237 Cb 0.69 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1qfx h VAL 237 CO 0.05 0.05 0.15 0.22 0.02 0.00 0.00 177.57 178.06 1qfx h TYR 238 N 0.25 0.26 0.00 1.57 3.20 -1.17 0.06 116.97 121.14 1qfx h TYR 238 Ca 0.12 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 1qfx h TYR 238 Cb 0.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1qfx h TYR 238 CO -0.12 0.04 -0.49 -0.91 -1.64 0.00 0.00 178.16 175.05 1qfx h ASN 239 N 0.31 0.00 1.02 -2.11 2.35 -1.04 -1.15 115.58 114.95 1qfx h ASN 239 Ca 0.27 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1qfx h ASN 239 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1qfx h ASN 239 CO -0.31 0.49 -0.54 -0.07 -1.65 0.00 0.00 177.43 175.35 1qfx h LEU 240 N 0.00 0.00 0.12 1.61 3.38 -0.05 -0.86 115.31 119.50 1qfx h LEU 240 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1qfx h LEU 240 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1qfx h LEU 240 CO 0.06 0.54 -1.23 0.24 0.09 0.00 0.00 178.44 178.14 1qfx h MET 241 N 0.00 0.25 -0.44 1.13 2.86 -0.66 -0.80 114.93 117.27 1qfx h MET 241 Ca -0.01 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1qfx h MET 241 Cb 1.19 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.99 1qfx h MET 241 CO 0.07 1.21 0.26 0.28 1.06 0.00 0.00 176.91 179.79 1qfx h VAL 242 N 0.07 1.14 -0.25 -2.22 2.07 -1.11 0.01 116.25 115.96 1qfx h VAL 242 Ca -0.13 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1qfx h VAL 242 Cb 1.96 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1qfx h VAL 242 CO 0.20 0.15 0.16 -0.03 0.02 0.00 0.00 177.57 178.07 1qfx h MET 243 N 0.58 0.33 -0.79 1.57 -1.53 -1.08 -2.11 114.93 111.91 1qfx h MET 243 Ca 0.16 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.35 1qfx h MET 243 Cb 0.01 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 1qfx h MET 243 CO -0.03 0.23 0.32 0.00 0.14 0.00 0.00 176.91 177.57 1qfx h ALA 244 N 1.08 1.02 -0.39 0.39 0.00 -0.84 -1.81 119.26 118.72 1qfx h ALA 244 Ca 0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1qfx h ALA 244 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1qfx h ALA 244 CO -0.02 0.65 -0.06 0.66 0.00 0.00 0.00 179.25 180.47 1qfx h SER 245 N 1.14 0.63 1.53 0.00 4.64 -0.75 -2.61 113.55 118.13 1qfx h SER 245 Ca 0.26 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1qfx h SER 245 Cb 0.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1qfx h SER 245 CO -0.02 0.74 0.00 -0.26 -0.87 0.00 0.00 176.83 176.42 1qfx h PHE 246 N 0.60 0.00 -0.73 4.77 0.04 -1.06 -3.28 116.94 117.29 1qfx h PHE 246 Ca 0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1qfx h PHE 246 Cb 0.48 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1qfx h PHE 246 CO 0.02 0.00 0.37 1.49 -0.60 0.00 0.00 178.31 179.59 1qfx h GLU 247 N 0.00 1.02 -0.39 1.51 4.81 -0.93 -2.35 114.58 118.26 1qfx h GLU 247 Ca 0.00 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1qfx h GLU 247 Cb 0.76 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1qfx h GLU 247 CO 0.00 0.78 0.26 -0.07 -0.73 0.00 0.00 179.01 179.24 1qfx h LEU 248 N 1.02 0.35 -2.06 1.64 3.38 -1.68 -0.46 115.31 117.51 1qfx h LEU 248 Ca 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qfx h LEU 248 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qfx h LEU 248 CO -0.04 0.24 0.07 0.78 0.09 0.00 0.00 178.44 179.59 1qfx h ASN 249 N 0.41 0.00 0.00 -0.43 2.35 -1.62 -2.84 115.58 113.45 1qfx h ASN 249 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1qfx h ASN 249 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1qfx h ASN 249 CO -0.04 0.00 -0.77 0.00 -1.65 0.00 0.00 177.43 174.98 1qfx n ALA 250 N -1.89 1.77 -2.64 -0.83 0.00 -0.49 -4.01 120.51 112.43 1qfx n ALA 250 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1qfx n ALA 250 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 1qfx n ALA 250 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qfx s ARG 251 N -1.65 0.65 0.34 0.00 0.52 -0.30 -3.90 118.95 114.61 1qfx s ARG 251 Ca 0.00 -0.95 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 1qfx s ARG 251 Cb 0.00 -0.31 0.63 0.00 0.52 0.00 0.00 34.95 35.79 1qfx s ARG 251 CO 0.00 0.04 1.83 -1.00 0.02 0.00 0.00 175.30 176.19 1qfx h PRO 252 N 4.01 0.28 -4.77 3.54 0.13 -1.87 -3.37 132.00 129.95 1qfx h PRO 252 Ca -0.36 -0.09 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1qfx h PRO 252 Cb 1.19 -0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 1qfx h PRO 252 CO 0.48 0.50 -0.74 -0.06 -0.23 0.00 0.00 178.00 177.94 1qfx s PHE 253 N -4.54 0.84 -0.18 1.56 0.40 -1.26 -4.99 117.98 109.81 1qfx s PHE 253 Ca -0.05 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1qfx s PHE 253 Cb 0.15 -0.49 0.05 0.00 0.51 0.00 0.00 43.02 43.24 1qfx s PHE 253 CO 0.75 -0.05 -0.03 0.45 0.70 0.00 0.00 175.22 177.05 1qfx s SER 254 N -1.83 2.92 0.40 1.36 0.15 -1.26 -4.83 113.70 110.62 1qfx s SER 254 Ca -0.05 -0.74 0.21 0.00 0.70 0.00 0.00 55.95 56.06 1qfx s SER 254 Cb -0.08 -0.84 0.81 0.00 -1.71 0.00 0.00 66.02 64.20 1qfx s SER 254 CO 0.00 -0.22 1.79 0.78 1.20 0.00 0.00 173.24 176.79 1qfx h ASN 255 N 8.14 0.00 -0.11 5.45 2.35 -2.00 -2.83 115.58 126.58 1qfx h ASN 255 Ca -0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1qfx h ASN 255 Cb 1.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1qfx h ASN 255 CO 0.38 0.31 0.03 -0.50 -1.65 0.00 0.00 177.43 175.99 1qfx h TRP 256 N 0.00 0.26 -0.81 1.19 4.06 -1.93 -1.58 115.95 117.14 1qfx h TRP 256 Ca -0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1qfx h TRP 256 Cb 0.80 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.84 1qfx h TRP 256 CO 0.00 0.26 0.52 0.82 -3.56 0.00 0.00 178.44 176.47 1qfx h ILE 257 N 0.26 1.22 0.00 1.49 2.04 -1.80 -1.73 117.51 118.99 1qfx h ILE 257 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1qfx h ILE 257 Cb 0.14 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1qfx h ILE 257 CO -0.00 0.22 0.00 0.59 0.00 0.00 0.00 178.15 178.96 1qfx n ASN 258 N -4.40 0.44 0.02 1.72 3.02 -0.60 -2.79 115.26 112.67 1qfx n ASN 258 Ca 0.09 0.59 0.14 0.00 -0.03 0.00 0.00 54.58 55.37 1qfx n ASN 258 Cb 0.04 -0.69 0.59 0.00 -0.61 0.00 0.00 39.78 39.11 1qfx n ASN 258 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfx n ALA 259 N -1.67 2.32 -2.62 5.41 0.00 -0.65 -4.80 120.51 118.51 1qfx n ALA 259 Ca 0.03 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1qfx n ALA 259 Cb 0.25 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 1qfx n ALA 259 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qfx s PHE 260 N -3.01 2.67 0.59 0.00 0.08 -1.12 -4.99 117.98 112.20 1qfx s PHE 260 Ca 0.14 -0.22 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 1qfx s PHE 260 Cb 0.18 -1.22 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 1qfx s PHE 260 CO 0.54 0.59 0.88 0.95 -0.10 0.00 0.00 175.22 178.08 1qfx s THR 261 N -2.13 3.16 0.23 0.64 -4.23 -1.26 -4.94 115.64 107.10 1qfx s THR 261 Ca 0.29 -0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1qfx s THR 261 Cb -0.07 -3.26 0.19 0.00 1.34 0.00 0.00 72.50 70.70 1qfx s THR 261 CO 0.18 -0.24 1.86 -0.61 -0.54 0.00 0.00 174.62 175.27 1qfx h GLN 262 N -0.16 0.95 0.00 3.99 5.75 -1.98 -1.47 115.11 122.18 1qfx h GLN 262 Ca -0.45 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 57.93 1qfx h GLN 262 Cb 1.28 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1qfx h GLN 262 CO 0.59 0.63 -0.34 -0.44 -2.65 0.00 0.00 178.83 176.62 1qfx h ASP 263 N 0.98 0.00 -0.11 -0.69 3.32 -1.99 -1.25 116.42 116.67 1qfx h ASP 263 Ca 0.34 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.26 1qfx h ASP 263 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1qfx h ASP 263 CO -0.13 0.34 -0.42 -0.33 -1.72 0.00 0.00 179.24 176.98 1qfx h GLU 264 N 0.00 0.48 -0.98 3.56 5.08 -1.69 -2.79 114.58 118.23 1qfx h GLU 264 Ca -0.00 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1qfx h GLU 264 Cb 0.66 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1qfx h GLU 264 CO 0.04 0.99 0.65 -1.49 -1.00 0.00 0.00 179.01 178.21 1qfx h TRP 265 N 0.06 1.24 -0.97 4.33 4.06 -1.03 0.13 115.95 123.77 1qfx h TRP 265 Ca -0.02 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.00 1qfx h TRP 265 Cb 1.05 -0.42 -0.06 0.00 -1.00 0.00 0.00 29.16 28.73 1qfx h TRP 265 CO 0.11 0.78 0.63 0.28 -3.56 0.00 0.00 178.44 176.69 1qfx h VAL 266 N 1.34 1.15 -0.19 1.49 2.07 -1.20 -0.36 116.25 120.55 1qfx h VAL 266 Ca 0.36 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1qfx h VAL 266 Cb -0.15 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.45 1qfx h VAL 266 CO -0.08 0.22 -0.39 0.28 0.02 0.00 0.00 177.57 177.62 1qfx h SER 267 N 1.21 0.67 0.25 0.57 0.02 -1.01 -2.89 113.55 112.37 1qfx h SER 267 Ca 0.39 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1qfx h SER 267 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1qfx h SER 267 CO -0.13 1.10 -0.26 0.15 -1.14 0.00 0.00 176.83 176.55 1qfx h PHE 268 N 0.27 -0.70 -0.99 3.45 3.57 -0.31 -0.64 116.94 121.59 1qfx h PHE 268 Ca 0.00 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 1qfx h PHE 268 Cb 1.00 0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.91 1qfx h PHE 268 CO 0.09 -0.38 0.62 0.78 -2.23 0.00 0.00 178.31 177.19 1qfx h GLY 269 N -0.55 1.65 1.41 2.40 0.00 -0.60 0.29 103.07 107.67 1qfx h GLY 269 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1qfx h GLY 269 CO -0.07 0.01 -0.35 -1.82 0.00 0.00 0.00 176.54 174.31 1qfx h TYR 270 N 0.79 0.78 -0.82 5.60 3.20 -1.22 -0.16 116.97 125.15 1qfx h TYR 270 Ca 0.54 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1qfx h TYR 270 Cb 0.81 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1qfx h TYR 270 CO -0.00 0.92 0.52 0.28 -1.64 0.00 0.00 178.16 178.23 1qfx h VAL 271 N 0.56 1.22 -0.15 1.81 2.07 0.58 -1.35 116.25 120.99 1qfx h VAL 271 Ca 0.06 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1qfx h VAL 271 Cb 0.86 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1qfx h VAL 271 CO 0.07 0.22 -0.46 -0.33 0.02 0.00 0.00 177.57 177.10 1qfx h GLU 272 N 1.12 0.36 -0.90 1.57 4.39 -0.84 -2.71 114.58 117.57 1qfx h GLU 272 Ca 0.30 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1qfx h GLU 272 Cb -0.08 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1qfx h GLU 272 CO -0.06 0.75 0.49 -0.44 -1.16 0.00 0.00 179.01 178.59 1qfx h ASP 273 N 0.29 1.12 -0.85 1.42 3.32 -0.38 -2.44 116.42 118.90 1qfx h ASP 273 Ca 0.02 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1qfx h ASP 273 Cb 0.92 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1qfx h ASP 273 CO 0.08 0.90 0.49 -0.07 -1.72 0.00 0.00 179.24 178.92 1qfx h LEU 274 N 1.26 1.04 0.21 1.55 3.38 -0.96 -0.34 115.31 121.46 1qfx h LEU 274 Ca 0.32 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1qfx h LEU 274 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1qfx h LEU 274 CO -0.05 0.82 -0.14 -1.13 0.09 0.00 0.00 178.44 178.03 1qfx h ASN 275 N 1.18 -0.36 -0.28 -0.43 -0.73 -1.24 -1.10 115.58 112.62 1qfx h ASN 275 Ca 0.30 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.50 1qfx h ASN 275 Cb -0.01 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 1qfx h ASN 275 CO -0.05 -0.23 0.17 1.88 -0.37 0.00 0.00 177.43 178.83 1qfx h TYR 276 N -0.35 0.38 -0.59 0.67 0.05 -1.31 0.25 116.97 116.08 1qfx h TYR 276 Ca -0.01 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.85 1qfx h TYR 276 Cb 0.30 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.85 1qfx h TYR 276 CO -0.10 0.29 0.21 -0.92 -1.05 0.00 0.00 178.16 176.59 1qfx h TYR 277 N 0.36 0.37 0.00 4.88 3.20 -0.86 0.18 116.97 125.10 1qfx h TYR 277 Ca 0.10 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.76 1qfx h TYR 277 Cb 0.02 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1qfx h TYR 277 CO -0.04 0.09 -1.68 0.66 -1.64 0.00 0.00 178.16 175.55 1qfx n TYR 278 N -5.01 0.83 -0.01 -3.82 4.01 -0.43 0.07 117.16 112.80 1qfx n TYR 278 Ca 0.08 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1qfx n TYR 278 Cb 0.26 -1.10 -0.12 0.00 -0.31 0.00 0.00 39.34 38.08 1qfx n TYR 278 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qfx n ALA 280 N -2.45 2.28 -3.02 0.00 0.00 0.37 -5.00 120.51 112.69 1qfx n ALA 280 Ca -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1qfx n ALA 280 Cb 0.85 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1qfx n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfx n GLY 281 N 0.14 4.94 0.18 0.00 0.00 0.24 -3.57 105.19 107.12 1qfx n GLY 281 Ca -0.01 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.59 1qfx n GLY 281 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qfx h PRO 282 N 0.00 0.00 0.00 1.61 0.11 -1.85 -0.51 132.00 131.36 1qfx h PRO 282 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qfx h PRO 282 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qfx h PRO 282 CO 0.00 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.57 1qfx h GLY 283 N 0.00 0.00 -7.15 -0.55 0.00 -0.67 -3.38 103.07 91.33 1qfx h GLY 283 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1qfx h GLY 283 CO 0.00 0.00 -0.75 -0.35 0.00 0.00 0.00 176.54 175.44 1qfx s ASP 284 N -5.17 4.34 0.29 0.19 -1.08 -0.20 -4.85 116.67 110.18 1qfx s ASP 284 Ca 0.02 -0.90 0.23 0.00 -0.52 0.00 0.00 52.55 51.38 1qfx s ASP 284 Cb 0.09 -1.66 1.08 0.00 -1.46 0.00 0.00 42.92 40.96 1qfx s ASP 284 CO 0.49 -0.13 1.69 2.29 0.52 0.00 0.00 175.17 180.02 1qfx n LYS 285 N 4.66 0.17 0.01 4.34 2.85 -1.26 -2.32 118.16 126.61 1qfx n LYS 285 Ca -0.16 0.53 0.13 0.00 -1.05 0.00 0.00 58.31 57.76 1qfx n LYS 285 Cb 0.47 -1.92 0.36 0.00 -0.65 0.00 0.00 35.03 33.29 1qfx n LYS 285 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1qfx n ASN 286 N -2.25 0.37 -0.01 -5.58 3.02 -1.26 -4.13 115.26 105.42 1qfx n ASN 286 Ca 0.00 0.05 -0.02 0.00 -0.03 0.00 0.00 54.58 54.59 1qfx n ASN 286 Cb 0.13 -0.03 0.25 0.00 -0.61 0.00 0.00 39.78 39.52 1qfx n ASN 286 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1qfx h MET 287 N 0.00 0.53 -0.81 3.52 2.86 -1.73 -2.74 114.93 116.57 1qfx h MET 287 Ca 0.00 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1qfx h MET 287 Cb 0.53 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1qfx h MET 287 CO 0.00 0.62 0.43 0.00 1.06 0.00 0.00 176.91 179.03 1qfx h ALA 288 N 1.42 1.04 -0.61 6.32 0.00 -1.77 -0.99 119.26 124.67 1qfx h ALA 288 Ca 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1qfx h ALA 288 Cb 0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1qfx h ALA 288 CO 0.02 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.95 1qfx h ALA 289 N 1.23 1.07 -0.46 0.00 0.00 -1.75 -0.34 119.26 119.01 1qfx h ALA 289 Ca 0.28 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1qfx h ALA 289 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1qfx h ALA 289 CO -0.04 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 1qfx h VAL 290 N 0.91 1.27 0.00 0.00 2.07 -1.16 -2.96 116.25 116.37 1qfx h VAL 290 Ca 0.19 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1qfx h VAL 290 Cb 0.36 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1qfx h VAL 290 CO 0.00 0.38 0.00 1.23 0.02 0.00 0.00 177.57 179.21 1qfx h GLY 291 N 0.68 0.00 2.00 2.17 0.00 -0.85 -3.12 103.07 103.95 1qfx h GLY 291 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1qfx h GLY 291 CO 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.42 1qfx h ALA 292 N 2.27 1.24 0.52 3.60 0.00 -0.89 -1.82 119.26 124.18 1qfx h ALA 292 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1qfx h ALA 292 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qfx h ALA 292 CO 0.00 0.19 -0.34 0.28 0.00 0.00 0.00 179.25 179.37 1qfx h VAL 293 N 0.00 0.30 -0.28 0.00 2.07 -1.66 0.35 116.25 117.02 1qfx h VAL 293 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1qfx h VAL 293 Cb 0.43 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1qfx h VAL 293 CO 0.02 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 177.74 1qfx h TYR 294 N -0.83 0.64 -0.51 1.57 5.03 -1.76 -1.47 116.97 119.64 1qfx h TYR 294 Ca -0.06 -0.14 0.06 0.00 2.58 0.00 0.00 58.73 61.16 1qfx h TYR 294 Cb 0.69 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.77 1qfx h TYR 294 CO -0.12 0.78 0.22 0.00 -1.32 0.00 0.00 178.16 177.73 1qfx h ALA 295 N 0.77 0.64 -0.12 1.82 0.00 -1.27 -0.41 119.26 120.69 1qfx h ALA 295 Ca 0.07 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1qfx h ALA 295 Cb 0.59 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qfx h ALA 295 CO 0.03 -0.15 -0.63 -0.97 0.00 0.00 0.00 179.25 177.54 1qfx h ASN 296 N 0.44 0.76 -0.48 0.00 -1.24 -0.90 -2.37 115.58 111.79 1qfx h ASN 296 Ca 0.23 -0.64 -0.03 0.00 0.71 0.00 0.00 56.30 56.57 1qfx h ASN 296 Cb 0.19 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 1qfx h ASN 296 CO -0.20 1.28 0.18 0.00 -1.29 0.00 0.00 177.43 177.40 1qfx h ALA 297 N 0.50 0.63 -0.22 1.57 0.00 -1.15 -2.10 119.26 118.49 1qfx h ALA 297 Ca -0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1qfx h ALA 297 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1qfx h ALA 297 CO 0.13 0.25 -0.20 0.66 0.00 0.00 0.00 179.25 180.10 1qfx h SER 298 N 0.64 0.37 -0.97 0.00 4.64 -1.12 -1.82 113.55 115.28 1qfx h SER 298 Ca 0.16 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1qfx h SER 298 Cb 0.22 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1qfx h SER 298 CO -0.01 0.58 0.61 0.25 -0.87 0.00 0.00 176.83 177.39 1qfx h LEU 299 N 0.35 1.15 -0.51 5.97 5.85 -1.01 -1.19 115.31 125.91 1qfx h LEU 299 Ca 0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1qfx h LEU 299 Cb 0.55 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1qfx h LEU 299 CO 0.04 0.86 0.33 0.74 -0.34 0.00 0.00 178.44 180.07 1qfx h THR 300 N 1.33 1.14 -0.85 1.05 2.02 -0.67 -0.32 112.91 116.61 1qfx h THR 300 Ca 0.35 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1qfx h THR 300 Cb -0.10 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1qfx h THR 300 CO -0.07 0.14 0.47 -0.07 0.37 0.00 0.00 175.52 176.36 1qfx h LEU 301 N 0.69 1.06 -0.45 2.58 3.38 -0.99 -0.53 115.31 121.06 1qfx h LEU 301 Ca 0.19 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1qfx h LEU 301 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1qfx h LEU 301 CO -0.04 0.85 0.05 -0.07 0.09 0.00 0.00 178.44 179.32 1qfx h LEU 302 N 1.19 0.74 -0.76 1.67 3.38 -0.60 -0.58 115.31 120.35 1qfx h LEU 302 Ca 0.30 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1qfx h LEU 302 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1qfx h LEU 302 CO -0.05 0.83 -0.46 0.78 0.09 0.00 0.00 178.44 179.63 1qfx h ASN 303 N 0.62 0.40 -0.33 -0.43 2.35 -0.85 -3.02 115.58 114.33 1qfx h ASN 303 Ca 0.13 -0.19 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 1qfx h ASN 303 Cb 0.42 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1qfx h ASN 303 CO 0.01 0.80 -0.46 1.56 -1.65 0.00 0.00 177.43 177.69 1qfx h GLN 304 N 0.30 0.89 0.00 0.81 4.20 -0.99 -3.50 115.11 116.83 1qfx h GLN 304 Ca 0.02 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1qfx h GLN 304 Cb 0.92 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1qfx h GLN 304 CO 0.08 1.16 0.00 0.41 -0.67 0.00 0.00 178.83 179.81 1qfx n GLY 305 N 0.27 1.32 0.32 3.46 0.00 -0.24 -4.43 105.19 105.88 1qfx n GLY 305 Ca -0.04 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 1qfx n GLY 305 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfx h PRO 306 N 0.00 1.12 -0.65 1.61 0.13 -1.81 -0.92 132.00 131.47 1qfx h PRO 306 Ca 0.00 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1qfx h PRO 306 Cb 0.00 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 30.94 1qfx h PRO 306 CO 0.00 0.95 0.39 -0.22 -0.23 0.00 0.00 178.00 178.90 1qfx h LYS 307 N 1.06 0.89 0.00 0.86 3.64 -1.86 0.23 116.57 121.39 1qfx h LYS 307 Ca 0.23 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1qfx h LYS 307 Cb 0.30 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1qfx h LYS 307 CO -0.01 0.64 -0.15 1.49 -2.27 0.00 0.00 179.45 179.15 1qfx h GLU 308 N 0.89 0.00 0.00 1.90 4.81 -1.76 -3.40 114.58 117.02 1qfx h GLU 308 Ca 0.23 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1qfx h GLU 308 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1qfx h GLU 308 CO -0.04 0.91 -1.26 0.00 -0.73 0.00 0.00 179.01 177.89 1qfx n ALA 309 N -2.73 2.38 0.00 2.92 0.00 -0.35 -5.05 120.51 117.68 1qfx n ALA 309 Ca -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1qfx n ALA 309 Cb 0.46 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1qfx n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfx n GLY 310 N 1.26 3.31 0.02 0.00 0.00 0.07 -4.98 105.19 104.87 1qfx n GLY 310 Ca -0.04 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.30 1qfx n GLY 310 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfx n SER 311 N 0.00 0.38 -3.95 1.61 3.41 -1.25 -4.24 113.62 109.57 1qfx n SER 311 Ca 0.00 -0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.10 1qfx n SER 311 Cb 0.00 1.47 -0.16 0.00 -0.26 0.00 0.00 64.21 65.26 1qfx n SER 311 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qfx s LEU 312 N -4.17 1.83 -0.38 1.04 1.43 -1.26 -0.42 118.68 116.75 1qfx s LEU 312 Ca -0.02 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1qfx s LEU 312 Cb 0.14 -1.07 0.11 0.00 0.03 0.00 0.00 46.19 45.40 1qfx s LEU 312 CO 0.87 -0.14 0.12 -0.36 0.23 0.00 0.00 176.35 177.08 1qfx s PHE 313 N 1.53 3.00 -0.39 0.29 0.40 0.41 -4.87 117.98 118.36 1qfx s PHE 313 Ca 0.01 -2.70 -0.15 0.00 -0.60 0.00 0.00 56.93 53.49 1qfx s PHE 313 Cb -0.15 -2.53 0.01 0.00 0.51 0.00 0.00 43.02 40.86 1qfx s PHE 313 CO -0.08 -0.87 0.35 -0.06 0.70 0.00 0.00 175.22 175.25 1qfx s PHE 314 N 0.75 3.21 0.07 0.36 0.08 -1.26 -0.86 117.98 120.33 1qfx s PHE 314 Ca 0.13 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.92 1qfx s PHE 314 Cb -0.21 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 1qfx s PHE 314 CO -0.09 -0.55 -0.14 -0.80 -0.10 0.00 0.00 175.22 173.54 1qfx s ASN 315 N 1.74 4.12 -0.04 1.36 0.01 -0.05 -1.30 114.94 120.79 1qfx s ASN 315 Ca 0.09 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 1qfx s ASN 315 Cb -0.18 -0.74 0.02 0.00 0.41 0.00 0.00 41.25 40.76 1qfx s ASN 315 CO 0.12 0.22 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.51 1qfx s PHE 316 N -1.06 0.74 0.00 2.20 0.40 -0.04 -0.81 117.98 119.41 1qfx s PHE 316 Ca 0.18 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1qfx s PHE 316 Cb -0.11 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.80 1qfx s PHE 316 CO 0.09 -0.15 0.00 0.00 0.70 0.00 0.00 175.22 175.86 1qfx n ALA 317 N 3.77 0.00 -2.51 5.36 0.00 -0.51 -1.52 120.51 125.10 1qfx n ALA 317 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1qfx n ALA 317 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1qfx n ALA 317 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1qfx s HIS 318 N -0.19 2.68 0.21 0.00 3.76 -1.26 -2.05 115.29 118.44 1qfx s HIS 318 Ca 0.00 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 1qfx s HIS 318 Cb 0.00 -1.66 0.27 0.00 1.11 0.00 0.00 32.58 32.30 1qfx s HIS 318 CO 0.00 0.33 1.73 0.38 -0.85 0.00 0.00 174.74 176.33 1qfx h ASP 319 N 1.55 0.15 0.00 1.40 2.03 -1.95 -0.36 116.42 119.24 1qfx h ASP 319 Ca -0.43 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 1qfx h ASP 319 Cb 1.25 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1qfx h ASP 319 CO 0.64 0.09 0.00 0.35 -1.03 0.00 0.00 179.24 179.29 1qfx n THR 320 N -5.04 0.00 -0.03 1.15 -2.24 -1.26 -1.64 114.28 105.21 1qfx n THR 320 Ca 0.08 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1qfx n THR 320 Cb 0.28 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.72 1qfx n THR 320 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qfx n ASN 321 N -0.91 1.58 0.08 3.42 5.03 -0.17 -4.39 115.26 119.90 1qfx n ASN 321 Ca 0.09 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.31 1qfx n ASN 321 Cb 0.04 1.31 -0.15 0.00 -1.02 0.00 0.00 39.78 39.96 1qfx n ASN 321 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1qfx h ILE 322 N 0.00 1.11 -0.87 2.41 2.04 -1.04 -3.33 117.51 117.84 1qfx h ILE 322 Ca -0.17 -2.55 0.04 0.00 1.00 0.00 0.00 64.86 63.18 1qfx h ILE 322 Cb 1.21 2.89 -0.05 0.00 -0.74 0.00 0.00 36.82 40.12 1qfx h ILE 322 CO 0.01 0.80 0.57 0.71 0.00 0.00 0.00 178.15 180.24 1qfx h THR 323 N -0.01 1.14 0.00 -0.27 1.35 -1.65 -1.28 112.91 112.20 1qfx h THR 323 Ca -0.29 -0.37 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 1qfx h THR 323 Cb 2.01 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1qfx h THR 323 CO 0.18 0.20 -0.31 -0.65 -0.25 0.00 0.00 175.52 174.69 1qfx h PRO 324 N 1.08 0.00 -0.25 4.72 0.11 -1.70 -1.06 132.00 134.89 1qfx h PRO 324 Ca 0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.39 1qfx h PRO 324 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1qfx h PRO 324 CO -0.10 0.31 -0.09 0.82 -0.21 0.00 0.00 178.00 178.73 1qfx h ILE 325 N 0.00 1.29 -0.68 4.15 2.04 -1.36 0.17 117.51 123.12 1qfx h ILE 325 Ca -0.00 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1qfx h ILE 325 Cb 0.61 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1qfx h ILE 325 CO 0.04 0.35 0.39 -0.07 0.00 0.00 0.00 178.15 178.86 1qfx h LEU 326 N 0.24 0.84 -0.45 1.44 3.38 -1.15 0.59 115.31 120.20 1qfx h LEU 326 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qfx h LEU 326 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1qfx h LEU 326 CO 0.03 0.68 0.27 0.00 0.09 0.00 0.00 178.44 179.51 1qfx h ALA 327 N 1.19 0.58 -0.80 1.53 0.00 -0.98 -1.59 119.26 119.19 1qfx h ALA 327 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1qfx h ALA 327 Cb 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1qfx h ALA 327 CO -0.04 0.07 0.52 0.00 0.00 0.00 0.00 179.25 179.79 1qfx h ALA 328 N 1.12 1.04 0.00 0.00 0.00 0.14 -1.87 119.26 119.69 1qfx h ALA 328 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qfx h ALA 328 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1qfx h ALA 328 CO -0.03 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1qfx n LEU 329 N -4.57 0.66 -0.60 0.00 4.77 0.12 -4.71 117.00 112.68 1qfx n LEU 329 Ca 0.09 0.63 -0.06 0.00 -0.03 0.00 0.00 56.01 56.64 1qfx n LEU 329 Cb 0.07 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1qfx n LEU 329 CO 0.34 -0.41 -0.07 0.61 -1.33 0.00 0.00 177.39 176.53 1qfx n GLY 330 N 0.45 0.38 3.70 -0.72 0.00 -0.63 -5.04 105.19 103.32 1qfx n GLY 330 Ca 0.03 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1qfx n GLY 330 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qfx s VAL 331 N -2.27 4.15 -1.30 1.61 -7.23 -1.04 -4.62 120.40 109.69 1qfx s VAL 331 Ca 0.00 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1qfx s VAL 331 Cb 0.00 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1qfx s VAL 331 CO 0.00 0.20 0.95 0.18 -0.31 0.00 0.00 175.10 176.12 1qfx n LEU 332 N 0.79 -3.49 -4.44 1.32 4.77 -1.26 -4.51 117.00 110.19 1qfx n LEU 332 Ca -0.11 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 1qfx n LEU 332 Cb 0.52 -2.92 -0.10 0.00 -2.33 0.00 0.00 43.42 38.59 1qfx n LEU 332 CO 0.38 0.45 -0.10 -0.63 -1.33 0.00 0.00 177.39 176.17 1qfx s ILE 333 N -3.43 5.06 0.58 -0.08 -1.09 -1.26 -4.61 121.20 116.36 1qfx s ILE 333 Ca 0.19 -0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 57.72 1qfx s ILE 333 Cb -0.09 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1qfx s ILE 333 CO 0.76 -0.28 1.02 -2.65 -1.23 0.00 0.00 174.94 172.56 1qfx n PRO 334 N 5.11 1.02 0.30 2.79 -0.02 -1.26 -4.84 135.00 138.10 1qfx n PRO 334 Ca -0.11 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 61.93 1qfx n PRO 334 Cb 0.47 -2.21 0.94 0.00 -0.02 0.00 0.00 33.50 32.68 1qfx n PRO 334 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1qfx h ASN 335 N 0.68 0.00 -5.07 2.55 2.35 -2.01 -3.43 115.58 110.65 1qfx h ASN 335 Ca -0.48 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.20 1qfx h ASN 335 Cb 1.35 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.58 1qfx h ASN 335 CO 0.52 0.04 -0.14 -1.61 -1.65 0.00 0.00 177.43 174.59 1qfx s GLU 336 N -4.21 0.96 0.35 0.81 2.02 -1.26 -5.13 118.70 112.23 1qfx s GLU 336 Ca -0.04 -0.61 -0.28 0.00 0.02 0.00 0.00 54.97 54.07 1qfx s GLU 336 Cb 0.13 0.42 -0.12 0.00 0.10 0.00 0.00 34.13 34.66 1qfx s GLU 336 CO 0.51 -0.35 1.31 -0.25 0.02 0.00 0.00 175.26 176.50 1qfx n ASP 337 N 0.12 2.87 -4.73 -0.19 8.00 -1.26 -4.90 116.55 116.46 1qfx n ASP 337 Ca -0.17 1.21 -0.42 0.00 0.71 0.00 0.00 54.79 56.12 1qfx n ASP 337 Cb 0.62 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 1qfx n ASP 337 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qfx s LEU 338 N -1.16 4.37 0.39 0.64 1.43 -1.26 -4.96 118.68 118.13 1qfx s LEU 338 Ca 0.55 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 56.09 1qfx s LEU 338 Cb -0.56 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 1qfx s LEU 338 CO 0.62 -0.81 1.25 -2.16 0.23 0.00 0.00 176.35 175.49 1qfx s PRO 339 N 0.41 4.07 0.31 1.29 0.04 -1.26 -4.96 135.00 134.90 1qfx s PRO 339 Ca 0.66 2.05 0.22 0.00 0.04 0.00 0.00 61.00 63.97 1qfx s PRO 339 Cb -0.44 -2.79 0.15 0.00 0.04 0.00 0.00 34.50 31.46 1qfx s PRO 339 CO 0.38 -0.38 1.32 -0.07 0.04 0.00 0.00 177.00 178.29 1qfx h LEU 340 N 2.80 0.00 -1.64 -3.56 3.38 -2.01 -3.37 115.31 110.90 1qfx h LEU 340 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1qfx h LEU 340 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1qfx h LEU 340 CO 0.63 0.06 -0.10 -0.90 0.09 0.00 0.00 178.44 178.22 1qfx n ASP 341 N -2.92 2.60 -3.56 -0.43 5.75 -1.26 -4.97 116.55 111.77 1qfx n ASP 341 Ca 0.01 -1.80 -0.11 0.00 -0.01 0.00 0.00 54.79 52.88 1qfx n ASP 341 Cb 0.57 0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.73 1qfx n ASP 341 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qfx s ARG 342 N -1.93 1.13 -0.19 0.11 1.70 -1.26 -4.87 118.95 113.64 1qfx s ARG 342 Ca 0.23 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.64 1qfx s ARG 342 Cb 0.18 0.51 -0.00 0.00 -0.57 0.00 0.00 34.95 35.06 1qfx s ARG 342 CO 0.33 -0.45 1.17 0.08 -1.08 0.00 0.00 175.30 175.35 1qfx s VAL 343 N -3.56 4.44 -1.20 4.99 1.01 -1.26 -4.65 120.40 120.18 1qfx s VAL 343 Ca 0.01 1.74 -0.15 0.00 0.00 0.00 0.00 61.98 63.58 1qfx s VAL 343 Cb 0.01 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1qfx s VAL 343 CO -0.11 -0.16 1.46 0.00 0.00 0.00 0.00 175.10 176.30 1qfx s ALA 344 N 3.38 3.82 0.21 5.51 0.00 -1.26 -5.00 121.76 128.42 1qfx s ALA 344 Ca 0.50 -3.22 -0.32 0.00 0.00 0.00 0.00 51.96 48.92 1qfx s ALA 344 Cb -0.19 -4.21 -0.14 0.00 0.00 0.00 0.00 23.12 18.58 1qfx s ALA 344 CO 0.11 -2.89 1.45 1.19 0.00 0.00 0.00 175.76 175.62 1qfx n PHE 345 N 6.23 2.14 -0.52 0.00 3.72 -1.26 -2.78 117.46 124.99 1qfx n PHE 345 Ca 0.38 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 58.18 1qfx n PHE 345 Cb 0.44 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 1qfx n PHE 345 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qfx n GLY 346 N 2.55 1.10 3.77 1.37 0.00 -1.26 -5.04 105.19 107.67 1qfx n GLY 346 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1qfx n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfx s ASN 347 N -3.08 5.46 0.31 1.61 2.20 -1.12 -4.92 114.94 115.41 1qfx s ASN 347 Ca 0.00 2.13 0.25 0.00 -0.94 0.00 0.00 52.86 54.30 1qfx s ASN 347 Cb 0.00 -2.57 1.11 0.00 -2.00 0.00 0.00 41.25 37.79 1qfx s ASN 347 CO 0.00 -1.39 1.75 1.55 -2.94 0.00 0.00 177.10 176.06 1qfx h PRO 348 N 0.77 0.00 -2.92 3.55 0.13 -1.92 -3.37 132.00 128.24 1qfx h PRO 348 Ca -0.49 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 1qfx h PRO 348 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1qfx h PRO 348 CO 0.56 0.00 3.40 0.98 -0.23 0.00 0.00 178.00 182.71 1qfx n TYR 349 N -2.35 2.51 -3.30 1.56 9.36 -1.26 -4.84 117.16 118.83 1qfx n TYR 349 Ca 0.01 -3.01 -0.46 0.00 3.32 0.00 0.00 57.90 57.75 1qfx n TYR 349 Cb 0.18 -2.30 -0.03 0.00 -0.63 0.00 0.00 39.34 36.56 1qfx n TYR 349 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1qfx s SER 350 N 1.64 6.49 0.54 2.98 0.15 -1.26 -4.85 113.70 119.40 1qfx s SER 350 Ca 0.64 -2.23 0.32 0.00 0.70 0.00 0.00 55.95 55.38 1qfx s SER 350 Cb 0.18 -2.22 1.49 0.00 -1.71 0.00 0.00 66.02 63.76 1qfx s SER 350 CO -0.07 -0.74 1.87 0.40 1.20 0.00 0.00 173.24 175.90 1qfx h ILE 351 N 5.33 0.51 0.00 6.45 1.08 -1.89 0.30 117.51 129.30 1qfx h ILE 351 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1qfx h ILE 351 Cb 1.07 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1qfx h ILE 351 CO 0.90 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.97 1qfx n GLY 352 N -1.71 -1.13 0.74 5.37 0.00 -1.25 -0.95 105.19 106.25 1qfx n GLY 352 Ca 0.19 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1qfx n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qfx n ASN 353 N -2.19 3.03 0.02 1.61 3.02 0.10 -4.55 115.26 116.29 1qfx n ASN 353 Ca 0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1qfx n ASN 353 Cb 0.17 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1qfx n ASN 353 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qfx n ILE 354 N 0.71 0.21 -3.18 2.41 5.41 -0.42 -4.81 119.36 119.70 1qfx n ILE 354 Ca 0.13 0.07 -0.24 0.00 1.00 0.00 0.00 62.75 63.71 1qfx n ILE 354 Cb 0.45 -0.90 -0.05 0.00 -0.71 0.00 0.00 39.64 38.42 1qfx n ILE 354 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1qfx n VAL 355 N -2.72 1.14 -1.55 1.39 0.24 -0.13 -4.53 118.33 112.17 1qfx n VAL 355 Ca 0.00 -4.86 -0.30 0.00 -2.04 0.00 0.00 64.34 57.15 1qfx n VAL 355 Cb 0.00 -1.40 0.20 0.00 -1.47 0.00 0.00 33.84 31.16 1qfx n VAL 355 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1qfx s PRO 356 N -2.41 0.06 0.19 7.34 0.04 -1.24 -4.38 135.00 134.61 1qfx s PRO 356 Ca 0.41 -0.16 -0.33 0.00 0.04 0.00 0.00 61.00 60.97 1qfx s PRO 356 Cb 0.24 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.88 1qfx s PRO 356 CO -0.09 -2.84 1.40 -1.33 0.04 0.00 0.00 177.00 174.18 1qfx n MET 357 N -4.12 1.82 -0.99 4.56 2.81 -0.87 -1.10 117.12 119.23 1qfx n MET 357 Ca 0.13 0.65 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 1qfx n MET 357 Cb 0.59 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 1qfx n MET 357 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qfx n GLY 358 N 2.47 0.35 3.54 3.03 0.00 -0.38 -3.11 105.19 111.09 1qfx n GLY 358 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1qfx n GLY 358 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qfx s GLY 359 N -2.00 1.59 -0.13 -0.02 0.00 -0.26 -4.47 107.32 102.03 1qfx s GLY 359 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1qfx s GLY 359 CO 0.00 0.76 0.83 -2.38 0.00 0.00 0.00 173.10 172.31 1qfx s HIS 360 N -2.50 -0.54 -0.25 1.90 -3.43 -1.26 -0.77 115.29 108.44 1qfx s HIS 360 Ca 0.68 1.01 -0.03 0.00 -0.80 0.00 0.00 55.06 55.93 1qfx s HIS 360 Cb -0.25 0.41 0.02 0.00 -1.43 0.00 0.00 32.58 31.33 1qfx s HIS 360 CO 0.63 -0.45 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.70 1qfx s LEU 361 N -0.90 3.21 -0.19 5.38 2.96 -0.56 -1.79 118.68 126.79 1qfx s LEU 361 Ca -0.05 -0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1qfx s LEU 361 Cb -0.01 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1qfx s LEU 361 CO 0.05 -0.12 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.99 1qfx s THR 362 N 1.38 3.14 -0.29 3.68 2.01 -0.20 -1.20 115.64 124.15 1qfx s THR 362 Ca 0.02 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 1qfx s THR 362 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1qfx s THR 362 CO -0.03 0.46 0.19 -0.63 -0.69 0.00 0.00 174.62 173.92 1qfx s ILE 363 N 1.17 5.16 -0.17 1.82 1.01 0.68 -0.93 121.20 129.95 1qfx s ILE 363 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 1qfx s ILE 363 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1qfx s ILE 363 CO -0.02 0.18 0.04 -1.61 0.00 0.00 0.00 174.94 173.53 1qfx s GLU 364 N 1.73 3.84 -0.23 2.79 2.02 0.06 -1.28 118.70 127.63 1qfx s GLU 364 Ca 0.07 -0.37 -0.14 0.00 0.02 0.00 0.00 54.97 54.55 1qfx s GLU 364 Cb -0.16 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1qfx s GLU 364 CO 0.10 0.32 0.32 0.50 0.02 0.00 0.00 175.26 176.52 1qfx s ARG 365 N 0.22 4.11 -0.13 1.61 3.52 0.23 -1.34 118.95 127.17 1qfx s ARG 365 Ca 0.03 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.62 1qfx s ARG 365 Cb -0.13 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1qfx s ARG 365 CO 0.01 -0.06 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.92 1qfx s LEU 366 N 1.39 3.46 -0.35 -0.88 1.43 0.12 -0.82 118.68 123.02 1qfx s LEU 366 Ca 0.15 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1qfx s LEU 366 Cb -0.15 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1qfx s LEU 366 CO 0.07 0.24 0.17 -0.55 0.23 0.00 0.00 176.35 176.52 1qfx s SER 367 N -0.08 5.59 -0.00 2.29 0.15 0.65 -0.36 113.70 121.94 1qfx s SER 367 Ca 0.03 -0.94 0.08 0.00 0.70 0.00 0.00 55.95 55.82 1qfx s SER 367 Cb -0.13 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 1qfx s SER 367 CO 0.02 -0.34 -0.24 0.00 1.20 0.00 0.00 173.24 173.89 1qfx s GLN 369 N -0.85 1.30 0.42 0.00 -0.21 0.22 -0.56 119.66 119.98 1qfx s GLN 369 Ca 0.11 -0.21 -0.25 0.00 0.02 0.00 0.00 55.36 55.04 1qfx s GLN 369 Cb -0.10 -1.92 -0.08 0.00 1.00 0.00 0.00 33.01 31.91 1qfx s GLN 369 CO 0.01 -1.99 1.24 0.00 -2.12 0.00 0.00 175.29 172.42 1qfx s ALA 370 N -3.71 3.14 0.34 6.09 0.00 -1.26 -4.36 121.76 122.00 1qfx s ALA 370 Ca 0.68 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.78 1qfx s ALA 370 Cb -0.07 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1qfx s ALA 370 CO 0.51 -0.74 0.07 0.95 0.00 0.00 0.00 175.76 176.54 1qfx s THR 371 N -1.36 1.09 -0.65 0.00 -4.23 0.15 -4.92 115.64 105.73 1qfx s THR 371 Ca 0.59 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1qfx s THR 371 Cb -0.34 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 70.90 1qfx s THR 371 CO 0.43 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 175.85 1qfx n ALA 372 N -0.73 1.10 -0.06 3.99 0.00 -1.26 -1.95 120.51 121.60 1qfx n ALA 372 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1qfx n ALA 372 Cb 0.66 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1qfx n ALA 372 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1qfx n LEU 373 N -1.85 0.95 -3.62 0.00 -0.00 -1.26 -5.08 117.00 106.14 1qfx n LEU 373 Ca -0.00 -0.95 -0.12 0.00 -0.00 0.00 0.00 56.01 54.93 1qfx n LEU 373 Cb 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.41 1qfx n LEU 373 CO 0.06 0.24 0.20 -0.94 -0.00 0.00 0.00 177.39 176.95 1qfx s SER 374 N -0.01 -0.32 0.58 1.45 1.04 -0.82 -4.88 113.70 110.73 1qfx s SER 374 Ca 0.00 -0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.28 1qfx s SER 374 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1qfx s SER 374 CO 0.00 -0.75 0.97 -1.81 0.98 0.00 0.00 173.24 172.63 1qfx s ASP 375 N -2.27 6.27 0.36 7.02 1.01 -1.26 -0.67 116.67 127.13 1qfx s ASP 375 Ca -0.02 1.33 -0.28 0.00 0.71 0.00 0.00 52.55 54.28 1qfx s ASP 375 Cb 0.00 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.40 1qfx s ASP 375 CO -0.06 -0.78 1.43 -0.70 0.21 0.00 0.00 175.17 175.28 1qfx s GLU 376 N -4.98 4.17 0.00 8.23 2.12 -1.26 -4.54 118.70 122.45 1qfx s GLU 376 Ca 0.54 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.34 1qfx s GLU 376 Cb -0.11 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1qfx s GLU 376 CO 0.50 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 1qfx n GLY 377 N 0.55 -1.10 3.65 -1.50 0.00 0.27 -4.91 105.19 102.15 1qfx n GLY 377 Ca 0.01 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1qfx n GLY 377 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfx s THR 378 N -3.00 4.68 0.16 2.61 2.01 -1.26 -0.83 115.64 120.01 1qfx s THR 378 Ca 0.00 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 61.99 1qfx s THR 378 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1qfx s THR 378 CO 0.00 0.50 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.96 1qfx s TYR 379 N 0.05 1.65 -0.13 4.92 2.02 0.51 -0.89 117.35 125.48 1qfx s TYR 379 Ca 0.05 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1qfx s TYR 379 Cb -0.12 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.60 1qfx s TYR 379 CO 0.01 0.27 -0.13 0.08 -1.57 0.00 0.00 175.55 174.21 1qfx s VAL 380 N -2.32 3.02 -0.04 0.71 1.01 0.67 0.13 120.40 123.57 1qfx s VAL 380 Ca 0.15 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1qfx s VAL 380 Cb -0.04 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1qfx s VAL 380 CO 0.05 0.53 -0.17 -0.60 0.00 0.00 0.00 175.10 174.91 1qfx s ARG 381 N 0.31 1.80 -0.11 2.72 3.52 -0.45 -1.44 118.95 125.30 1qfx s ARG 381 Ca -0.10 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1qfx s ARG 381 Cb -0.16 -1.56 -0.03 0.00 -1.56 0.00 0.00 34.95 31.65 1qfx s ARG 381 CO 0.06 0.23 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.22 1qfx s LEU 382 N 0.07 3.22 -0.12 -0.88 1.43 -1.26 -0.76 118.68 120.38 1qfx s LEU 382 Ca -0.04 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1qfx s LEU 382 Cb -0.12 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1qfx s LEU 382 CO 0.02 0.28 -0.11 -0.69 0.23 0.00 0.00 176.35 176.09 1qfx s VAL 383 N -0.32 1.25 -0.25 -1.59 1.01 -0.11 -0.40 120.40 119.99 1qfx s VAL 383 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1qfx s VAL 383 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1qfx s VAL 383 CO 0.02 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.27 1qfx s LEU 384 N 1.48 3.25 -1.34 3.92 2.96 0.11 -1.03 118.68 128.02 1qfx s LEU 384 Ca 0.02 -0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 53.09 1qfx s LEU 384 Cb -0.13 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1qfx s LEU 384 CO -0.07 -0.12 0.51 0.59 -1.32 0.00 0.00 176.35 175.94 1qfx n ASN 385 N 4.72 -1.52 0.00 3.68 3.02 -0.74 -1.58 115.26 122.84 1qfx n ASN 385 Ca -0.16 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1qfx n ASN 385 Cb 0.48 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 1qfx n ASN 385 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qfx n GLU 386 N -4.37 -0.47 -5.22 3.52 -0.58 -1.26 -0.70 120.64 111.55 1qfx n GLU 386 Ca -0.26 0.12 -0.32 0.00 -0.42 0.00 0.00 57.16 56.28 1qfx n GLU 386 Cb 0.66 -3.57 -0.17 0.00 -0.57 0.00 0.00 31.44 27.79 1qfx n GLU 386 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qfx s ALA 387 N -2.09 2.17 0.15 0.62 0.00 -0.61 -4.91 121.76 117.10 1qfx s ALA 387 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1qfx s ALA 387 Cb 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 23.12 22.22 1qfx s ALA 387 CO 0.00 0.30 1.61 0.08 0.00 0.00 0.00 175.76 177.75 1qfx s VAL 388 N 0.29 2.62 -0.40 0.00 1.01 -1.26 -0.71 120.40 121.95 1qfx s VAL 388 Ca -0.17 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1qfx s VAL 388 Cb -0.18 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.05 1qfx s VAL 388 CO 0.08 0.02 0.18 -0.22 0.00 0.00 0.00 175.10 175.17 1qfx s LEU 389 N 1.43 5.08 0.30 3.92 2.96 0.46 -4.69 118.68 128.15 1qfx s LEU 389 Ca 0.72 -1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 52.42 1qfx s LEU 389 Cb -0.44 -1.82 -0.12 0.00 0.50 0.00 0.00 46.19 44.30 1qfx s LEU 389 CO 0.32 -0.51 1.39 -2.65 -1.32 0.00 0.00 176.35 173.58 1qfx n PRO 390 N 4.61 2.22 -1.69 0.98 -0.02 -1.26 -4.11 135.00 135.73 1qfx n PRO 390 Ca -0.04 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1qfx n PRO 390 Cb 0.42 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1qfx n PRO 390 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qfx n PHE 391 N 1.13 3.31 0.00 6.00 7.35 -1.26 -4.91 117.46 129.08 1qfx n PHE 391 Ca 0.07 -2.99 0.00 0.00 -0.76 0.00 0.00 57.45 53.77 1qfx n PHE 391 Cb 0.35 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.67 1qfx n PHE 391 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1qfx n ASN 392 N 5.51 0.00 -0.29 -2.13 3.02 -1.26 -1.26 115.26 118.85 1qfx n ASN 392 Ca 0.56 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 55.26 1qfx n ASN 392 Cb 0.36 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.18 1qfx n ASN 392 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1qfx n ASP 393 N 6.93 0.94 -4.39 6.41 5.68 -1.26 -4.55 116.55 126.31 1qfx n ASP 393 Ca 0.00 -1.24 -0.45 0.00 -0.50 0.00 0.00 54.79 52.60 1qfx n ASP 393 Cb 0.00 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1qfx n ASP 393 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qfx n THR 395 N 4.08 1.27 0.35 0.00 -2.24 -1.25 -3.97 114.28 112.52 1qfx n THR 395 Ca 0.25 -2.66 0.12 0.00 -2.27 0.00 0.00 64.05 59.49 1qfx n THR 395 Cb 0.44 0.55 0.21 0.00 -2.10 0.00 0.00 70.33 69.43 1qfx n THR 395 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qfx h SER 396 N 1.85 0.00 -2.88 3.42 4.64 -1.79 -3.40 113.55 115.39 1qfx h SER 396 Ca -0.05 -0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.79 1qfx h SER 396 Cb 1.46 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.68 1qfx h SER 396 CO 0.24 0.01 0.26 -0.83 -0.87 0.00 0.00 176.83 175.64 1qfx s GLY 397 N -4.01 1.78 0.48 -0.77 0.00 -0.37 -4.73 107.32 99.70 1qfx s GLY 397 Ca 0.07 -1.59 -0.23 0.00 0.00 0.00 0.00 44.72 42.97 1qfx s GLY 397 CO 0.67 -0.88 1.13 -1.05 0.00 0.00 0.00 173.10 172.97 1qfx n PRO 398 N -3.32 1.48 -2.69 2.90 -0.02 -1.26 -2.25 135.00 129.84 1qfx n PRO 398 Ca 0.16 0.54 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 1qfx n PRO 398 Cb 0.60 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1qfx n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qfx n GLY 399 N 1.03 -0.50 2.82 -1.23 0.00 -1.26 -1.76 105.19 104.28 1qfx n GLY 399 Ca 0.10 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1qfx n GLY 399 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qfx n TYR 400 N -3.98 -1.66 -2.18 1.61 4.01 -0.95 -4.99 117.16 109.01 1qfx n TYR 400 Ca -0.16 0.36 -0.27 0.00 -0.16 0.00 0.00 57.90 57.67 1qfx n TYR 400 Cb 0.63 -4.32 0.14 0.00 -0.31 0.00 0.00 39.34 35.49 1qfx n TYR 400 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1qfx s SER 401 N -2.52 3.79 -0.14 7.72 1.04 -0.72 -4.52 113.70 118.34 1qfx s SER 401 Ca 0.21 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.75 1qfx s SER 401 Cb -0.09 -0.35 -0.00 0.00 0.10 0.00 0.00 66.02 65.67 1qfx s SER 401 CO 0.26 -2.27 -0.16 0.00 0.98 0.00 0.00 173.24 172.05 1qfx n PRO 403 N 3.92 2.01 -0.34 0.00 -0.02 -1.26 -0.24 135.00 139.08 1qfx n PRO 403 Ca -0.19 0.72 0.18 0.00 -2.02 0.00 0.00 63.50 62.19 1qfx n PRO 403 Cb 0.52 -2.40 0.39 0.00 -0.02 0.00 0.00 33.50 31.99 1qfx n PRO 403 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qfx h LEU 404 N 4.62 0.61 -0.66 2.45 5.85 -1.33 -0.05 115.31 126.81 1qfx h LEU 404 Ca -0.45 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1qfx h LEU 404 Cb 1.27 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1qfx h LEU 404 CO 0.79 0.06 0.36 0.00 -0.34 0.00 0.00 178.44 179.30 1qfx h ALA 405 N 1.75 0.84 -0.24 1.25 0.00 -1.88 0.72 119.26 121.71 1qfx h ALA 405 Ca 0.65 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 1qfx h ALA 405 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1qfx h ALA 405 CO -0.50 0.36 -0.12 -0.91 0.00 0.00 0.00 179.25 178.08 1qfx h ASN 406 N 0.90 0.52 -0.73 0.00 4.21 -1.42 -1.66 115.58 117.39 1qfx h ASN 406 Ca 0.23 -0.42 0.08 0.00 1.21 0.00 0.00 56.30 57.40 1qfx h ASN 406 Cb 0.05 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.04 1qfx h ASN 406 CO -0.04 0.82 0.40 0.22 -1.29 0.00 0.00 177.43 177.54 1qfx h TYR 407 N 0.22 0.73 -0.19 1.19 3.20 -0.95 0.88 116.97 122.04 1qfx h TYR 407 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1qfx h TYR 407 Cb 0.63 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1qfx h TYR 407 CO 0.06 0.32 0.07 1.15 -1.64 0.00 0.00 178.16 178.12 1qfx h THR 408 N 0.71 1.17 -0.78 1.81 2.02 -0.69 -1.68 112.91 115.47 1qfx h THR 408 Ca 0.34 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1qfx h THR 408 Cb 0.28 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1qfx h THR 408 CO -0.22 0.17 0.35 0.28 0.37 0.00 0.00 175.52 176.46 1qfx h SER 409 N 0.15 1.05 0.31 4.18 0.02 -0.60 -0.27 113.55 118.39 1qfx h SER 409 Ca 0.06 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1qfx h SER 409 Cb 0.19 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1qfx h SER 409 CO -0.00 0.91 -0.15 0.40 -1.14 0.00 0.00 176.83 176.85 1qfx h ILE 410 N 1.12 0.71 -0.44 3.27 2.04 -0.67 0.69 117.51 124.24 1qfx h ILE 410 Ca 0.26 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1qfx h ILE 410 Cb 0.17 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1qfx h ILE 410 CO -0.03 0.03 0.24 -0.07 0.00 0.00 0.00 178.15 178.32 1qfx h LEU 411 N -0.49 0.55 -0.81 1.44 4.07 -1.22 0.28 115.31 119.12 1qfx h LEU 411 Ca -0.04 -0.09 0.06 0.00 0.08 0.00 0.00 57.88 57.89 1qfx h LEU 411 Cb 0.37 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1qfx h LEU 411 CO 0.07 0.48 0.49 0.78 -1.08 0.00 0.00 178.44 179.18 1qfx h ASN 412 N 0.57 0.76 0.51 -0.43 2.35 -0.95 0.39 115.58 118.77 1qfx h ASN 412 Ca 0.15 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.73 1qfx h ASN 412 Cb 0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1qfx h ASN 412 CO -0.02 0.49 -0.83 0.50 -1.65 0.00 0.00 177.43 175.91 1qfx h LYS 413 N 0.89 0.24 0.00 0.81 3.64 -0.53 -3.39 116.57 118.22 1qfx h LYS 413 Ca 0.35 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1qfx h LYS 413 Cb 0.18 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1qfx h LYS 413 CO -0.18 0.94 -1.73 0.09 -2.27 0.00 0.00 179.45 176.30 1qfx n ASN 414 N -3.71 1.58 -4.72 4.20 3.02 0.06 -4.99 115.26 110.70 1qfx n ASN 414 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 1qfx n ASN 414 Cb 0.78 1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 41.44 1qfx n ASN 414 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qfx s LEU 415 N -4.22 4.37 0.82 3.41 1.43 0.09 -4.99 118.68 119.59 1qfx s LEU 415 Ca -0.06 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 1qfx s LEU 415 Cb 0.09 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.80 1qfx s LEU 415 CO 0.61 -0.79 1.11 -2.84 0.23 0.00 0.00 176.35 174.67 1qfx s PRO 416 N 1.08 1.86 -0.13 1.29 0.02 -1.26 -5.00 135.00 132.86 1qfx s PRO 416 Ca 0.69 0.55 -0.22 0.00 0.02 0.00 0.00 61.00 62.04 1qfx s PRO 416 Cb -0.42 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 1qfx s PRO 416 CO 0.31 -1.75 0.67 0.34 -0.33 0.00 0.00 177.00 176.24 1qfx s ASP 417 N -3.94 6.84 -0.00 2.53 2.15 -1.26 -4.72 116.67 118.27 1qfx s ASP 417 Ca 0.61 1.02 -0.19 0.00 0.43 0.00 0.00 52.55 54.42 1qfx s ASP 417 Cb -0.14 -2.38 -0.10 0.00 -0.30 0.00 0.00 42.92 39.99 1qfx s ASP 417 CO 0.54 -0.19 0.88 0.22 -0.17 0.00 0.00 175.17 176.44 1qfx h TYR 418 N 7.08 -0.63 -0.79 -5.34 3.20 -1.95 -2.67 116.97 115.87 1qfx h TYR 418 Ca -0.36 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.58 1qfx h TYR 418 Cb 1.17 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.58 1qfx h TYR 418 CO 0.68 -0.39 0.45 1.79 -1.64 0.00 0.00 178.16 179.04 1qfx h THR 419 N -1.03 0.93 0.74 1.81 1.35 -1.91 0.23 112.91 115.03 1qfx h THR 419 Ca -0.07 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.49 1qfx h THR 419 Cb 0.52 0.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1qfx h THR 419 CO 0.11 0.14 -0.36 0.74 -0.25 0.00 0.00 175.52 175.91 1qfx h THR 420 N 0.78 0.00 -0.88 6.82 2.02 -1.92 -0.48 112.91 119.26 1qfx h THR 420 Ca 0.37 -0.14 0.12 0.00 0.77 0.00 0.00 66.41 67.54 1qfx h THR 420 Cb 0.30 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.62 1qfx h THR 420 CO -0.23 0.00 0.50 0.74 0.37 0.00 0.00 175.52 176.91 1qfx h THR 421 N -1.13 0.84 -0.44 3.16 2.02 -1.28 -2.31 112.91 113.76 1qfx h THR 421 Ca -0.10 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1qfx h THR 421 Cb 0.76 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1qfx h THR 421 CO 0.17 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.20 1qfx n ASN 423 N 0.85 -0.72 -4.69 0.00 5.15 -0.47 -3.74 115.26 111.64 1qfx n ASN 423 Ca 0.16 -0.95 -0.42 0.00 -0.60 0.00 0.00 54.58 52.77 1qfx n ASN 423 Cb 0.40 -3.35 -0.03 0.00 -0.53 0.00 0.00 39.78 36.27 1qfx n ASN 423 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1qfx s VAL 424 N -3.85 4.82 0.17 3.44 1.01 -0.31 -4.94 120.40 120.74 1qfx s VAL 424 Ca 0.04 2.04 -0.33 0.00 0.00 0.00 0.00 61.98 63.72 1qfx s VAL 424 Cb -0.02 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.90 1qfx s VAL 424 CO 0.87 0.06 1.25 -0.24 0.00 0.00 0.00 175.10 177.04 1qfx n SER 425 N 4.64 1.71 0.21 3.32 2.88 -1.26 -4.83 113.62 120.30 1qfx n SER 425 Ca 0.08 1.14 0.15 0.00 -1.33 0.00 0.00 58.87 58.90 1qfx n SER 425 Cb 0.49 -1.26 0.75 0.00 -0.75 0.00 0.00 64.21 63.45 1qfx n SER 425 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qfx h ALA 426 N 3.83 1.00 -0.01 -1.46 0.00 -1.99 -1.16 119.26 119.46 1qfx h ALA 426 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1qfx h ALA 426 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1qfx h ALA 426 CO 0.73 0.00 -0.02 -1.13 0.00 0.00 0.00 179.25 178.83 1qfx n SER 427 N -2.52 0.93 -4.94 0.00 3.41 -1.26 -4.87 113.62 104.37 1qfx n SER 427 Ca -0.01 -1.25 -0.24 0.00 -0.26 0.00 0.00 58.87 57.10 1qfx n SER 427 Cb 0.08 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1qfx n SER 427 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1qfx s TYR 428 N -2.05 3.45 0.12 7.33 2.02 -0.44 -5.03 117.35 122.75 1qfx s TYR 428 Ca 0.40 0.07 -0.34 0.00 -0.37 0.00 0.00 57.07 56.82 1qfx s TYR 428 Cb 0.21 -1.63 -0.14 0.00 -0.40 0.00 0.00 41.96 40.01 1qfx s TYR 428 CO 0.36 0.49 1.58 -2.30 -1.57 0.00 0.00 175.55 174.12 1qfx n PRO 429 N -0.81 2.04 0.00 -1.71 -0.02 -1.26 -4.86 135.00 128.37 1qfx n PRO 429 Ca -0.08 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1qfx n PRO 429 Cb 0.55 -2.50 0.32 0.00 -0.02 0.00 0.00 33.50 31.85 1qfx n PRO 429 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qfx n GLN 430 N 3.66 0.86 -3.72 -0.52 1.13 -1.26 -1.00 117.38 116.53 1qfx n GLN 430 Ca 0.18 -0.54 -0.10 0.00 -1.94 0.00 0.00 57.00 54.59 1qfx n GLN 430 Cb 0.28 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 1qfx n GLN 430 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1qfx s TYR 431 N -2.51 -0.10 0.11 1.08 -0.85 -1.26 -4.74 117.35 109.07 1qfx s TYR 431 Ca 0.23 -0.18 -0.30 0.00 -0.52 0.00 0.00 57.07 56.30 1qfx s TYR 431 Cb 0.19 0.14 -0.06 0.00 0.38 0.00 0.00 41.96 42.62 1qfx s TYR 431 CO 0.53 -0.61 1.00 -1.17 -1.52 0.00 0.00 175.55 173.78 1qfx s LEU 432 N -2.60 4.48 0.00 -3.49 0.20 -1.21 -3.61 118.68 112.45 1qfx s LEU 432 Ca 0.01 1.84 0.00 0.00 0.69 0.00 0.00 54.13 56.67 1qfx s LEU 432 Cb 0.02 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1qfx s LEU 432 CO -0.09 -0.13 0.00 -1.20 -0.29 0.00 0.00 176.35 174.64 1qfx n SER 433 N 2.89 4.08 -0.08 3.68 7.64 -1.26 -4.85 113.62 125.72 1qfx n SER 433 Ca 0.03 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.17 1qfx n SER 433 Cb 0.49 0.62 0.72 0.00 -1.01 0.00 0.00 64.21 65.02 1qfx n SER 433 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1qfx h PHE 434 N 0.00 0.00 0.00 1.43 -5.15 -1.92 0.33 116.94 111.63 1qfx h PHE 434 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1qfx h PHE 434 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.57 1qfx h PHE 434 CO 0.00 0.00 0.00 -1.49 -2.00 0.00 0.00 178.31 174.82 1qfx h TRP 435 N 0.00 0.00 0.00 6.09 6.55 -2.02 -3.09 115.95 123.48 1qfx h TRP 435 Ca 0.35 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.19 1qfx h TRP 435 Cb 1.53 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.83 1qfx h TRP 435 CO 0.00 0.00 -1.18 0.91 -1.05 0.00 0.00 178.44 177.12 1qfx n TRP 436 N -3.07 0.00 -3.78 0.49 8.01 0.88 -4.85 117.44 115.11 1qfx n TRP 436 Ca 0.00 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.90 1qfx n TRP 436 Cb 0.29 -0.16 -0.14 0.00 -2.01 0.00 0.00 31.31 29.30 1qfx n TRP 436 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.69 175.88 1qfx s ASN 437 N -2.74 3.89 0.24 -0.99 -0.87 0.38 -5.09 114.94 109.76 1qfx s ASN 437 Ca -0.02 -2.61 0.01 0.00 -1.57 0.00 0.00 52.86 48.67 1qfx s ASN 437 Cb 0.06 -1.19 -0.04 0.00 -0.02 0.00 0.00 41.25 40.06 1qfx s ASN 437 CO 0.36 -0.28 0.15 -0.72 -2.57 0.00 0.00 177.10 174.05 1qfx s TYR 438 N 0.34 1.35 0.26 2.20 -0.85 -1.25 -4.35 117.35 115.04 1qfx s TYR 438 Ca 0.16 -1.40 0.07 0.00 -0.52 0.00 0.00 57.07 55.38 1qfx s TYR 438 Cb -0.24 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.41 1qfx s TYR 438 CO -0.02 -0.63 0.25 -0.80 -1.52 0.00 0.00 175.55 172.84 1qfx s ASN 439 N -3.24 5.74 -0.05 -0.18 0.01 -1.26 -5.03 114.94 110.93 1qfx s ASN 439 Ca 0.39 -0.18 0.09 0.00 -0.71 0.00 0.00 52.86 52.45 1qfx s ASN 439 Cb 0.06 -1.49 0.21 0.00 0.41 0.00 0.00 41.25 40.43 1qfx s ASN 439 CO 0.15 -0.08 1.15 0.35 -1.51 0.00 0.00 177.10 177.17 1qfx n THR 440 N -1.27 1.37 -2.02 1.60 -2.24 -1.26 -4.79 114.28 105.67 1qfx n THR 440 Ca -0.08 -1.40 -0.32 0.00 -2.27 0.00 0.00 64.05 59.99 1qfx n THR 440 Cb 0.58 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 1qfx n THR 440 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qfx s THR 441 N -1.66 4.11 -0.49 4.28 -4.23 -1.26 -4.77 115.64 111.63 1qfx s THR 441 Ca 0.18 0.91 0.13 0.00 -1.18 0.00 0.00 61.69 61.72 1qfx s THR 441 Cb 0.14 -3.51 0.36 0.00 1.34 0.00 0.00 72.50 70.83 1qfx s THR 441 CO 0.06 -0.68 1.29 0.35 -0.54 0.00 0.00 174.62 175.09 1qfx n THR 442 N -2.22 1.56 0.18 3.99 -2.24 -1.26 -4.18 114.28 110.11 1qfx n THR 442 Ca 0.08 -1.43 0.04 0.00 -2.27 0.00 0.00 64.05 60.47 1qfx n THR 442 Cb 0.53 0.15 0.47 0.00 -2.10 0.00 0.00 70.33 69.38 1qfx n THR 442 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qfx h GLU 443 N 1.59 0.12 -0.00 -0.78 3.07 -1.93 -2.13 114.58 114.52 1qfx h GLU 443 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1qfx h GLU 443 Cb 1.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1qfx h GLU 443 CO 0.09 0.25 -0.07 1.28 -1.40 0.00 0.00 179.01 179.15 1qfx n LEU 444 N -4.33 0.38 -0.34 1.33 4.77 -1.26 -4.20 117.00 113.35 1qfx n LEU 444 Ca -0.02 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1qfx n LEU 444 Cb 0.23 -0.17 0.16 0.00 -2.33 0.00 0.00 43.42 41.30 1qfx n LEU 444 CO 0.37 0.07 1.28 0.78 -1.33 0.00 0.00 177.39 178.56 1qfx h ASN 445 N 0.48 1.06 -3.95 -1.43 4.21 -1.68 -3.43 115.58 110.85 1qfx h ASN 445 Ca 0.00 -0.02 -0.69 0.00 1.21 0.00 0.00 56.30 56.80 1qfx h ASN 445 Cb 0.31 -0.26 -0.22 0.00 -1.12 0.00 0.00 38.32 37.03 1qfx h ASN 445 CO 0.00 0.76 -0.76 -0.31 -1.29 0.00 0.00 177.43 175.82 1qfx s TYR 446 N -6.04 2.71 0.29 1.19 1.51 -1.26 -4.82 117.35 110.94 1qfx s TYR 446 Ca -0.12 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 1qfx s TYR 446 Cb 0.18 -1.60 -0.10 0.00 -0.11 0.00 0.00 41.96 40.33 1qfx s TYR 446 CO 0.81 0.23 1.34 0.50 -1.11 0.00 0.00 175.55 177.32 1qfx s ARG 447 N -0.96 4.34 0.00 -0.62 3.52 -1.26 -4.94 118.95 119.03 1qfx s ARG 447 Ca 0.13 2.22 0.01 0.00 -0.13 0.00 0.00 55.73 57.96 1qfx s ARG 447 Cb -0.11 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 1qfx s ARG 447 CO 0.02 -0.26 0.75 -1.13 -0.81 0.00 0.00 175.30 173.87 1qfx n SER 448 N 1.44 1.53 -3.97 -2.12 3.41 -1.26 -5.05 113.62 107.59 1qfx n SER 448 Ca 0.03 -1.45 -0.08 0.00 -0.26 0.00 0.00 58.87 57.10 1qfx n SER 448 Cb 0.41 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 1qfx n SER 448 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qfx s SER 449 N -0.48 0.28 1.00 4.04 1.04 -1.26 -5.15 113.70 113.17 1qfx s SER 449 Ca 0.02 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.52 1qfx s SER 449 Cb 0.01 0.28 0.20 0.00 0.10 0.00 0.00 66.02 66.61 1qfx s SER 449 CO 0.02 -0.68 1.11 -2.84 0.98 0.00 0.00 173.24 171.83 1qfx s PRO 450 N -3.90 0.32 -0.16 4.02 0.02 -1.26 -4.90 135.00 129.15 1qfx s PRO 450 Ca 0.07 1.34 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 1qfx s PRO 450 Cb 0.06 -1.66 -0.01 0.00 0.02 0.00 0.00 34.50 32.91 1qfx s PRO 450 CO -0.10 -3.04 1.18 0.42 -0.33 0.00 0.00 177.00 175.13 1qfx s ILE 451 N -2.57 4.41 0.82 2.83 -1.09 -1.26 -4.99 121.20 119.35 1qfx s ILE 451 Ca 0.67 1.71 -0.13 0.00 -2.23 0.00 0.00 60.65 60.67 1qfx s ILE 451 Cb -0.24 -4.10 0.09 0.00 -1.58 0.00 0.00 42.46 36.63 1qfx s ILE 451 CO 0.60 -0.12 1.19 0.00 -1.23 0.00 0.00 174.94 175.39 1qfx s ALA 452 N 3.12 1.80 -0.01 9.38 0.00 -1.26 -4.88 121.76 129.91 1qfx s ALA 452 Ca 0.52 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1qfx s ALA 452 Cb -0.20 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 1qfx s ALA 452 CO 0.14 -2.34 1.89 0.00 0.00 0.00 0.00 175.76 175.45 1qfx n GLN 454 N 7.50 -2.59 -1.64 0.00 6.02 0.91 -4.81 117.38 122.78 1qfx n GLN 454 Ca 0.20 0.66 -0.58 0.00 -0.01 0.00 0.00 57.00 57.27 1qfx n GLN 454 Cb 0.42 -5.31 -0.07 0.00 1.02 0.00 0.00 30.24 26.29 1qfx n GLN 454 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1qfx n GLU 455 N -3.09 0.73 0.00 -1.09 2.13 -0.62 -4.85 120.64 113.85 1qfx n GLU 455 Ca -0.14 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1qfx n GLU 455 Cb 0.61 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1qfx n GLU 455 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qfx n GLY 456 N 3.16 1.38 3.56 8.31 0.00 -1.26 -4.63 105.19 115.71 1qfx n GLY 456 Ca 0.24 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 1qfx n GLY 456 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qfx n ASP 457 N 0.00 1.02 -3.48 1.61 9.92 -1.26 -0.75 116.55 123.61 1qfx n ASP 457 Ca 0.00 1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 55.30 1qfx n ASP 457 Cb 0.00 -1.20 -0.03 0.00 -0.64 0.00 0.00 41.12 39.26 1qfx n ASP 457 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qfx s ALA 458 N -0.47 -1.74 -0.06 2.24 0.00 -0.83 -4.71 121.76 116.19 1qfx s ALA 458 Ca 0.69 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.62 1qfx s ALA 458 Cb -0.84 0.47 0.13 0.00 0.00 0.00 0.00 23.12 22.88 1qfx s ALA 458 CO 0.55 -0.66 1.01 -1.33 0.00 0.00 0.00 175.76 175.33 1qfx n MET 459 N -0.11 1.24 0.00 0.00 2.81 -1.26 -3.27 117.12 116.53 1qfx n MET 459 Ca -0.13 -1.76 0.00 0.00 -1.81 0.00 0.00 57.70 54.00 1qfx n MET 459 Cb 0.62 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 1qfx n MET 459 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01