#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjx h PRO 2 N 0.00 0.00 0.04 3.52 0.13 -2.04 0.12 132.00 133.76 1qjx h PRO 2 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1qjx h PRO 2 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1qjx h PRO 2 CO 0.00 0.00 -0.54 0.28 -0.23 0.00 0.00 178.00 177.51 1qjx h VAL 3 N 0.00 1.50 -0.84 1.56 2.07 -2.05 0.06 116.25 118.55 1qjx h VAL 3 Ca 0.23 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 1qjx h VAL 3 Cb 1.23 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.80 1qjx h VAL 3 CO -0.00 0.62 0.48 -0.08 0.02 0.00 0.00 177.57 178.60 1qjx h GLU 4 N -0.32 1.16 -0.48 1.57 4.81 -1.32 0.52 114.58 120.52 1qjx h GLU 4 Ca -0.08 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1qjx h GLU 4 Cb 1.31 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1qjx h GLU 4 CO 0.10 0.83 -0.06 0.00 -0.73 0.00 0.00 179.01 179.16 1qjx h ARG 5 N 1.17 0.83 -0.01 1.92 3.08 -0.93 -1.91 114.38 118.54 1qjx h ARG 5 Ca 0.30 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1qjx h ARG 5 Cb -0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1qjx h ARG 5 CO -0.05 0.87 0.00 -0.92 -1.07 0.00 0.00 179.97 178.80 1qjx h TYR 6 N 0.76 0.01 -0.97 3.04 3.20 0.57 -1.14 116.97 122.44 1qjx h TYR 6 Ca 0.14 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 1qjx h TYR 6 Cb 0.54 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 1qjx h TYR 6 CO 0.03 0.02 0.62 0.28 -1.64 0.00 0.00 178.16 177.46 1qjx h VAL 7 N -0.00 1.01 -0.33 1.81 2.07 -0.63 0.01 116.25 120.19 1qjx h VAL 7 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1qjx h VAL 7 Cb 0.01 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.62 1qjx h VAL 7 CO -0.00 0.19 0.08 0.44 0.02 0.00 0.00 177.57 178.31 1qjx h ASP 8 N 1.06 0.43 -0.16 0.57 3.32 -0.78 -0.23 116.42 120.62 1qjx h ASP 8 Ca 0.45 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1qjx h ASP 8 Cb 0.29 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1qjx h ASP 8 CO -0.21 0.43 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.31 1qjx h GLU 9 N 0.46 0.36 -0.65 3.56 5.08 0.21 0.56 114.58 124.16 1qjx h GLU 9 Ca 0.11 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1qjx h GLU 9 Cb 0.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1qjx h GLU 9 CO -0.00 0.69 0.21 0.28 -1.00 0.00 0.00 179.01 179.19 1qjx h VAL 10 N 0.02 1.24 -0.00 3.13 2.07 -0.86 -2.61 116.25 119.23 1qjx h VAL 10 Ca 0.03 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1qjx h VAL 10 Cb 0.59 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1qjx h VAL 10 CO 0.03 0.31 -0.49 0.18 0.02 0.00 0.00 177.57 177.62 1qjx n LEU 11 N -4.28 0.54 -3.47 2.57 4.77 -0.13 -4.97 117.00 112.03 1qjx n LEU 11 Ca 0.05 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.83 1qjx n LEU 11 Cb 0.20 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1qjx n LEU 11 CO 0.40 0.13 0.11 0.59 -1.33 0.00 0.00 177.39 177.29 1qjx n ASN 12 N -1.44 -2.42 -2.28 -1.43 5.03 0.17 -4.94 115.26 107.95 1qjx n ASN 12 Ca 0.06 -0.63 -0.19 0.00 0.87 0.00 0.00 54.58 54.70 1qjx n ASN 12 Cb 0.34 -5.05 0.02 0.00 -1.02 0.00 0.00 39.78 34.07 1qjx n ASN 12 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1qjx n GLU 13 N -4.23 3.09 0.10 3.52 1.02 0.45 -4.71 120.64 119.87 1qjx n GLU 13 Ca -0.26 -4.03 -0.17 0.00 -0.02 0.00 0.00 57.16 52.68 1qjx n GLU 13 Cb 0.66 -2.09 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1qjx n GLU 13 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1qjx h VAL 14 N 3.00 1.41 -3.70 2.62 2.07 -1.93 -3.42 116.25 116.31 1qjx h VAL 14 Ca 0.23 -2.73 -0.66 0.00 0.82 0.00 0.00 66.70 64.37 1qjx h VAL 14 Cb 1.40 2.75 -0.39 0.00 -1.52 0.00 0.00 31.29 33.52 1qjx h VAL 14 CO 0.63 0.81 -0.74 -0.76 0.02 0.00 0.00 177.57 177.53 1qjx s LEU 15 N -7.50 4.28 0.24 2.57 1.43 -1.26 -5.04 118.68 113.40 1qjx s LEU 15 Ca -0.06 -1.94 -0.06 0.00 -1.03 0.00 0.00 54.13 51.04 1qjx s LEU 15 Cb 0.07 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 1qjx s LEU 15 CO 0.89 -0.34 0.51 0.68 0.23 0.00 0.00 176.35 178.33 1qjx s VAL 16 N 1.00 5.03 0.07 -1.59 -7.23 -1.26 0.41 120.40 116.83 1qjx s VAL 16 Ca 0.06 0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.31 1qjx s VAL 16 Cb -0.19 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 1qjx s VAL 16 CO -0.08 -0.18 0.34 0.68 -0.31 0.00 0.00 175.10 175.55 1qjx s VAL 17 N -1.93 5.19 0.85 1.32 -7.23 -0.82 -4.87 120.40 112.91 1qjx s VAL 17 Ca 0.44 0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.72 1qjx s VAL 17 Cb -0.11 -3.61 0.11 0.00 0.56 0.00 0.00 36.38 33.32 1qjx s VAL 17 CO 0.27 0.24 1.15 -2.16 -0.31 0.00 0.00 175.10 174.28 1qjx s PRO 18 N -2.07 1.50 0.82 4.82 0.04 -1.26 -4.71 135.00 134.13 1qjx s PRO 18 Ca 0.33 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 1qjx s PRO 18 Cb -0.13 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1qjx s PRO 18 CO 0.19 -2.27 1.18 -0.80 0.04 0.00 0.00 177.00 175.35 1qjx s ASN 19 N -2.71 4.38 -0.13 6.66 0.01 -1.26 -4.61 114.94 117.28 1qjx s ASN 19 Ca 0.67 0.71 -0.03 0.00 -0.71 0.00 0.00 52.86 53.50 1qjx s ASN 19 Cb -0.23 -1.16 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 1qjx s ASN 19 CO 0.55 -1.97 -0.03 -0.63 -1.51 0.00 0.00 177.10 173.51 1qjx s ILE 20 N -3.59 3.97 0.20 0.60 -1.09 -0.80 -4.97 121.20 115.51 1qjx s ILE 20 Ca 0.63 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 1qjx s ILE 20 Cb -0.10 -2.71 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1qjx s ILE 20 CO 0.49 0.53 0.28 0.20 -1.23 0.00 0.00 174.94 175.21 1qjx s ASN 21 N -0.02 6.12 0.39 3.58 -0.87 -1.26 -0.64 114.94 122.24 1qjx s ASN 21 Ca 0.01 0.04 -0.26 0.00 -1.57 0.00 0.00 52.86 51.08 1qjx s ASN 21 Cb -0.13 -1.76 -0.09 0.00 -0.02 0.00 0.00 41.25 39.25 1qjx s ASN 21 CO 0.02 -0.01 1.24 -1.58 -2.57 0.00 0.00 177.10 174.21 1qjx s GLN 22 N -3.59 4.07 0.30 -0.60 0.74 -1.24 -4.45 119.66 114.89 1qjx s GLN 22 Ca 0.34 2.02 0.03 0.00 0.05 0.00 0.00 55.36 57.79 1qjx s GLN 22 Cb -0.10 -2.78 -0.06 0.00 1.10 0.00 0.00 33.01 31.18 1qjx s GLN 22 CO 0.28 -0.36 0.07 -1.54 -0.55 0.00 0.00 175.29 173.19 1qjx s SER 23 N -0.88 1.95 0.24 6.67 1.04 -0.80 -4.92 113.70 117.01 1qjx s SER 23 Ca 0.56 -1.38 0.01 0.00 0.48 0.00 0.00 55.95 55.61 1qjx s SER 23 Cb -0.35 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.72 1qjx s SER 23 CO 0.45 -0.65 0.10 -1.00 0.98 0.00 0.00 173.24 173.12 1qjx s HIS 24 N -3.46 1.43 0.55 5.02 0.09 -1.26 -4.20 115.29 113.46 1qjx s HIS 24 Ca 0.37 -1.21 -0.21 0.00 -0.00 0.00 0.00 55.06 54.00 1qjx s HIS 24 Cb 0.08 -0.81 -0.05 0.00 -0.00 0.00 0.00 32.58 31.81 1qjx s HIS 24 CO 0.15 -0.40 1.28 -0.35 -0.00 0.00 0.00 174.74 175.42 1qjx n PRO 25 N -0.40 1.52 -4.00 8.40 -0.04 -1.26 -4.87 135.00 134.35 1qjx n PRO 25 Ca -0.00 0.56 -0.09 0.00 -0.04 0.00 0.00 63.50 63.93 1qjx n PRO 25 Cb 0.66 -2.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 1qjx n PRO 25 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qjx s THR 26 N -1.32 0.14 -0.29 0.52 -4.23 -1.26 -5.10 115.64 104.10 1qjx s THR 26 Ca 0.72 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1qjx s THR 26 Cb -0.43 -0.42 0.11 0.00 1.34 0.00 0.00 72.50 73.10 1qjx s THR 26 CO 0.49 -0.56 0.19 -0.89 -0.54 0.00 0.00 174.62 173.31 1qjx s THR 27 N -1.75 -0.19 0.09 3.99 2.01 -1.26 -5.14 115.64 113.40 1qjx s THR 27 Ca -0.13 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 1qjx s THR 27 Cb -0.08 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1qjx s THR 27 CO -0.02 -0.64 0.22 -0.55 -0.69 0.00 0.00 174.62 172.94 1qjx s SER 28 N 2.19 0.06 -0.14 3.53 0.15 -1.26 -5.02 113.70 113.22 1qjx s SER 28 Ca 0.09 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.25 1qjx s SER 28 Cb -0.15 0.36 0.49 0.00 -1.71 0.00 0.00 66.02 65.00 1qjx s SER 28 CO -0.36 -0.73 1.25 -0.46 1.20 0.00 0.00 173.24 174.14 1qjx n ASN 29 N -0.03 3.76 -4.32 5.45 0.23 -1.26 -4.68 115.26 114.42 1qjx n ASN 29 Ca -0.15 -2.53 -0.36 0.00 -0.53 0.00 0.00 54.58 51.00 1qjx n ASN 29 Cb 0.62 -0.60 -0.13 0.00 -2.08 0.00 0.00 39.78 37.59 1qjx n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qjx s ALA 30 N -2.02 2.98 -0.59 -2.53 0.00 -1.26 -5.06 121.76 113.27 1qjx s ALA 30 Ca 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1qjx s ALA 30 Cb 0.24 -2.01 0.15 0.00 0.00 0.00 0.00 23.12 21.51 1qjx s ALA 30 CO 0.10 -0.81 0.37 0.00 0.00 0.00 0.00 175.76 175.42 1qjx s ALA 31 N 1.47 3.49 0.41 0.00 0.00 -1.26 -4.94 121.76 120.92 1qjx s ALA 31 Ca 0.03 -3.30 0.10 0.00 0.00 0.00 0.00 51.96 48.79 1qjx s ALA 31 Cb -0.17 -2.45 0.91 0.00 0.00 0.00 0.00 23.12 21.42 1qjx s ALA 31 CO 0.01 -2.08 1.98 -1.35 0.00 0.00 0.00 175.76 174.32 1qjx h PRO 32 N 6.73 0.53 0.00 0.00 0.11 -1.97 -1.91 132.00 135.49 1qjx h PRO 32 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1qjx h PRO 32 Cb 0.92 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1qjx h PRO 32 CO 0.70 0.35 -0.03 -0.39 -0.21 0.00 0.00 178.00 178.42 1qjx h VAL 33 N 0.55 0.37 -3.07 3.15 -1.51 -1.92 -3.42 116.25 110.40 1qjx h VAL 33 Ca 0.28 -0.18 -0.61 0.00 -1.23 0.00 0.00 66.70 64.97 1qjx h VAL 33 Cb 0.39 1.12 -0.06 0.00 -2.13 0.00 0.00 31.29 30.61 1qjx h VAL 33 CO -0.09 0.03 -0.22 -0.76 -1.23 0.00 0.00 177.57 175.31 1qjx s LEU 34 N -7.09 4.42 0.00 4.19 1.43 -0.72 -5.04 118.68 115.87 1qjx s LEU 34 Ca -0.04 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1qjx s LEU 34 Cb 0.14 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1qjx s LEU 34 CO 0.52 0.26 0.00 -0.67 0.23 0.00 0.00 176.35 176.69 1qjx n ASP 35 N 2.28 0.00 -3.40 2.29 2.03 -1.26 -4.95 116.55 113.53 1qjx n ASP 35 Ca -0.13 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.02 1qjx n ASP 35 Cb 0.52 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.83 1qjx n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qjx s ALA 36 N -1.00 -0.51 -0.07 -1.67 0.00 -1.26 -5.00 121.76 112.25 1qjx s ALA 36 Ca 0.00 -0.13 0.27 0.00 0.00 0.00 0.00 51.96 52.10 1qjx s ALA 36 Cb 0.00 -1.74 1.39 0.00 0.00 0.00 0.00 23.12 22.77 1qjx s ALA 36 CO 0.00 -1.62 1.83 0.00 0.00 0.00 0.00 175.76 175.98 1qjx h ALA 37 N 8.26 1.00 -0.81 0.00 0.00 -2.01 -2.48 119.26 123.23 1qjx h ALA 37 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1qjx h ALA 37 Cb 1.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1qjx h ALA 37 CO 0.32 0.00 0.53 0.93 0.00 0.00 0.00 179.25 181.03 1qjx h GLU 38 N 0.00 0.61 -0.25 0.00 3.07 -1.94 -1.15 114.58 114.92 1qjx h GLU 38 Ca 0.00 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 1qjx h GLU 38 Cb 0.12 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1qjx h GLU 38 CO 0.00 0.41 0.19 1.79 -1.40 0.00 0.00 179.01 180.00 1qjx h THR 39 N 0.63 0.80 0.00 1.13 1.35 -1.89 -3.45 112.91 111.48 1qjx h THR 39 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 1qjx h THR 39 Cb 0.63 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1qjx h THR 39 CO -0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.73 1qjx n GLY 40 N -1.56 0.46 3.91 5.82 0.00 -0.44 -5.07 105.19 108.31 1qjx n GLY 40 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1qjx n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qjx s HIS 41 N -2.15 3.51 -0.06 1.61 3.76 -1.26 -5.09 115.29 115.61 1qjx s HIS 41 Ca 0.00 0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 54.96 1qjx s HIS 41 Cb 0.00 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 1qjx s HIS 41 CO 0.00 0.60 0.65 0.99 -0.85 0.00 0.00 174.74 176.13 1qjx s THR 42 N -1.45 5.04 0.01 1.30 2.01 -1.26 -4.72 115.64 116.57 1qjx s THR 42 Ca 0.32 1.34 -0.30 0.00 0.31 0.00 0.00 61.69 63.36 1qjx s THR 42 Cb -0.13 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 1qjx s THR 42 CO 0.25 0.29 1.90 0.21 -0.69 0.00 0.00 174.62 176.59 1qjx s ASN 43 N 0.58 6.47 0.00 3.53 3.84 -1.26 -4.86 114.94 123.24 1qjx s ASN 43 Ca 0.35 2.55 0.00 0.00 0.21 0.00 0.00 52.86 55.97 1qjx s ASN 43 Cb -0.17 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 1qjx s ASN 43 CO 0.17 -1.05 0.47 0.29 -2.79 0.00 0.00 177.10 174.19 1qjx n LYS 44 N 7.49 0.92 -1.75 0.43 4.76 -1.26 -4.92 118.16 123.82 1qjx n LYS 44 Ca 0.20 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.24 1qjx n LYS 44 Cb 0.42 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1qjx n LYS 44 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1qjx n ILE 45 N 0.03 2.98 -4.53 -0.18 3.06 -1.26 -5.03 119.36 114.43 1qjx n ILE 45 Ca 0.00 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.50 1qjx n ILE 45 Cb 0.22 -1.79 -0.11 0.00 0.54 0.00 0.00 39.64 38.51 1qjx n ILE 45 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1qjx s GLN 46 N -2.51 1.78 0.31 9.51 -1.52 -1.26 -5.04 119.66 120.92 1qjx s GLN 46 Ca 0.63 -1.95 0.08 0.00 -1.95 0.00 0.00 55.36 52.17 1qjx s GLN 46 Cb -0.45 -1.46 0.83 0.00 -0.22 0.00 0.00 33.01 31.72 1qjx s GLN 46 CO 0.56 0.02 1.74 -1.00 -0.25 0.00 0.00 175.29 176.36 1qjx h PRO 47 N 2.02 0.59 -0.02 2.91 0.13 -1.96 -0.10 132.00 135.57 1qjx h PRO 47 Ca -0.42 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qjx h PRO 47 Cb 1.24 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qjx h PRO 47 CO 0.73 0.39 0.06 0.93 -0.23 0.00 0.00 178.00 179.87 1qjx h GLU 48 N 0.61 0.00 0.00 0.86 3.07 -1.89 -1.96 114.58 115.27 1qjx h GLU 48 Ca 0.62 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.38 1qjx h GLU 48 Cb 1.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1qjx h GLU 48 CO -0.46 0.00 -0.56 -0.44 -1.40 0.00 0.00 179.01 176.15 1qjx h ASP 49 N 0.00 0.00 0.00 1.42 3.32 -1.41 -3.38 116.42 116.37 1qjx h ASP 49 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qjx h ASP 49 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1qjx h ASP 49 CO -0.00 0.46 -0.76 0.35 -1.72 0.00 0.00 179.24 177.57 1qjx n THR 50 N -3.17 0.00 -4.12 0.35 -2.24 -0.77 -4.93 114.28 99.40 1qjx n THR 50 Ca 0.01 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1qjx n THR 50 Cb 0.73 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.63 1qjx n THR 50 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1qjx s ILE 51 N -2.12 0.03 -0.56 2.28 -4.36 -1.01 -5.10 121.20 110.36 1qjx s ILE 51 Ca 0.01 -1.79 -0.22 0.00 -0.26 0.00 0.00 60.65 58.39 1qjx s ILE 51 Cb 0.07 -2.27 0.05 0.00 1.25 0.00 0.00 42.46 41.56 1qjx s ILE 51 CO 0.38 -0.13 0.86 -1.61 0.24 0.00 0.00 174.94 174.68 1qjx s GLU 52 N -4.09 3.22 0.44 0.37 2.02 -1.26 -4.56 118.70 114.84 1qjx s GLU 52 Ca 0.30 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.73 1qjx s GLU 52 Cb 0.05 -4.11 -0.00 0.00 0.10 0.00 0.00 34.13 30.17 1qjx s GLU 52 CO 0.08 -1.49 0.65 0.95 0.02 0.00 0.00 175.26 175.47 1qjx s THR 53 N 3.61 4.03 0.48 3.63 -4.23 -1.26 -4.88 115.64 117.02 1qjx s THR 53 Ca 0.24 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1qjx s THR 53 Cb -0.15 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.24 1qjx s THR 53 CO 0.15 -0.32 0.58 0.00 -0.54 0.00 0.00 174.62 174.48 1qjx s ARG 54 N -4.52 2.54 -0.09 3.99 1.70 -1.26 -1.90 118.95 119.41 1qjx s ARG 54 Ca 0.48 -1.52 -0.22 0.00 -0.47 0.00 0.00 55.73 54.00 1qjx s ARG 54 Cb -0.10 -2.56 -0.04 0.00 -0.57 0.00 0.00 34.95 31.68 1qjx s ARG 54 CO 0.37 -0.48 0.64 -0.47 -1.08 0.00 0.00 175.30 174.29 1qjx s TYR 55 N -2.52 3.55 -0.03 5.89 5.04 -1.26 -3.64 117.35 124.37 1qjx s TYR 55 Ca 0.53 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 56.31 1qjx s TYR 55 Cb -0.06 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.52 1qjx s TYR 55 CO 0.32 0.09 -0.05 0.08 -1.34 0.00 0.00 175.55 174.65 1qjx s VAL 56 N 0.83 0.53 -0.40 3.14 1.01 0.18 -4.95 120.40 120.75 1qjx s VAL 56 Ca 0.34 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 1qjx s VAL 56 Cb -0.17 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1qjx s VAL 56 CO 0.16 0.20 0.70 -1.10 0.00 0.00 0.00 175.10 175.06 1qjx s GLN 57 N 0.64 3.53 0.37 2.72 -0.21 -1.26 -1.91 119.66 123.54 1qjx s GLN 57 Ca -0.08 -0.03 -0.25 0.00 0.02 0.00 0.00 55.36 55.01 1qjx s GLN 57 Cb -0.12 -3.87 -0.09 0.00 1.00 0.00 0.00 33.01 29.93 1qjx s GLN 57 CO 0.00 -0.92 1.06 -1.12 -2.12 0.00 0.00 175.29 172.19 1qjx s SER 58 N 1.94 6.88 -0.02 5.90 0.01 -1.26 -4.94 113.70 122.21 1qjx s SER 58 Ca 0.27 2.08 0.03 0.00 1.31 0.00 0.00 55.95 59.64 1qjx s SER 58 Cb -0.13 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1qjx s SER 58 CO 0.18 -0.41 0.89 -1.20 0.41 0.00 0.00 173.24 173.12 1qjx n SER 59 N 0.22 0.44 -4.84 2.44 7.64 -1.26 -4.91 113.62 113.35 1qjx n SER 59 Ca 0.04 -1.89 -0.34 0.00 1.01 0.00 0.00 58.87 57.69 1qjx n SER 59 Cb 0.49 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 1qjx n SER 59 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qjx s GLN 60 N -0.44 4.04 0.12 1.43 1.11 -1.26 -5.00 119.66 119.65 1qjx s GLN 60 Ca 0.04 0.62 0.07 0.00 0.01 0.00 0.00 55.36 56.11 1qjx s GLN 60 Cb 0.04 -2.73 -0.04 0.00 -1.01 0.00 0.00 33.01 29.27 1qjx s GLN 60 CO 0.00 0.33 -0.17 0.95 0.01 0.00 0.00 175.29 176.42 1qjx s THR 61 N -1.69 1.52 -1.92 -0.19 -4.23 -1.26 -1.95 115.64 105.93 1qjx s THR 61 Ca 0.46 -1.66 0.22 0.00 -1.18 0.00 0.00 61.69 59.52 1qjx s THR 61 Cb -0.14 -1.55 0.66 0.00 1.34 0.00 0.00 72.50 72.81 1qjx s THR 61 CO 0.19 -0.27 1.55 0.18 -0.54 0.00 0.00 174.62 175.74 1qjx n LEU 62 N 0.72 4.02 -0.12 4.79 4.77 0.17 -4.59 117.00 126.76 1qjx n LEU 62 Ca -0.17 -2.01 -0.05 0.00 -0.03 0.00 0.00 56.01 53.75 1qjx n LEU 62 Cb 0.56 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1qjx n LEU 62 CO 0.26 0.97 0.76 0.44 -1.33 0.00 0.00 177.39 178.48 1qjx h ASP 63 N 4.29 -0.48 0.29 -1.43 5.19 -1.85 -1.17 116.42 121.26 1qjx h ASP 63 Ca 0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1qjx h ASP 63 Cb 1.03 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1qjx h ASP 63 CO 0.02 -0.17 0.00 -0.08 -3.12 0.00 0.00 179.24 175.89 1qjx h GLU 64 N -0.05 0.00 -0.39 3.56 4.81 -1.92 -1.65 114.58 118.94 1qjx h GLU 64 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1qjx h GLU 64 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1qjx h GLU 64 CO -0.45 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.50 1qjx n MET 65 N -2.73 2.12 -1.77 1.92 2.81 -0.45 -4.35 117.12 114.67 1qjx n MET 65 Ca -0.01 -1.72 -0.33 0.00 -1.81 0.00 0.00 57.70 53.83 1qjx n MET 65 Cb 0.13 -1.42 0.04 0.00 -0.71 0.00 0.00 33.22 31.26 1qjx n MET 65 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1qjx s SER 66 N -1.25 5.17 0.32 7.83 1.04 -0.62 -4.79 113.70 121.40 1qjx s SER 66 Ca 0.34 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.75 1qjx s SER 66 Cb 0.19 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 64.29 1qjx s SER 66 CO 0.26 -1.59 1.95 0.58 0.98 0.00 0.00 173.24 175.42 1qjx h VAL 67 N 0.03 1.19 -0.75 5.02 2.07 -1.92 0.15 116.25 122.04 1qjx h VAL 67 Ca -0.47 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1qjx h VAL 67 Cb 1.24 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1qjx h VAL 67 CO 0.54 0.21 0.36 -0.08 0.02 0.00 0.00 177.57 178.62 1qjx h GLU 68 N 0.88 1.07 -0.05 1.57 4.57 -1.91 -1.85 114.58 118.86 1qjx h GLU 68 Ca 0.23 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 1qjx h GLU 68 Cb 0.01 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1qjx h GLU 68 CO -0.04 0.83 -0.51 1.03 -1.18 0.00 0.00 179.01 179.14 1qjx h SER 69 N 1.07 0.54 -0.58 1.04 0.87 -1.58 0.28 113.55 115.18 1qjx h SER 69 Ca 0.26 -0.70 0.05 0.00 -1.23 0.00 0.00 61.79 60.18 1qjx h SER 69 Cb 0.11 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1qjx h SER 69 CO -0.03 1.15 0.31 0.15 -0.53 0.00 0.00 176.83 177.88 1qjx h PHE 70 N -0.04 0.56 -0.01 2.24 3.57 -0.49 -2.86 116.94 119.91 1qjx h PHE 70 Ca -0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1qjx h PHE 70 Cb 1.18 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1qjx h PHE 70 CO 0.13 0.27 -0.48 1.28 -2.23 0.00 0.00 178.31 177.28 1qjx n LEU 71 N -4.84 1.74 -1.60 0.59 4.77 -0.72 -4.54 117.00 112.39 1qjx n LEU 71 Ca 0.06 -0.63 -0.08 0.00 -0.03 0.00 0.00 56.01 55.33 1qjx n LEU 71 Cb 0.16 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1qjx n LEU 71 CO 0.29 0.33 1.00 0.61 -1.33 0.00 0.00 177.39 178.28 1qjx n GLY 72 N 1.41 3.18 3.11 -0.72 0.00 0.09 -3.05 105.19 109.22 1qjx n GLY 72 Ca 0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1qjx n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjx s ARG 73 N -0.98 2.35 -0.04 1.61 0.52 -1.26 -4.86 118.95 116.29 1qjx s ARG 73 Ca 0.17 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1qjx s ARG 73 Cb 0.13 -1.85 -0.06 0.00 0.52 0.00 0.00 34.95 33.70 1qjx s ARG 73 CO 0.01 0.09 1.63 0.45 0.02 0.00 0.00 175.30 177.50 1qjx s SER 74 N 0.55 6.68 0.14 0.23 0.15 -1.26 -4.61 113.70 115.58 1qjx s SER 74 Ca -0.16 2.25 0.06 0.00 0.70 0.00 0.00 55.95 58.80 1qjx s SER 74 Cb -0.17 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1qjx s SER 74 CO 0.06 -0.91 -0.13 -0.83 1.20 0.00 0.00 173.24 172.63 1qjx s GLY 75 N 3.13 1.14 0.20 9.45 0.00 -0.33 -4.86 107.32 116.05 1qjx s GLY 75 Ca 0.73 -1.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 1qjx s GLY 75 CO 0.29 -1.47 1.21 0.00 0.00 0.00 0.00 173.10 173.13 1qjx n ILE 77 N 2.31 0.00 -3.61 0.00 -5.35 0.03 -4.75 119.36 107.99 1qjx n ILE 77 Ca 0.04 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 1qjx n ILE 77 Cb 0.44 1.12 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 1qjx n ILE 77 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1qjx s HIS 78 N -0.42 -0.39 -0.30 4.28 5.04 -1.22 -4.54 115.29 117.75 1qjx s HIS 78 Ca 0.00 0.82 0.01 0.00 -1.54 0.00 0.00 55.06 54.35 1qjx s HIS 78 Cb 0.00 0.41 0.09 0.00 0.04 0.00 0.00 32.58 33.12 1qjx s HIS 78 CO 0.00 -0.26 0.04 -1.21 -2.34 0.00 0.00 174.74 170.96 1qjx s GLU 79 N -0.44 1.25 -0.10 2.88 2.02 -1.26 -1.00 118.70 122.05 1qjx s GLU 79 Ca 0.01 -1.32 -0.21 0.00 0.02 0.00 0.00 54.97 53.47 1qjx s GLU 79 Cb -0.03 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1qjx s GLU 79 CO -0.03 -0.85 0.59 0.45 0.02 0.00 0.00 175.26 175.44 1qjx s SER 80 N 1.30 6.83 -0.08 -0.19 0.15 0.09 -4.92 113.70 116.88 1qjx s SER 80 Ca 0.05 0.99 0.03 0.00 0.70 0.00 0.00 55.95 57.73 1qjx s SER 80 Cb -0.18 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1qjx s SER 80 CO -0.13 -0.07 -0.18 -0.69 1.20 0.00 0.00 173.24 173.36 1qjx s VAL 81 N 0.77 2.63 -0.33 4.45 1.01 -1.26 -0.21 120.40 127.45 1qjx s VAL 81 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1qjx s VAL 81 Cb -0.16 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.29 1qjx s VAL 81 CO 0.14 0.56 0.11 -0.76 0.00 0.00 0.00 175.10 175.15 1qjx s LEU 82 N -0.11 2.63 -0.41 3.92 1.43 -0.09 -4.94 118.68 121.09 1qjx s LEU 82 Ca -0.03 -1.84 -0.09 0.00 -1.03 0.00 0.00 54.13 51.15 1qjx s LEU 82 Cb -0.14 -0.99 0.08 0.00 0.03 0.00 0.00 46.19 45.17 1qjx s LEU 82 CO 0.04 -0.39 0.24 -0.62 0.23 0.00 0.00 176.35 175.85 1qjx s ASP 83 N 1.36 5.59 -0.46 2.29 -1.08 -1.26 -0.29 116.67 122.81 1qjx s ASP 83 Ca 0.11 -1.51 -0.29 0.00 -0.52 0.00 0.00 52.55 50.34 1qjx s ASP 83 Cb -0.18 -1.97 0.02 0.00 -1.46 0.00 0.00 42.92 39.33 1qjx s ASP 83 CO -0.20 -0.52 1.31 -0.63 0.52 0.00 0.00 175.17 175.66 1qjx s ILE 84 N 1.40 3.99 -0.06 4.11 -1.09 -0.90 -4.84 121.20 123.81 1qjx s ILE 84 Ca 0.03 0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 59.36 1qjx s ILE 84 Cb -0.23 -4.39 -0.02 0.00 -1.58 0.00 0.00 42.46 36.24 1qjx s ILE 84 CO 0.02 -0.92 -0.14 0.52 -1.23 0.00 0.00 174.94 173.18 1qjx n VAL 85 N 6.97 0.79 -0.53 2.92 0.31 -1.26 -4.54 118.33 122.99 1qjx n VAL 85 Ca 0.14 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1qjx n VAL 85 Cb 0.49 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1qjx n VAL 85 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1qjx n ASP 86 N -3.45 0.01 -3.49 4.52 5.68 -1.26 -5.02 116.55 113.55 1qjx n ASP 86 Ca -0.06 -0.54 -0.26 0.00 -0.50 0.00 0.00 54.79 53.43 1qjx n ASP 86 Cb 0.21 0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 40.07 1qjx n ASP 86 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1qjx s ASN 87 N -0.01 2.95 0.17 -1.12 3.84 -1.26 -5.03 114.94 114.48 1qjx s ASN 87 Ca 0.00 -1.37 -0.15 0.00 0.21 0.00 0.00 52.86 51.55 1qjx s ASN 87 Cb 0.00 -0.15 0.11 0.00 -0.55 0.00 0.00 41.25 40.66 1qjx s ASN 87 CO 0.00 -0.40 1.76 0.22 -2.79 0.00 0.00 177.10 175.89 1qjx h TYR 88 N 8.05 0.31 -0.69 0.43 3.20 -1.95 0.69 116.97 127.01 1qjx h TYR 88 Ca -0.13 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.81 1qjx h TYR 88 Cb 1.02 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 1qjx h TYR 88 CO 0.32 0.13 0.46 -0.91 -1.64 0.00 0.00 178.16 176.52 1qjx h ASN 89 N 0.36 0.68 0.51 -2.11 -0.26 -1.99 -0.81 115.58 111.96 1qjx h ASN 89 Ca 0.20 -0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.64 1qjx h ASN 89 Cb 0.16 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1qjx h ASN 89 CO -0.18 0.46 -1.58 0.44 -1.06 0.00 0.00 177.43 175.51 1qjx h ASP 90 N 0.78 0.19 0.05 5.81 3.32 -1.84 -3.38 116.42 121.36 1qjx h ASP 90 Ca 0.29 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qjx h ASP 90 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1qjx h ASP 90 CO -0.09 1.27 -0.14 0.00 -1.72 0.00 0.00 179.24 178.56 1qjx n GLN 91 N -3.29 1.50 -0.28 3.56 6.02 0.19 -4.27 117.38 120.81 1qjx n GLN 91 Ca -0.16 -1.03 0.06 0.00 -0.01 0.00 0.00 57.00 55.86 1qjx n GLN 91 Cb 1.03 -1.48 0.19 0.00 1.02 0.00 0.00 30.24 31.00 1qjx n GLN 91 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1qjx n SER 92 N 0.14 2.52 -3.52 1.08 3.41 -0.33 -4.25 113.62 112.67 1qjx n SER 92 Ca 0.15 -2.13 -0.12 0.00 -0.26 0.00 0.00 58.87 56.50 1qjx n SER 92 Cb 0.42 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1qjx n SER 92 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1qjx s PHE 93 N -1.59 -0.41 0.32 7.33 -0.71 -1.26 -1.27 117.98 120.38 1qjx s PHE 93 Ca 0.27 0.25 -0.12 0.00 -1.04 0.00 0.00 56.93 56.29 1qjx s PHE 93 Cb 0.16 0.41 0.05 0.00 -1.21 0.00 0.00 43.02 42.43 1qjx s PHE 93 CO 0.16 -0.75 0.64 -2.37 -1.34 0.00 0.00 175.22 171.55 1qjx n THR 94 N -0.12 0.00 -3.76 -4.49 5.66 -0.44 -4.98 114.28 106.15 1qjx n THR 94 Ca -0.17 -0.84 -0.12 0.00 -3.05 0.00 0.00 64.05 59.87 1qjx n THR 94 Cb 0.63 0.81 -0.08 0.00 -1.55 0.00 0.00 70.33 70.15 1qjx n THR 94 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1qjx s LYS 95 N -2.10 0.77 -0.02 1.09 -2.85 -1.26 -1.60 119.74 113.78 1qjx s LYS 95 Ca 0.13 -0.42 -0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1qjx s LYS 95 Cb -0.04 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.09 1qjx s LYS 95 CO 0.10 -0.24 0.03 -0.46 0.10 0.00 0.00 175.35 174.88 1qjx s TRP 96 N -2.21 0.01 -0.51 1.78 -0.00 -0.42 -4.97 118.94 112.62 1qjx s TRP 96 Ca -0.07 0.11 -0.27 0.00 -0.00 0.00 0.00 56.10 55.87 1qjx s TRP 96 Cb -0.02 -0.16 0.03 0.00 -0.00 0.00 0.00 33.47 33.32 1qjx s TRP 96 CO -0.01 -0.07 1.08 1.21 -0.00 0.00 0.00 176.95 179.16 1qjx s ASN 97 N 0.77 6.53 0.33 5.86 3.04 -1.26 -1.12 114.94 129.09 1qjx s ASN 97 Ca -0.06 0.22 -0.29 0.00 0.04 0.00 0.00 52.86 52.76 1qjx s ASN 97 Cb -0.09 -2.52 -0.12 0.00 -1.54 0.00 0.00 41.25 36.98 1qjx s ASN 97 CO -0.02 -1.26 1.40 -0.38 -3.04 0.00 0.00 177.10 173.80 1qjx n ILE 98 N 6.65 1.71 -3.58 -5.21 5.41 -0.88 -5.00 119.36 118.45 1qjx n ILE 98 Ca 0.09 -0.43 -0.05 0.00 1.00 0.00 0.00 62.75 63.36 1qjx n ILE 98 Cb 0.49 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.69 1qjx n ILE 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1qjx s ASN 99 N -0.07 -0.17 -0.33 4.38 2.20 -1.26 -4.39 114.94 115.31 1qjx s ASN 99 Ca 0.58 -0.02 0.08 0.00 -0.94 0.00 0.00 52.86 52.56 1qjx s ASN 99 Cb -0.55 0.19 0.54 0.00 -2.00 0.00 0.00 41.25 39.44 1qjx s ASN 99 CO 0.59 -0.31 1.57 0.18 -2.94 0.00 0.00 177.10 176.18 1qjx n LEU 100 N -0.15 4.71 -0.27 3.54 4.77 -1.26 -4.59 117.00 123.75 1qjx n LEU 100 Ca -0.02 -3.75 0.07 0.00 -0.03 0.00 0.00 56.01 52.29 1qjx n LEU 100 Cb 0.59 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1qjx n LEU 100 CO 0.10 1.22 0.20 0.00 -1.33 0.00 0.00 177.39 177.57 1qjx n GLN 101 N -1.12 1.92 0.13 3.23 1.13 -1.26 -4.33 117.38 117.08 1qjx n GLN 101 Ca 0.39 -0.62 0.12 0.00 -1.94 0.00 0.00 57.00 54.95 1qjx n GLN 101 Cb 1.18 -1.20 0.25 0.00 0.11 0.00 0.00 30.24 30.57 1qjx n GLN 101 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1qjx h GLU 102 N 1.32 0.00 -5.04 -1.09 5.08 -1.82 -3.44 114.58 109.60 1qjx h GLU 102 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1qjx h GLU 102 Cb 0.46 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.36 1qjx h GLU 102 CO 0.00 0.00 -0.84 -1.64 -1.00 0.00 0.00 179.01 175.53 1qjx s MET 103 N -3.17 2.99 0.23 2.33 -1.94 -1.26 -5.03 119.30 113.44 1qjx s MET 103 Ca 0.08 -0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 53.15 1qjx s MET 103 Cb 0.10 -2.66 0.35 0.00 2.01 0.00 0.00 34.83 34.63 1qjx s MET 103 CO 0.66 -0.24 1.78 0.00 -0.01 0.00 0.00 175.02 177.22 1qjx h ALA 104 N 7.95 1.02 -0.07 3.03 0.00 -1.93 -2.62 119.26 126.64 1qjx h ALA 104 Ca -0.43 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1qjx h ALA 104 Cb 1.14 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1qjx h ALA 104 CO 0.62 -0.02 -0.38 1.96 0.00 0.00 0.00 179.25 181.44 1qjx h GLN 105 N 0.64 -0.47 0.00 0.00 4.20 -1.95 -0.63 115.11 116.89 1qjx h GLN 105 Ca 0.36 0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.90 1qjx h GLN 105 Cb 0.37 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1qjx h GLN 105 CO -0.26 -0.31 -0.95 -0.84 -0.67 0.00 0.00 178.83 175.80 1qjx h ILE 106 N -0.49 1.56 -0.19 2.54 3.07 -1.87 -3.29 117.51 118.85 1qjx h ILE 106 Ca 0.07 -3.22 0.01 0.00 1.55 0.00 0.00 64.86 63.28 1qjx h ILE 106 Cb 0.60 2.77 -0.02 0.00 -0.27 0.00 0.00 36.82 39.91 1qjx h ILE 106 CO -0.34 0.89 0.09 -0.09 -1.05 0.00 0.00 178.15 177.65 1qjx h ARG 107 N 0.00 0.19 -0.84 0.16 2.43 -1.18 -2.38 114.38 112.76 1qjx h ARG 107 Ca -0.02 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1qjx h ARG 107 Cb 1.72 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.17 1qjx h ARG 107 CO 0.12 0.12 0.55 -0.09 -1.51 0.00 0.00 179.97 179.16 1qjx h ARG 108 N 0.19 0.92 0.07 0.20 2.43 -1.20 -0.75 114.38 116.25 1qjx h ARG 108 Ca 0.08 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1qjx h ARG 108 Cb 0.02 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1qjx h ARG 108 CO -0.06 0.61 -0.03 0.87 -1.51 0.00 0.00 179.97 179.85 1qjx h LYS 109 N 0.95 -0.09 -0.66 0.20 1.57 -1.54 -3.03 116.57 113.97 1qjx h LYS 109 Ca 0.36 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1qjx h LYS 109 Cb 0.19 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1qjx h LYS 109 CO -0.13 0.26 0.41 0.74 -0.57 0.00 0.00 179.45 180.16 1qjx h PHE 110 N -0.45 0.86 0.00 -1.35 0.04 -1.19 -2.12 116.94 112.73 1qjx h PHE 110 Ca -0.01 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1qjx h PHE 110 Cb 0.39 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1qjx h PHE 110 CO 0.04 0.57 0.00 0.39 -0.60 0.00 0.00 178.31 178.71 1qjx n GLU 111 N -4.41 0.69 -0.15 1.51 1.02 -0.31 -2.38 120.64 116.62 1qjx n GLU 111 Ca 0.07 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 1qjx n GLU 111 Cb 0.06 -1.20 0.27 0.00 -0.02 0.00 0.00 31.44 30.56 1qjx n GLU 111 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1qjx n MET 112 N -0.13 2.19 -4.16 3.49 2.81 -0.80 -4.79 117.12 115.74 1qjx n MET 112 Ca 0.00 -1.80 -0.13 0.00 -1.81 0.00 0.00 57.70 53.96 1qjx n MET 112 Cb 0.10 -1.46 -0.11 0.00 -0.71 0.00 0.00 33.22 31.04 1qjx n MET 112 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1qjx s PHE 113 N -1.60 0.95 -0.06 2.03 0.08 -1.00 -0.49 117.98 117.88 1qjx s PHE 113 Ca 0.36 -0.70 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 1qjx s PHE 113 Cb 0.20 -0.53 -0.30 0.00 -0.57 0.00 0.00 43.02 41.82 1qjx s PHE 113 CO 0.29 -0.05 0.64 1.15 -0.10 0.00 0.00 175.22 177.15 1qjx h THR 114 N 3.53 0.99 -3.85 0.64 2.02 -0.01 -3.43 112.91 112.80 1qjx h THR 114 Ca -0.36 -2.48 -0.39 0.00 0.77 0.00 0.00 66.41 63.95 1qjx h THR 114 Cb 1.18 2.77 -0.20 0.00 -1.74 0.00 0.00 68.15 70.16 1qjx h THR 114 CO 0.54 0.81 -0.76 -0.31 0.37 0.00 0.00 175.52 176.16 1qjx s TYR 115 N -2.54 1.18 -0.13 3.16 2.02 -1.11 -0.81 117.35 119.12 1qjx s TYR 115 Ca -0.17 -0.51 -0.20 0.00 -0.37 0.00 0.00 57.07 55.82 1qjx s TYR 115 Cb 0.05 -0.65 0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1qjx s TYR 115 CO 0.83 0.05 0.51 0.00 -1.57 0.00 0.00 175.55 175.37 1qjx s ALA 116 N -1.61 -1.29 -0.07 3.71 0.00 -1.01 -0.83 121.76 120.66 1qjx s ALA 116 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1qjx s ALA 116 Cb -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1qjx s ALA 116 CO 0.02 -0.28 -0.10 0.50 0.00 0.00 0.00 175.76 175.90 1qjx s ARG 117 N -0.35 1.55 0.17 0.00 3.52 0.53 -0.39 118.95 123.97 1qjx s ARG 117 Ca -0.05 -0.34 -0.24 0.00 -0.13 0.00 0.00 55.73 54.97 1qjx s ARG 117 Cb -0.03 -1.37 0.06 0.00 -1.56 0.00 0.00 34.95 32.04 1qjx s ARG 117 CO 0.03 -0.05 0.79 -0.59 -0.81 0.00 0.00 175.30 174.67 1qjx s PHE 118 N 0.93 -0.28 0.24 5.12 -0.12 -1.26 -0.92 117.98 121.69 1qjx s PHE 118 Ca -0.10 -0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 1qjx s PHE 118 Cb -0.15 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1qjx s PHE 118 CO 0.01 -0.91 0.38 -0.51 -0.05 0.00 0.00 175.22 174.13 1qjx s ASP 119 N -2.81 6.32 0.02 1.98 1.01 0.12 -3.79 116.67 119.52 1qjx s ASP 119 Ca 0.08 0.13 0.09 0.00 0.71 0.00 0.00 52.55 53.56 1qjx s ASP 119 Cb -0.03 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1qjx s ASP 119 CO -0.02 -0.09 -0.25 -0.44 0.21 0.00 0.00 175.17 174.58 1qjx s SER 120 N -3.90 3.18 -0.19 0.27 0.01 -0.12 -0.66 113.70 112.30 1qjx s SER 120 Ca 0.35 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 1qjx s SER 120 Cb -0.09 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1qjx s SER 120 CO 0.30 0.28 -0.14 -0.70 0.41 0.00 0.00 173.24 173.40 1qjx s GLU 121 N -1.00 3.18 -0.17 12.44 2.12 -0.12 -0.32 118.70 134.84 1qjx s GLU 121 Ca 0.11 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.66 1qjx s GLU 121 Cb -0.10 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 1qjx s GLU 121 CO 0.01 -0.14 -0.02 0.42 -0.54 0.00 0.00 175.26 174.99 1qjx s ILE 122 N 1.22 3.98 -0.05 -3.70 1.09 -0.15 -1.84 121.20 121.73 1qjx s ILE 122 Ca 0.02 -0.32 0.04 0.00 -1.10 0.00 0.00 60.65 59.29 1qjx s ILE 122 Cb -0.14 -2.76 -0.00 0.00 -1.06 0.00 0.00 42.46 38.50 1qjx s ILE 122 CO -0.06 0.48 -0.18 -0.89 -0.10 0.00 0.00 174.94 174.19 1qjx s THR 123 N 0.48 1.48 -0.06 2.92 2.01 -0.41 -1.80 115.64 120.26 1qjx s THR 123 Ca -0.02 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1qjx s THR 123 Cb -0.14 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1qjx s THR 123 CO 0.02 0.43 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.22 1qjx s MET 124 N 0.14 2.65 -0.45 4.92 -1.94 -0.74 -0.29 119.30 123.59 1qjx s MET 124 Ca -0.07 -0.66 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 1qjx s MET 124 Cb -0.13 -2.45 0.12 0.00 2.01 0.00 0.00 34.83 34.38 1qjx s MET 124 CO 0.03 0.59 0.20 0.08 -0.01 0.00 0.00 175.02 175.91 1qjx s VAL 125 N -0.63 2.17 0.09 -6.03 1.01 -0.02 -3.86 120.40 113.13 1qjx s VAL 125 Ca 0.09 -2.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.02 1qjx s VAL 125 Cb -0.11 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 1qjx s VAL 125 CO 0.01 -0.77 0.61 -2.16 0.00 0.00 0.00 175.10 172.78 1qjx s PRO 126 N 0.19 4.26 -0.06 2.72 0.05 -1.26 -1.66 135.00 139.23 1qjx s PRO 126 Ca 0.16 0.80 -0.00 0.00 0.05 0.00 0.00 61.00 62.01 1qjx s PRO 126 Cb -0.24 -3.23 0.03 0.00 0.05 0.00 0.00 34.50 31.11 1qjx s PRO 126 CO -0.03 0.62 -0.02 -1.54 0.05 0.00 0.00 177.00 176.08 1qjx s SER 127 N -1.14 1.30 -0.34 6.66 1.04 -0.30 -4.99 113.70 115.92 1qjx s SER 127 Ca 0.31 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 1qjx s SER 127 Cb -0.20 -0.45 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 1qjx s SER 127 CO 0.20 -0.13 0.28 -0.69 0.98 0.00 0.00 173.24 173.87 1qjx s VAL 128 N 1.51 5.25 -0.24 5.02 1.01 -1.26 -1.74 120.40 129.95 1qjx s VAL 128 Ca -0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1qjx s VAL 128 Cb -0.13 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1qjx s VAL 128 CO -0.03 -0.04 0.50 0.00 0.00 0.00 0.00 175.10 175.53 1qjx s ALA 129 N 1.80 3.57 -0.98 5.51 0.00 0.17 -4.94 121.76 126.90 1qjx s ALA 129 Ca 0.08 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 1qjx s ALA 129 Cb -0.17 -2.84 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1qjx s ALA 129 CO 0.11 -0.62 1.39 0.00 0.00 0.00 0.00 175.76 176.64 1qjx s ALA 130 N 2.04 2.80 0.24 0.00 0.00 -1.26 -1.97 121.76 123.62 1qjx s ALA 130 Ca 0.22 -2.25 -0.03 0.00 0.00 0.00 0.00 51.96 49.90 1qjx s ALA 130 Cb -0.15 -4.44 0.28 0.00 0.00 0.00 0.00 23.12 18.81 1qjx s ALA 130 CO 0.09 -3.50 1.73 0.87 0.00 0.00 0.00 175.76 174.95 1qjx h LYS 131 N 9.70 0.83 -0.35 0.00 1.57 -1.79 -3.16 116.57 123.37 1qjx h LYS 131 Ca 0.15 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1qjx h LYS 131 Cb 1.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1qjx h LYS 131 CO 1.37 0.85 0.00 -0.25 -0.57 0.00 0.00 179.45 180.85 1qjx n ASP 132 N -4.20 3.06 0.00 0.86 8.00 -1.14 -5.00 116.55 118.12 1qjx n ASP 132 Ca 0.02 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1qjx n ASP 132 Cb 0.32 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1qjx n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qjx n GLY 133 N 1.02 2.25 3.41 0.44 0.00 -1.20 -4.95 105.19 106.16 1qjx n GLY 133 Ca 0.15 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1qjx n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qjx s HIS 134 N -0.86 2.09 -0.07 1.61 3.76 -1.26 -4.97 115.29 115.59 1qjx s HIS 134 Ca 0.00 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1qjx s HIS 134 Cb 0.00 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.69 1qjx s HIS 134 CO 0.00 0.52 0.07 0.44 -0.85 0.00 0.00 174.74 174.92 1qjx n ILE 135 N -0.15 0.00 -4.01 0.60 -5.35 -1.26 -4.74 119.36 104.45 1qjx n ILE 135 Ca -0.09 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1qjx n ILE 135 Cb 0.58 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1qjx n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qjx n GLY 136 N 1.22 2.91 3.12 3.28 0.00 -1.26 -4.17 105.19 110.29 1qjx n GLY 136 Ca 0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1qjx n GLY 136 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qjx s HIS 137 N 0.00 3.59 -0.18 1.61 2.46 -1.26 -5.08 115.29 116.43 1qjx s HIS 137 Ca 0.00 -2.42 -0.17 0.00 0.47 0.00 0.00 55.06 52.93 1qjx s HIS 137 Cb 0.00 -3.23 -0.04 0.00 -0.13 0.00 0.00 32.58 29.18 1qjx s HIS 137 CO 0.00 -0.97 0.47 0.42 -2.47 0.00 0.00 174.74 172.18 1qjx s ILE 138 N 1.12 5.16 -0.10 0.89 -1.09 -1.26 -4.76 121.20 121.17 1qjx s ILE 138 Ca 0.08 0.87 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 1qjx s ILE 138 Cb -0.23 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1qjx s ILE 138 CO -0.04 0.24 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.08 1qjx s VAL 139 N 1.28 1.37 0.15 2.92 1.01 -1.26 -0.64 120.40 125.22 1qjx s VAL 139 Ca 0.23 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1qjx s VAL 139 Cb -0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1qjx s VAL 139 CO 0.09 0.41 0.03 -0.04 0.00 0.00 0.00 175.10 175.59 1qjx s MET 140 N 0.95 2.55 -0.10 2.72 -1.94 0.61 -0.12 119.30 123.96 1qjx s MET 140 Ca -0.08 -0.98 -0.00 0.00 -1.71 0.00 0.00 55.69 52.92 1qjx s MET 140 Cb -0.15 -2.47 0.02 0.00 2.01 0.00 0.00 34.83 34.24 1qjx s MET 140 CO -0.00 0.49 -0.07 -1.14 -0.01 0.00 0.00 175.02 174.29 1qjx s GLN 141 N -2.79 1.40 -0.28 2.03 0.74 -0.64 -1.41 119.66 118.72 1qjx s GLN 141 Ca 0.28 -0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.44 1qjx s GLN 141 Cb -0.10 -1.48 0.02 0.00 1.10 0.00 0.00 33.01 32.55 1qjx s GLN 141 CO 0.19 -0.25 0.00 0.71 -0.55 0.00 0.00 175.29 175.39 1qjx s TYR 142 N 1.68 3.13 -0.12 1.67 2.02 -0.35 -2.20 117.35 123.18 1qjx s TYR 142 Ca 0.04 -1.41 0.00 0.00 -0.37 0.00 0.00 57.07 55.32 1qjx s TYR 142 Cb -0.13 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1qjx s TYR 142 CO -0.07 -0.69 -0.12 1.41 -1.57 0.00 0.00 175.55 174.51 1qjx s MET 143 N 1.37 3.25 -0.25 -0.62 -2.45 0.23 -0.68 119.30 120.16 1qjx s MET 143 Ca -0.00 -0.66 -0.20 0.00 -1.25 0.00 0.00 55.69 53.59 1qjx s MET 143 Cb -0.17 -2.63 -0.02 0.00 1.25 0.00 0.00 34.83 33.26 1qjx s MET 143 CO -0.01 0.31 0.59 -0.47 1.05 0.00 0.00 175.02 176.49 1qjx s TYR 144 N 0.12 3.30 -0.42 4.11 5.04 -0.34 -1.06 117.35 128.09 1qjx s TYR 144 Ca -0.05 0.78 -0.05 0.00 -2.44 0.00 0.00 57.07 55.31 1qjx s TYR 144 Cb -0.15 -2.79 0.11 0.00 0.35 0.00 0.00 41.96 39.48 1qjx s TYR 144 CO 0.04 -0.28 0.24 0.08 -1.34 0.00 0.00 175.55 174.29 1qjx s VAL 145 N 2.32 3.59 0.70 3.14 1.01 0.80 -4.17 120.40 127.78 1qjx s VAL 145 Ca 0.25 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.16 1qjx s VAL 145 Cb -0.16 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1qjx s VAL 145 CO 0.09 -0.68 1.19 -2.84 0.00 0.00 0.00 175.10 172.86 1qjx s PRO 146 N 1.22 2.37 -0.09 2.72 0.02 -1.26 -0.96 135.00 139.01 1qjx s PRO 146 Ca 0.07 1.71 -0.37 0.00 0.02 0.00 0.00 61.00 62.43 1qjx s PRO 146 Cb -0.24 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.27 1qjx s PRO 146 CO -0.03 -1.65 1.68 -0.35 -0.33 0.00 0.00 177.00 176.32 1qjx n PRO 147 N -2.50 1.56 0.00 5.54 -0.04 -1.26 -1.70 135.00 136.59 1qjx n PRO 147 Ca 0.13 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1qjx n PRO 147 Cb 0.50 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1qjx n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qjx n GLY 148 N 3.80 2.16 3.76 0.55 0.00 -1.26 -5.08 105.19 109.12 1qjx n GLY 148 Ca 0.22 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1qjx n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjx s ALA 149 N -0.91 2.56 0.09 4.61 0.00 -0.69 -4.93 121.76 122.49 1qjx s ALA 149 Ca 0.00 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 1qjx s ALA 149 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1qjx s ALA 149 CO 0.00 -1.09 1.59 -1.25 0.00 0.00 0.00 175.76 175.01 1qjx s PRO 150 N -3.46 4.22 -0.15 0.00 0.04 -1.26 -4.92 135.00 129.47 1qjx s PRO 150 Ca 0.74 2.29 -0.22 0.00 0.04 0.00 0.00 61.00 63.85 1qjx s PRO 150 Cb -0.27 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1qjx s PRO 150 CO 0.33 -0.67 0.69 0.42 0.04 0.00 0.00 177.00 177.81 1qjx s ILE 151 N 2.10 5.01 0.35 0.56 1.01 -1.26 -4.90 121.20 124.08 1qjx s ILE 151 Ca 0.71 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 62.42 1qjx s ILE 151 Cb -0.40 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 1qjx s ILE 151 CO 0.31 0.15 1.53 -2.16 0.00 0.00 0.00 174.94 174.77 1qjx s PRO 152 N 1.54 4.10 0.00 2.79 0.04 -1.26 -4.92 135.00 137.29 1qjx s PRO 152 Ca 0.33 2.59 0.11 0.00 0.04 0.00 0.00 61.00 64.08 1qjx s PRO 152 Cb -0.16 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.45 1qjx s PRO 152 CO 0.13 -0.58 0.79 0.25 0.04 0.00 0.00 177.00 177.63 1qjx n THR 153 N 0.95 0.00 -3.74 1.26 -2.24 -1.26 -5.01 114.28 104.24 1qjx n THR 153 Ca 0.03 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1qjx n THR 153 Cb 0.39 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 1qjx n THR 153 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qjx s THR 154 N -1.10 0.10 -1.06 4.28 -4.23 -1.26 -5.02 115.64 107.35 1qjx s THR 154 Ca 0.12 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1qjx s THR 154 Cb 0.09 -1.15 0.04 0.00 1.34 0.00 0.00 72.50 72.82 1qjx s THR 154 CO 0.18 -0.44 1.12 -2.11 -0.54 0.00 0.00 174.62 172.83 1qjx n ARG 155 N 0.08 0.01 -0.03 3.99 1.85 -1.26 -1.66 116.66 119.64 1qjx n ARG 155 Ca -0.16 0.40 0.03 0.00 -1.00 0.00 0.00 57.85 57.12 1qjx n ARG 155 Cb 0.62 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.57 1qjx n ARG 155 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1qjx n ASP 156 N -1.47 2.06 -4.49 2.89 8.00 -1.26 -5.04 116.55 117.24 1qjx n ASP 156 Ca 0.01 -2.33 -0.41 0.00 0.71 0.00 0.00 54.79 52.77 1qjx n ASP 156 Cb 0.05 -0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.02 1qjx n ASP 156 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qjx n ASP 157 N -0.79 -0.47 0.26 -2.24 -0.08 -0.67 -4.84 116.55 107.73 1qjx n ASP 157 Ca 0.05 0.92 0.11 0.00 -1.51 0.00 0.00 54.79 54.36 1qjx n ASP 157 Cb 0.38 -1.16 0.71 0.00 2.34 0.00 0.00 41.12 43.39 1qjx n ASP 157 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1qjx h TYR 158 N 0.89 0.00 -0.04 -0.67 -0.00 -1.97 -2.50 116.97 112.69 1qjx h TYR 158 Ca -0.41 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.33 1qjx h TYR 158 Cb 1.39 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.12 1qjx h TYR 158 CO 0.37 0.10 0.09 0.00 -0.00 0.00 0.00 178.16 178.72 1qjx h ALA 159 N 1.90 1.34 0.00 0.10 0.00 -1.90 -0.38 119.26 120.32 1qjx h ALA 159 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qjx h ALA 159 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qjx h ALA 159 CO 0.01 -0.11 0.00 0.91 0.00 0.00 0.00 179.25 180.06 1qjx n TRP 160 N -3.38 0.12 0.29 0.00 7.02 -0.94 -2.42 117.44 118.13 1qjx n TRP 160 Ca -0.02 0.05 0.15 0.00 -1.02 0.00 0.00 57.50 56.66 1qjx n TRP 160 Cb 0.17 -0.57 0.90 0.00 -2.42 0.00 0.00 31.31 29.39 1qjx n TRP 160 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1qjx h GLN 161 N 0.00 0.00 -6.34 -0.99 4.20 -1.27 -3.46 115.11 107.25 1qjx h GLN 161 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1qjx h GLN 161 Cb 0.28 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1qjx h GLN 161 CO 0.00 0.01 -0.80 0.45 -0.67 0.00 0.00 178.83 177.82 1qjx n SER 162 N -3.82 -3.19 0.32 1.46 2.88 -1.02 -4.84 113.62 105.40 1qjx n SER 162 Ca -0.03 -0.85 0.20 0.00 -1.33 0.00 0.00 58.87 56.86 1qjx n SER 162 Cb 0.10 -3.65 1.07 0.00 -0.75 0.00 0.00 64.21 60.97 1qjx n SER 162 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1qjx h GLY 163 N -1.92 0.00 0.00 0.46 0.00 -1.89 -3.36 103.07 96.36 1qjx h GLY 163 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1qjx h GLY 163 CO 0.66 0.00 -0.19 2.41 0.00 0.00 0.00 176.54 179.42 1qjx n THR 164 N -3.34 0.00 -1.12 4.70 -1.04 -1.26 -5.10 114.28 107.13 1qjx n THR 164 Ca -0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 1qjx n THR 164 Cb 0.10 -0.10 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 1qjx n THR 164 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1qjx s ASN 165 N -3.22 3.72 -0.08 8.00 0.02 -1.26 -4.96 114.94 117.17 1qjx s ASN 165 Ca 0.00 2.22 -0.22 0.00 -1.02 0.00 0.00 52.86 53.85 1qjx s ASN 165 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 1qjx s ASN 165 CO 0.00 -2.57 0.63 0.00 0.02 0.00 0.00 177.10 175.18 1qjx s ALA 166 N -2.37 3.38 0.10 0.60 0.00 -1.26 -4.85 121.76 117.36 1qjx s ALA 166 Ca 0.70 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1qjx s ALA 166 Cb -0.25 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1qjx s ALA 166 CO 0.52 -0.06 -0.18 -1.12 0.00 0.00 0.00 175.76 174.92 1qjx s SER 167 N 0.69 2.25 -0.11 0.00 0.01 -1.26 -1.20 113.70 114.08 1qjx s SER 167 Ca 0.34 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1qjx s SER 167 Cb -0.17 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1qjx s SER 167 CO 0.16 -0.00 -0.15 -0.69 0.41 0.00 0.00 173.24 172.97 1qjx s VAL 168 N -1.30 1.47 -0.19 3.43 1.01 0.15 -4.96 120.40 119.99 1qjx s VAL 168 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1qjx s VAL 168 Cb -0.09 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1qjx s VAL 168 CO 0.04 0.44 0.03 -0.36 0.00 0.00 0.00 175.10 175.25 1qjx s PHE 169 N 1.06 3.13 -0.02 5.22 0.40 -1.26 -1.21 117.98 125.30 1qjx s PHE 169 Ca -0.05 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.15 1qjx s PHE 169 Cb -0.15 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1qjx s PHE 169 CO -0.03 -0.06 -0.22 -0.46 0.70 0.00 0.00 175.22 175.16 1qjx s TRP 170 N 0.75 2.46 -0.16 0.36 -0.00 -0.50 -4.96 118.94 116.89 1qjx s TRP 170 Ca 0.02 -0.33 -0.02 0.00 -0.00 0.00 0.00 56.10 55.77 1qjx s TRP 170 Cb -0.14 -1.53 -0.01 0.00 -0.00 0.00 0.00 33.47 31.79 1qjx s TRP 170 CO 0.02 0.07 -0.09 -1.14 -0.00 0.00 0.00 176.95 175.81 1qjx s GLN 171 N -0.78 3.43 0.23 5.86 0.74 -1.26 -0.28 119.66 127.60 1qjx s GLN 171 Ca 0.11 -0.64 -0.31 0.00 0.05 0.00 0.00 55.36 54.57 1qjx s GLN 171 Cb -0.10 -2.79 -0.14 0.00 1.10 0.00 0.00 33.01 31.08 1qjx s GLN 171 CO 0.00 0.09 1.31 1.58 -0.55 0.00 0.00 175.29 177.73 1qjx n HIS 172 N 3.91 1.88 0.00 1.67 -0.00 0.18 -1.26 115.22 121.60 1qjx n HIS 172 Ca -0.18 0.52 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1qjx n HIS 172 Cb 0.52 -2.40 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 1qjx n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qjx n GLY 173 N 1.98 2.63 3.85 1.57 0.00 -1.26 -4.91 105.19 109.06 1qjx n GLY 173 Ca 0.12 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1qjx n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qjx s GLN 174 N 0.00 3.67 0.89 1.61 -1.52 -0.39 -5.03 119.66 118.89 1qjx s GLN 174 Ca 0.00 0.87 -0.12 0.00 -1.95 0.00 0.00 55.36 54.16 1qjx s GLN 174 Cb 0.00 -2.09 0.10 0.00 -0.22 0.00 0.00 33.01 30.80 1qjx s GLN 174 CO 0.00 -0.51 0.96 -0.35 -0.25 0.00 0.00 175.29 175.14 1qjx n PRO 175 N -2.30 -0.24 -1.68 2.91 -0.04 -1.26 -4.90 135.00 127.49 1qjx n PRO 175 Ca 0.06 -0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.07 1qjx n PRO 175 Cb 0.54 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1qjx n PRO 175 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qjx n PHE 176 N -3.80 2.40 -1.72 0.54 3.72 -1.26 -4.96 117.46 112.39 1qjx n PHE 176 Ca 0.11 0.20 -0.35 0.00 -0.05 0.00 0.00 57.45 57.37 1qjx n PHE 176 Cb 0.52 -2.58 0.06 0.00 -0.94 0.00 0.00 39.48 36.54 1qjx n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1qjx s PRO 177 N 1.01 2.58 -0.28 -1.08 0.04 -1.25 -4.84 135.00 131.18 1qjx s PRO 177 Ca 0.78 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.30 1qjx s PRO 177 Cb -0.63 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.11 1qjx s PRO 177 CO 0.36 -1.49 0.84 0.50 0.04 0.00 0.00 177.00 177.25 1qjx s ARG 178 N -3.71 0.70 0.20 4.56 3.52 -1.26 -1.79 118.95 121.18 1qjx s ARG 178 Ca 0.74 0.86 -0.16 0.00 -0.13 0.00 0.00 55.73 57.04 1qjx s ARG 178 Cb -0.28 0.33 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 1qjx s ARG 178 CO 0.40 -0.09 0.50 -0.59 -0.81 0.00 0.00 175.30 174.71 1qjx s PHE 179 N 0.41 -0.01 0.18 5.12 -0.12 -0.75 -5.00 117.98 117.82 1qjx s PHE 179 Ca 0.00 -0.35 0.08 0.00 -0.05 0.00 0.00 56.93 56.62 1qjx s PHE 179 Cb -0.05 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1qjx s PHE 179 CO -0.03 -0.91 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.07 1qjx s SER 180 N -2.90 4.58 0.01 1.98 0.01 -1.26 -0.98 113.70 115.13 1qjx s SER 180 Ca 0.12 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1qjx s SER 180 Cb -0.01 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 1qjx s SER 180 CO -0.01 0.09 -0.11 -0.76 0.41 0.00 0.00 173.24 172.87 1qjx s LEU 181 N -2.94 2.07 0.67 2.44 1.43 0.57 -4.98 118.68 117.93 1qjx s LEU 181 Ca 0.27 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1qjx s LEU 181 Cb -0.09 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1qjx s LEU 181 CO 0.17 0.08 1.05 -2.16 0.23 0.00 0.00 176.35 175.72 1qjx s PRO 182 N -0.51 3.00 -0.21 1.29 0.04 -1.26 -0.94 135.00 136.41 1qjx s PRO 182 Ca 0.02 0.42 -0.37 0.00 0.04 0.00 0.00 61.00 61.12 1qjx s PRO 182 Cb -0.05 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 1qjx s PRO 182 CO 0.00 -0.89 1.85 0.34 0.04 0.00 0.00 177.00 178.34 1qjx n PHE 183 N -2.88 2.14 0.72 0.56 7.35 -1.25 -4.72 117.46 119.38 1qjx n PHE 183 Ca 0.06 0.28 0.11 0.00 -0.76 0.00 0.00 57.45 57.14 1qjx n PHE 183 Cb 0.57 -2.56 0.09 0.00 0.35 0.00 0.00 39.48 37.93 1qjx n PHE 183 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1qjx n LEU 184 N 6.37 0.63 -4.70 -2.13 4.77 -1.26 -5.01 117.00 115.67 1qjx n LEU 184 Ca 0.26 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.91 1qjx n LEU 184 Cb 0.21 -0.14 0.14 0.00 -2.33 0.00 0.00 43.42 41.30 1qjx n LEU 184 CO 0.77 0.07 0.71 -0.55 -1.33 0.00 0.00 177.39 177.06 1qjx s SER 185 N -3.64 3.43 0.00 -1.43 0.15 -1.26 -4.91 113.70 106.04 1qjx s SER 185 Ca 0.06 2.16 0.26 0.00 0.70 0.00 0.00 55.95 59.14 1qjx s SER 185 Cb 0.15 -2.56 0.75 0.00 -1.71 0.00 0.00 66.02 62.65 1qjx s SER 185 CO 0.77 -2.76 1.56 2.30 1.20 0.00 0.00 173.24 176.31 1qjx n ILE 186 N -3.82 0.00 -3.56 6.45 -5.35 -1.26 -4.86 119.36 106.96 1qjx n ILE 186 Ca 0.12 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.29 1qjx n ILE 186 Cb 0.52 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.97 1qjx n ILE 186 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qjx n ALA 187 N -0.29 0.42 0.59 -1.28 0.00 -1.26 -5.05 120.51 113.65 1qjx n ALA 187 Ca 0.14 -1.00 0.12 0.00 0.00 0.00 0.00 53.44 52.70 1qjx n ALA 187 Cb 0.37 0.39 0.22 0.00 0.00 0.00 0.00 19.45 20.43 1qjx n ALA 187 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qjx n SER 188 N -2.06 0.71 -3.65 0.00 7.64 -1.26 -4.91 113.62 110.09 1qjx n SER 188 Ca 0.00 0.20 -0.11 0.00 1.01 0.00 0.00 58.87 59.97 1qjx n SER 188 Cb 0.28 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1qjx n SER 188 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjx s ALA 189 N -3.15 -0.91 0.31 -0.43 0.00 -1.26 -4.87 121.76 111.45 1qjx s ALA 189 Ca 0.07 -0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 1qjx s ALA 189 Cb 0.13 0.62 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 1qjx s ALA 189 CO 0.70 -0.60 0.91 0.71 0.00 0.00 0.00 175.76 177.48 1qjx s TYR 190 N -3.58 3.67 -0.24 0.00 2.02 0.48 -4.88 117.35 114.82 1qjx s TYR 190 Ca 0.02 1.72 -0.20 0.00 -0.37 0.00 0.00 57.07 58.24 1qjx s TYR 190 Cb 0.02 -2.88 -0.02 0.00 -0.40 0.00 0.00 41.96 38.68 1qjx s TYR 190 CO -0.10 0.22 0.60 0.71 -1.57 0.00 0.00 175.55 175.41 1qjx s TYR 191 N -1.62 3.31 -0.16 2.71 2.02 -1.26 -2.42 117.35 119.94 1qjx s TYR 191 Ca 0.50 0.81 0.18 0.00 -0.37 0.00 0.00 57.07 58.18 1qjx s TYR 191 Cb -0.18 -2.79 -0.06 0.00 -0.40 0.00 0.00 41.96 38.53 1qjx s TYR 191 CO 0.23 -0.26 1.01 0.52 -1.57 0.00 0.00 175.55 175.48 1qjx h MET 192 N 7.76 0.00 -3.69 -0.62 2.86 -1.25 -3.46 114.93 116.53 1qjx h MET 192 Ca -0.29 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.18 1qjx h MET 192 Cb 1.13 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.57 1qjx h MET 192 CO 0.76 0.28 -0.59 -0.06 1.06 0.00 0.00 176.91 178.35 1qjx s PHE 193 N -3.01 0.09 -0.25 -0.22 0.08 -1.23 -4.94 117.98 108.50 1qjx s PHE 193 Ca -0.01 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 1qjx s PHE 193 Cb 0.08 -0.08 0.13 0.00 -0.57 0.00 0.00 43.02 42.58 1qjx s PHE 193 CO 0.79 -0.20 0.34 -0.47 -0.10 0.00 0.00 175.22 175.58 1qjx s TYR 194 N -1.12 -0.71 -1.30 0.36 5.04 -1.26 -4.94 117.35 113.42 1qjx s TYR 194 Ca -0.12 0.50 -0.06 0.00 -2.44 0.00 0.00 57.07 54.94 1qjx s TYR 194 Cb -0.07 -0.14 0.05 0.00 0.35 0.00 0.00 41.96 42.15 1qjx s TYR 194 CO 0.00 -0.77 2.59 -3.47 -1.34 0.00 0.00 175.55 172.56 1qjx n ASP 195 N 5.35 8.04 -3.69 4.32 2.03 -1.26 -3.59 116.55 127.75 1qjx n ASP 195 Ca -0.03 -2.99 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 1qjx n ASP 195 Cb 0.49 -1.40 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1qjx n ASP 195 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1qjx s GLY 196 N 0.85 1.24 0.34 0.27 0.00 -1.26 -5.02 107.32 103.74 1qjx s GLY 196 Ca 0.59 -1.39 0.05 0.00 0.00 0.00 0.00 44.72 43.96 1qjx s GLY 196 CO -0.09 -1.00 0.04 -0.19 0.00 0.00 0.00 173.10 171.86 1qjx s TYR 197 N -3.61 2.10 -0.78 1.90 1.51 -1.26 -1.99 117.35 115.22 1qjx s TYR 197 Ca 0.30 -0.88 0.16 0.00 -1.01 0.00 0.00 57.07 55.65 1qjx s TYR 197 Cb 0.01 -1.39 0.75 0.00 -0.11 0.00 0.00 41.96 41.22 1qjx s TYR 197 CO 0.15 0.13 1.66 -0.40 -1.11 0.00 0.00 175.55 175.98 1qjx n ASP 198 N -0.75 5.11 -1.67 2.29 5.75 -1.08 -4.96 116.55 121.25 1qjx n ASP 198 Ca -0.03 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.12 1qjx n ASP 198 Cb 0.67 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1qjx n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qjx n GLY 199 N 0.92 0.70 1.92 6.12 0.00 -1.26 -4.93 105.19 108.67 1qjx n GLY 199 Ca 0.26 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 1qjx n GLY 199 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qjx n ASP 200 N -0.49 2.74 -4.41 1.61 5.68 -1.26 -4.90 116.55 115.52 1qjx n ASP 200 Ca 0.01 -3.00 -0.21 0.00 -0.50 0.00 0.00 54.79 51.09 1qjx n ASP 200 Cb 0.14 -0.41 -0.10 0.00 -1.14 0.00 0.00 41.12 39.61 1qjx n ASP 200 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1qjx s THR 201 N -3.42 2.06 0.58 2.12 -4.23 -1.26 -5.01 115.64 106.49 1qjx s THR 201 Ca 0.39 -2.29 0.26 0.00 -1.18 0.00 0.00 61.69 58.87 1qjx s THR 201 Cb 0.37 -2.20 0.26 0.00 1.34 0.00 0.00 72.50 72.26 1qjx s THR 201 CO -0.04 -0.48 1.77 0.10 -0.54 0.00 0.00 174.62 175.44 1qjx h TYR 202 N 2.40 0.00 -0.49 3.99 -0.00 -2.05 0.89 116.97 121.71 1qjx h TYR 202 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.34 1qjx h TYR 202 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1qjx h TYR 202 CO 0.76 0.00 0.00 0.36 -0.00 0.00 0.00 178.16 179.28 1qjx n LYS 203 N -2.75 3.15 -2.61 0.10 2.85 -1.26 -4.99 118.16 112.65 1qjx n LYS 203 Ca -0.02 -2.55 -0.38 0.00 -1.05 0.00 0.00 58.31 54.32 1qjx n LYS 203 Cb 0.42 -1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 1qjx n LYS 203 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1qjx s SER 204 N -1.13 7.09 0.49 -5.58 0.01 0.30 -5.01 113.70 109.88 1qjx s SER 204 Ca 0.39 2.02 -0.20 0.00 1.31 0.00 0.00 55.95 59.47 1qjx s SER 204 Cb 0.25 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 1qjx s SER 204 CO 0.20 -0.25 1.07 -0.13 0.41 0.00 0.00 173.24 174.54 1qjx s ARG 205 N -2.07 3.70 0.05 12.44 0.52 -1.26 -4.86 118.95 127.46 1qjx s ARG 205 Ca 0.52 1.47 0.08 0.00 -0.52 0.00 0.00 55.73 57.28 1qjx s ARG 205 Cb -0.23 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1qjx s ARG 205 CO 0.29 -0.53 -0.24 -0.47 0.02 0.00 0.00 175.30 174.37 1qjx s TYR 206 N -1.87 2.08 0.00 -0.53 5.04 -1.26 -2.62 117.35 118.18 1qjx s TYR 206 Ca 0.68 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1qjx s TYR 206 Cb -0.20 -1.24 0.00 0.00 0.35 0.00 0.00 41.96 40.87 1qjx s TYR 206 CO 0.23 0.11 0.00 0.41 -1.34 0.00 0.00 175.55 174.96 1qjx n GLY 207 N 1.80 -2.65 0.17 8.97 0.00 -0.84 -4.54 105.19 108.11 1qjx n GLY 207 Ca -0.17 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1qjx n GLY 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qjx h THR 208 N 0.00 0.00 0.00 2.61 1.35 -1.76 -1.91 112.91 113.20 1qjx h THR 208 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1qjx h THR 208 Cb 0.00 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1qjx h THR 208 CO 0.00 0.00 -0.08 1.62 -0.25 0.00 0.00 175.52 176.81 1qjx h VAL 209 N 0.00 0.37 -0.03 6.82 3.04 -1.80 0.21 116.25 124.87 1qjx h VAL 209 Ca 0.00 -0.43 -0.18 0.00 -1.01 0.00 0.00 66.70 65.08 1qjx h VAL 209 Cb 0.01 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1qjx h VAL 209 CO 0.00 0.08 -0.78 0.58 -1.01 0.00 0.00 177.57 176.44 1qjx h VAL 210 N 0.00 1.44 0.00 1.51 2.07 -1.65 -3.38 116.25 116.25 1qjx h VAL 210 Ca -0.00 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.16 1qjx h VAL 210 Cb 0.30 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1qjx h VAL 210 CO 0.01 0.69 -1.55 0.35 0.02 0.00 0.00 177.57 177.09 1qjx n THR 211 N -3.75 0.06 -1.63 2.57 -2.24 -0.88 -4.76 114.28 103.65 1qjx n THR 211 Ca -0.03 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 1qjx n THR 211 Cb 0.74 0.16 0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1qjx n THR 211 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qjx n ASN 212 N -1.94 7.50 -4.65 3.42 4.13 0.69 -4.97 115.26 119.44 1qjx n ASN 212 Ca -0.03 -3.81 -0.43 0.00 1.68 0.00 0.00 54.58 51.99 1qjx n ASN 212 Cb 0.35 -0.99 -0.02 0.00 -1.54 0.00 0.00 39.78 37.57 1qjx n ASN 212 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qjx s ASP 213 N -1.59 7.01 0.00 6.41 2.15 -1.26 -4.87 116.67 124.52 1qjx s ASP 213 Ca 0.59 1.21 0.15 0.00 0.43 0.00 0.00 52.55 54.92 1qjx s ASP 213 Cb 0.47 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.72 1qjx s ASP 213 CO -0.19 -0.77 1.03 0.23 -0.17 0.00 0.00 175.17 175.30 1qjx n MET 214 N 6.59 1.36 0.00 4.34 2.81 -1.26 -4.96 117.12 126.00 1qjx n MET 214 Ca 0.12 -1.53 0.00 0.00 -1.81 0.00 0.00 57.70 54.48 1qjx n MET 214 Cb 0.47 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 1qjx n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qjx n GLY 215 N 0.85 -1.74 3.21 3.03 0.00 -1.26 -4.69 105.19 104.58 1qjx n GLY 215 Ca 0.10 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 1qjx n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qjx s THR 216 N 0.00 1.47 -0.27 2.61 2.01 -0.14 -2.08 115.64 119.24 1qjx s THR 216 Ca 0.00 -1.08 -0.08 0.00 0.31 0.00 0.00 61.69 60.85 1qjx s THR 216 Cb 0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1qjx s THR 216 CO 0.00 0.18 0.09 -0.22 -0.69 0.00 0.00 174.62 173.98 1qjx s LEU 217 N -1.06 3.70 -0.17 4.42 2.96 -0.27 -0.14 118.68 128.12 1qjx s LEU 217 Ca 0.06 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1qjx s LEU 217 Cb -0.08 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1qjx s LEU 217 CO 0.01 -0.11 -0.04 0.00 -1.32 0.00 0.00 176.35 174.89 1qjx s SER 219 N 0.68 3.75 -0.13 0.00 0.01 -0.63 -0.60 113.70 116.78 1qjx s SER 219 Ca -0.02 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.00 1qjx s SER 219 Cb -0.15 -0.40 0.10 0.00 0.21 0.00 0.00 66.02 65.78 1qjx s SER 219 CO 0.02 0.04 0.83 0.00 0.41 0.00 0.00 173.24 174.55 1qjx s ARG 220 N -3.46 0.82 -0.36 12.44 1.70 -0.93 -1.33 118.95 127.83 1qjx s ARG 220 Ca 0.29 0.31 -0.25 0.00 -0.47 0.00 0.00 55.73 55.62 1qjx s ARG 220 Cb -0.06 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1qjx s ARG 220 CO 0.15 -0.23 0.86 0.42 -1.08 0.00 0.00 175.30 175.42 1qjx s ILE 221 N -0.90 4.66 0.18 4.99 1.01 -0.40 -1.61 121.20 129.12 1qjx s ILE 221 Ca -0.05 1.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.54 1qjx s ILE 221 Cb -0.01 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.27 1qjx s ILE 221 CO 0.05 -0.48 1.75 0.58 0.00 0.00 0.00 174.94 176.84 1qjx h VAL 222 N 5.78 1.22 -2.49 2.92 2.07 -0.85 -3.44 116.25 121.47 1qjx h VAL 222 Ca -0.24 -0.64 -0.61 0.00 0.82 0.00 0.00 66.70 66.04 1qjx h VAL 222 Cb 1.09 0.51 0.10 0.00 -1.52 0.00 0.00 31.29 31.47 1qjx h VAL 222 CO 0.95 0.26 0.27 0.41 0.02 0.00 0.00 177.57 179.47 1qjx n THR 223 N -4.49 1.63 -1.60 2.57 -1.04 -1.24 -4.96 114.28 105.15 1qjx n THR 223 Ca 0.04 -0.41 -0.29 0.00 -2.04 0.00 0.00 64.05 61.35 1qjx n THR 223 Cb 0.14 -1.10 0.15 0.00 -1.82 0.00 0.00 70.33 67.70 1qjx n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1qjx s SER 224 N -0.30 3.34 0.15 8.00 1.04 -1.26 -4.92 113.70 119.75 1qjx s SER 224 Ca 0.62 0.81 -0.33 0.00 0.48 0.00 0.00 55.95 57.53 1qjx s SER 224 Cb -0.71 -1.27 -0.16 0.00 0.10 0.00 0.00 66.02 63.98 1qjx s SER 224 CO 0.57 -2.64 1.11 1.21 0.98 0.00 0.00 173.24 174.48 1qjx n GLU 225 N -3.80 0.95 -4.42 4.02 2.13 -1.26 -5.00 120.64 113.26 1qjx n GLU 225 Ca 0.09 0.34 -0.24 0.00 0.66 0.00 0.00 57.16 58.00 1qjx n GLU 225 Cb 0.60 -1.81 -0.09 0.00 0.27 0.00 0.00 31.44 30.40 1qjx n GLU 225 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1qjx s GLN 226 N -0.33 1.84 0.10 5.31 -0.21 -1.26 -5.06 119.66 120.05 1qjx s GLN 226 Ca 0.75 -1.65 -0.28 0.00 0.02 0.00 0.00 55.36 54.20 1qjx s GLN 226 Cb -0.91 -1.89 -0.12 0.00 1.00 0.00 0.00 33.01 31.09 1qjx s GLN 226 CO 0.53 0.35 1.65 1.25 -2.12 0.00 0.00 175.29 176.94 1qjx h LEU 227 N 2.23 -0.65 -9.29 2.90 5.85 -2.00 -3.41 115.31 110.94 1qjx h LEU 227 Ca -0.42 0.06 -0.56 0.00 0.84 0.00 0.00 57.88 57.80 1qjx h LEU 227 Cb 1.25 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1qjx h LEU 227 CO 0.59 -0.36 0.35 -1.00 -0.34 0.00 0.00 178.44 177.68 1qjx s HIS 228 N -6.08 3.53 0.28 1.25 3.76 -1.26 -5.04 115.29 111.74 1qjx s HIS 228 Ca -0.16 1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 55.88 1qjx s HIS 228 Cb 0.06 -3.02 -0.09 0.00 1.11 0.00 0.00 32.58 30.64 1qjx s HIS 228 CO 0.64 -0.11 1.07 0.15 -0.85 0.00 0.00 174.74 175.64 1qjx s LYS 229 N 1.55 4.64 0.20 1.40 1.02 -1.26 -4.91 119.74 122.38 1qjx s LYS 229 Ca 0.43 1.72 0.05 0.00 0.02 0.00 0.00 55.97 58.20 1qjx s LYS 229 Cb -0.18 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1qjx s LYS 229 CO 0.18 0.24 -0.08 0.14 -0.92 0.00 0.00 175.35 174.91 1qjx s VAL 230 N -1.21 1.33 -0.19 3.17 -7.23 -1.26 -2.61 120.40 112.40 1qjx s VAL 230 Ca 0.45 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1qjx s VAL 230 Cb -0.30 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.59 1qjx s VAL 230 CO 0.38 -0.55 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.79 1qjx s LYS 231 N -3.75 1.80 -0.28 4.82 2.20 -0.83 -2.13 119.74 121.58 1qjx s LYS 231 Ca 0.23 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.99 1qjx s LYS 231 Cb 0.03 -2.31 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 1qjx s LYS 231 CO 0.06 -0.45 0.12 0.08 -0.36 0.00 0.00 175.35 174.79 1qjx s VAL 232 N 1.47 4.54 -0.21 4.02 1.01 0.60 -0.65 120.40 131.18 1qjx s VAL 232 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1qjx s VAL 232 Cb -0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1qjx s VAL 232 CO -0.08 0.22 -0.06 -0.69 0.00 0.00 0.00 175.10 174.50 1qjx s VAL 233 N 1.63 3.31 -0.27 2.92 1.01 -0.71 -0.92 120.40 127.37 1qjx s VAL 233 Ca 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1qjx s VAL 233 Cb -0.16 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1qjx s VAL 233 CO 0.06 0.44 0.01 -0.89 0.00 0.00 0.00 175.10 174.72 1qjx s THR 234 N 1.30 3.47 -0.19 3.92 2.01 0.70 -1.15 115.64 125.71 1qjx s THR 234 Ca 0.04 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 1qjx s THR 234 Cb -0.14 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1qjx s THR 234 CO -0.03 0.15 0.32 -0.13 -0.69 0.00 0.00 174.62 174.25 1qjx s ARG 235 N 1.42 4.20 -0.23 4.92 0.52 -0.67 -0.73 118.95 128.39 1qjx s ARG 235 Ca 0.02 0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.20 1qjx s ARG 235 Cb -0.17 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1qjx s ARG 235 CO -0.01 0.10 0.25 0.42 0.02 0.00 0.00 175.30 176.09 1qjx s ILE 236 N 0.88 5.29 -0.09 1.52 -1.09 -0.17 -0.84 121.20 126.71 1qjx s ILE 236 Ca 0.17 0.38 -0.00 0.00 -2.23 0.00 0.00 60.65 58.96 1qjx s ILE 236 Cb -0.14 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1qjx s ILE 236 CO 0.06 0.30 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.68 1qjx s TYR 237 N 1.22 2.93 0.06 3.97 1.51 0.60 -0.79 117.35 126.85 1qjx s TYR 237 Ca 0.12 -0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.14 1qjx s TYR 237 Cb -0.14 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1qjx s TYR 237 CO 0.06 0.19 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.87 1qjx s HIS 238 N -0.44 2.13 -0.07 2.71 2.46 0.16 -1.29 115.29 120.95 1qjx s HIS 238 Ca 0.06 -0.40 -0.04 0.00 0.47 0.00 0.00 55.06 55.15 1qjx s HIS 238 Cb -0.12 -1.25 0.03 0.00 -0.13 0.00 0.00 32.58 31.11 1qjx s HIS 238 CO 0.02 0.16 0.16 0.21 -2.47 0.00 0.00 174.74 172.82 1qjx s LYS 239 N -1.40 0.15 0.05 2.88 2.20 -0.77 -1.19 119.74 121.67 1qjx s LYS 239 Ca 0.10 0.30 -0.22 0.00 -0.36 0.00 0.00 55.97 55.79 1qjx s LYS 239 Cb -0.10 -0.03 -0.06 0.00 -1.51 0.00 0.00 37.83 36.13 1qjx s LYS 239 CO 0.03 -0.09 0.67 0.00 -0.36 0.00 0.00 175.35 175.60 1qjx s ALA 240 N 0.60 3.47 0.01 3.13 0.00 -1.17 -0.94 121.76 126.86 1qjx s ALA 240 Ca -0.04 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1qjx s ALA 240 Cb -0.06 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1qjx s ALA 240 CO -0.03 0.20 -0.17 0.15 0.00 0.00 0.00 175.76 175.91 1qjx s LYS 241 N -0.48 1.25 -1.14 0.00 1.02 0.17 -4.14 119.74 116.41 1qjx s LYS 241 Ca 0.34 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.55 1qjx s LYS 241 Cb -0.20 -1.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1qjx s LYS 241 CO 0.21 0.33 0.88 0.72 -0.92 0.00 0.00 175.35 176.57 1qjx n HIS 242 N 2.28 -2.22 -3.21 3.18 8.25 -1.26 -0.70 115.22 121.55 1qjx n HIS 242 Ca -0.16 0.80 -0.33 0.00 -0.26 0.00 0.00 57.72 57.77 1qjx n HIS 242 Cb 0.54 -4.26 -0.06 0.00 1.12 0.00 0.00 29.99 27.33 1qjx n HIS 242 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1qjx s THR 243 N -3.44 4.73 -0.03 1.59 2.01 -1.26 -4.34 115.64 114.89 1qjx s THR 243 Ca 0.29 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.17 1qjx s THR 243 Cb -0.06 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.81 1qjx s THR 243 CO 0.77 -0.05 0.07 -0.54 -0.69 0.00 0.00 174.62 174.18 1qjx s LYS 244 N -2.67 0.04 0.06 4.92 1.02 -0.10 -4.75 119.74 118.27 1qjx s LYS 244 Ca 0.49 0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.71 1qjx s LYS 244 Cb -0.12 -0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.06 1qjx s LYS 244 CO 0.19 -0.10 -0.11 0.00 -0.92 0.00 0.00 175.35 174.42 1qjx s ALA 245 N 0.63 0.88 0.07 5.17 0.00 -1.26 -0.35 121.76 126.89 1qjx s ALA 245 Ca -0.05 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1qjx s ALA 245 Cb -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1qjx s ALA 245 CO -0.02 0.06 -0.11 -1.58 0.00 0.00 0.00 175.76 174.11 1qjx s TRP 246 N -1.40 0.97 -0.32 0.00 0.51 -0.01 -4.98 118.94 113.72 1qjx s TRP 246 Ca -0.05 -0.52 -0.18 0.00 -2.12 0.00 0.00 56.10 53.22 1qjx s TRP 246 Cb -0.10 -0.55 0.03 0.00 -0.81 0.00 0.00 33.47 32.04 1qjx s TRP 246 CO 0.01 -0.01 0.39 0.00 -0.51 0.00 0.00 176.95 176.83 1qjx s PRO 248 N -2.02 2.61 0.21 0.00 0.04 -1.26 -1.42 135.00 133.15 1qjx s PRO 248 Ca 0.20 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.01 1qjx s PRO 248 Cb -0.03 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1qjx s PRO 248 CO 0.63 -1.47 0.10 -0.98 0.04 0.00 0.00 177.00 175.32 1qjx s ARG 249 N -3.65 1.24 0.59 4.56 1.70 0.36 -4.86 118.95 118.89 1qjx s ARG 249 Ca 0.75 -1.65 -0.19 0.00 -0.47 0.00 0.00 55.73 54.17 1qjx s ARG 249 Cb -0.29 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.11 1qjx s ARG 249 CO 0.39 -0.33 1.22 -2.14 -1.08 0.00 0.00 175.30 173.36 1qjx s PRO 250 N -4.09 2.97 0.58 3.89 0.02 -1.26 -4.73 135.00 132.37 1qjx s PRO 250 Ca 0.36 1.85 -0.17 0.00 0.02 0.00 0.00 61.00 63.07 1qjx s PRO 250 Cb 0.07 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 1qjx s PRO 250 CO 0.11 -1.22 1.06 -1.25 -0.33 0.00 0.00 177.00 175.38 1qjx s PRO 251 N -3.31 3.34 0.13 5.54 0.05 -1.26 -4.83 135.00 134.67 1qjx s PRO 251 Ca 0.77 1.28 -0.32 0.00 0.05 0.00 0.00 61.00 62.78 1qjx s PRO 251 Cb -0.31 -2.03 -0.12 0.00 0.05 0.00 0.00 34.50 32.09 1qjx s PRO 251 CO 0.34 -0.80 1.78 -2.13 0.05 0.00 0.00 177.00 176.24 1qjx n ARG 252 N -1.85 2.64 0.02 4.56 3.00 -1.26 -4.88 116.66 118.89 1qjx n ARG 252 Ca 0.09 0.96 0.11 0.00 -0.00 0.00 0.00 57.85 59.01 1qjx n ARG 252 Cb 0.53 -2.82 -0.13 0.00 0.00 0.00 0.00 32.46 30.04 1qjx n ARG 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qjx n ALA 253 N 5.04 2.70 -2.49 5.13 0.00 -1.26 -4.98 120.51 124.66 1qjx n ALA 253 Ca 0.18 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1qjx n ALA 253 Cb 0.35 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1qjx n ALA 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qjx s VAL 254 N -3.46 1.91 0.72 0.00 -7.23 -1.26 -4.34 120.40 106.74 1qjx s VAL 254 Ca -0.06 -2.15 -0.15 0.00 -1.81 0.00 0.00 61.98 57.80 1qjx s VAL 254 Cb 0.13 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.54 1qjx s VAL 254 CO 0.88 -0.24 1.23 -1.10 -0.31 0.00 0.00 175.10 175.56 1qjx s GLN 255 N -3.68 2.14 0.48 4.82 -0.21 -1.26 -5.00 119.66 116.95 1qjx s GLN 255 Ca 0.31 1.84 -0.13 0.00 0.02 0.00 0.00 55.36 57.40 1qjx s GLN 255 Cb 0.03 -1.82 -0.07 0.00 1.00 0.00 0.00 33.01 32.15 1qjx s GLN 255 CO 0.14 -1.85 0.89 0.71 -2.12 0.00 0.00 175.29 173.05 1qjx s TYR 256 N -1.87 3.48 0.00 0.91 2.02 -1.26 -4.76 117.35 115.88 1qjx s TYR 256 Ca 0.76 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 58.69 1qjx s TYR 256 Cb -0.31 -2.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.64 1qjx s TYR 256 CO 0.45 -0.28 0.00 -1.13 -1.57 0.00 0.00 175.55 173.01 1qjx n SER 257 N -1.62 3.08 -4.07 2.29 3.41 -1.26 -5.04 113.62 110.41 1qjx n SER 257 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 1qjx n SER 257 Cb 0.54 0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.57 1qjx n SER 257 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1qjx s HIS 258 N -1.69 0.65 0.47 7.33 3.76 -1.26 -5.14 115.29 119.41 1qjx s HIS 258 Ca 0.00 -1.04 -0.17 0.00 -0.15 0.00 0.00 55.06 53.71 1qjx s HIS 258 Cb 0.00 -0.31 -0.08 0.00 1.11 0.00 0.00 32.58 33.29 1qjx s HIS 258 CO 0.00 -0.58 0.93 0.95 -0.85 0.00 0.00 174.74 175.19 1qjx s THR 259 N -4.00 4.54 -1.64 1.30 -4.23 -1.26 -3.95 115.64 106.40 1qjx s THR 259 Ca 0.20 1.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1qjx s THR 259 Cb 0.06 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1qjx s THR 259 CO -0.00 -0.55 0.00 1.41 -0.54 0.00 0.00 174.62 174.94 1qjx n HIS 260 N -1.25 -0.03 -3.79 3.99 8.25 -1.26 -4.95 115.22 116.18 1qjx n HIS 260 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1qjx n HIS 260 Cb 0.54 -3.06 -0.09 0.00 1.12 0.00 0.00 29.99 28.49 1qjx n HIS 260 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1qjx s THR 261 N -2.30 0.05 -2.23 1.59 -1.32 -1.25 -4.05 115.64 106.13 1qjx s THR 261 Ca 0.00 -0.45 0.19 0.00 -1.21 0.00 0.00 61.69 60.22 1qjx s THR 261 Cb 0.00 -0.53 0.43 0.00 -1.51 0.00 0.00 72.50 70.89 1qjx s THR 261 CO 0.00 -0.25 1.50 0.35 -2.21 0.00 0.00 174.62 174.01 1qjx n THR 262 N 1.60 0.26 -1.53 5.08 -2.24 -1.26 -4.67 114.28 111.52 1qjx n THR 262 Ca -0.20 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 60.81 1qjx n THR 262 Cb 0.56 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1qjx n THR 262 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qjx n ASN 263 N 0.39 -0.11 -4.02 3.42 3.02 -1.26 -5.01 115.26 111.69 1qjx n ASN 263 Ca 0.16 0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 55.44 1qjx n ASN 263 Cb 0.33 -1.26 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 1qjx n ASN 263 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1qjx s TYR 264 N -1.55 0.48 0.03 3.10 -0.85 -1.26 -4.16 117.35 113.14 1qjx s TYR 264 Ca 0.69 -0.82 0.07 0.00 -0.52 0.00 0.00 57.07 56.49 1qjx s TYR 264 Cb -0.48 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 41.88 1qjx s TYR 264 CO 0.53 -0.90 -0.21 -1.59 -1.52 0.00 0.00 175.55 171.86 1qjx s LYS 265 N -4.03 1.49 -0.04 -3.49 -2.85 -1.26 -5.08 119.74 104.48 1qjx s LYS 265 Ca 0.24 -0.93 0.07 0.00 -1.00 0.00 0.00 55.97 54.35 1qjx s LYS 265 Cb 0.01 -1.58 -0.02 0.00 -2.06 0.00 0.00 37.83 34.18 1qjx s LYS 265 CO 0.08 0.41 -0.25 -0.51 0.10 0.00 0.00 175.35 175.18 1qjx s LEU 266 N -1.06 2.09 0.00 2.77 1.43 -1.26 -4.96 118.68 117.70 1qjx s LEU 266 Ca 0.08 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1qjx s LEU 266 Cb -0.09 -1.36 0.13 0.00 0.03 0.00 0.00 46.19 44.90 1qjx s LEU 266 CO 0.01 0.29 0.84 -1.54 0.23 0.00 0.00 176.35 176.18 1qjx n SER 267 N 2.63 0.74 0.17 2.29 3.41 -1.26 -4.98 113.62 116.61 1qjx n SER 267 Ca -0.17 -1.71 0.04 0.00 -0.26 0.00 0.00 58.87 56.77 1qjx n SER 267 Cb 0.51 -0.58 0.24 0.00 -0.26 0.00 0.00 64.21 64.13 1qjx n SER 267 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qjx h SER 268 N -0.72 0.00 -3.54 4.04 4.64 -2.05 -3.34 113.55 112.59 1qjx h SER 268 Ca -0.27 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.34 1qjx h SER 268 Cb 0.92 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.66 1qjx h SER 268 CO 0.26 0.45 -0.16 -1.61 -0.87 0.00 0.00 176.83 174.90 1qjx s GLU 269 N -3.43 3.11 0.49 4.77 2.02 -1.26 -4.95 118.70 119.45 1qjx s GLU 269 Ca 0.01 -3.09 0.27 0.00 0.02 0.00 0.00 54.97 52.18 1qjx s GLU 269 Cb 0.10 -3.91 1.34 0.00 0.10 0.00 0.00 34.13 31.76 1qjx s GLU 269 CO 0.71 -1.25 1.84 -0.39 0.02 0.00 0.00 175.26 176.20 1qjx h VAL 270 N 4.37 0.55 0.00 2.63 -1.51 -1.97 -0.84 116.25 119.47 1qjx h VAL 270 Ca 0.12 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1qjx h VAL 270 Cb 0.85 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1qjx h VAL 270 CO 0.82 0.03 0.06 1.12 -1.23 0.00 0.00 177.57 178.36 1qjx h HIS 271 N 0.17 0.00 0.00 5.19 2.07 -1.92 0.33 115.15 120.98 1qjx h HIS 271 Ca 0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 1qjx h HIS 271 Cb 1.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.63 1qjx h HIS 271 CO -0.00 0.00 -0.61 -0.91 -3.07 0.00 0.00 177.93 173.34 1qjx h ASN 272 N 0.00 0.00 0.95 3.10 2.35 -1.49 -3.33 115.58 117.15 1qjx h ASN 272 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1qjx h ASN 272 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1qjx h ASN 272 CO 0.00 0.03 -0.40 0.47 -1.65 0.00 0.00 177.43 175.88 1qjx n ASP 273 N -2.61 0.61 -4.48 5.81 8.00 0.11 -4.90 116.55 119.09 1qjx n ASP 273 Ca 0.02 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 1qjx n ASP 273 Cb 0.51 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.40 1qjx n ASP 273 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qjx s VAL 274 N -3.10 2.22 -1.39 2.53 -7.23 -1.20 -4.50 120.40 107.73 1qjx s VAL 274 Ca 0.09 -2.28 0.24 0.00 -1.81 0.00 0.00 61.98 58.21 1qjx s VAL 274 Cb 0.15 -2.41 0.39 0.00 0.56 0.00 0.00 36.38 35.06 1qjx s VAL 274 CO 0.67 -0.34 1.77 0.00 -0.31 0.00 0.00 175.10 176.89 1qjx n ALA 275 N -0.65 2.19 -2.05 1.32 0.00 -1.26 -4.81 120.51 115.25 1qjx n ALA 275 Ca -0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1qjx n ALA 275 Cb 0.62 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1qjx n ALA 275 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qjx s ILE 276 N -2.61 3.33 -0.22 0.00 1.01 -1.26 -4.98 121.20 116.46 1qjx s ILE 276 Ca 0.21 0.74 -0.17 0.00 0.00 0.00 0.00 60.65 61.43 1qjx s ILE 276 Cb 0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1qjx s ILE 276 CO 0.37 -0.01 0.45 -0.13 0.00 0.00 0.00 174.94 175.62 1qjx s ARG 277 N 2.62 4.14 0.30 2.79 0.52 -1.26 -4.91 118.95 123.15 1qjx s ARG 277 Ca 0.70 0.26 -0.28 0.00 -0.52 0.00 0.00 55.73 55.88 1qjx s ARG 277 Cb -0.36 -3.58 -0.13 0.00 0.52 0.00 0.00 34.95 31.39 1qjx s ARG 277 CO 0.30 -0.16 1.15 -2.30 0.02 0.00 0.00 175.30 174.31 1qjx n PRO 278 N 4.88 1.69 -3.66 3.54 -0.02 -1.26 -4.98 135.00 135.19 1qjx n PRO 278 Ca -0.07 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 1qjx n PRO 278 Cb 0.51 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1qjx n PRO 278 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1qjx s ARG 279 N -1.55 3.66 0.14 -0.52 0.52 -1.26 -4.99 118.95 114.95 1qjx s ARG 279 Ca 0.59 0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.65 1qjx s ARG 279 Cb -0.65 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 31.86 1qjx s ARG 279 CO 0.60 0.55 1.71 1.15 0.02 0.00 0.00 175.30 179.32 1qjx h THR 280 N 2.60 1.18 -2.39 0.02 2.02 -1.94 -3.47 112.91 110.93 1qjx h THR 280 Ca -0.48 -0.53 0.11 0.00 0.77 0.00 0.00 66.41 66.28 1qjx h THR 280 Cb 1.18 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1qjx h THR 280 CO 0.69 0.20 0.44 -0.46 0.37 0.00 0.00 175.52 176.76 1qjx n ASN 281 N -4.67 -1.41 0.23 4.18 0.23 -1.26 -5.04 115.26 107.52 1qjx n ASN 281 Ca 0.00 -1.77 0.08 0.00 -0.53 0.00 0.00 54.58 52.36 1qjx n ASN 281 Cb 0.12 2.30 0.56 0.00 -2.08 0.00 0.00 39.78 40.68 1qjx n ASN 281 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1qjx h LEU 282 N 0.00 0.00 -2.56 -4.53 3.38 -2.05 -3.14 115.31 106.41 1qjx h LEU 282 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1qjx h LEU 282 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1qjx h LEU 282 CO 0.29 0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.37 1qjx n THR 283 N -3.95 0.78 -3.34 0.22 -2.24 -1.26 -4.86 114.28 99.63 1qjx n THR 283 Ca -0.02 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.44 1qjx n THR 283 Cb 0.29 0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 1qjx n THR 283 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qjx s THR 284 N -1.13 5.12 -2.00 4.28 2.01 -1.19 -5.17 115.64 117.56 1qjx s THR 284 Ca 0.35 -0.61 0.16 0.00 0.31 0.00 0.00 61.69 61.91 1qjx s THR 284 Cb 0.19 -4.08 0.46 0.00 0.01 0.00 0.00 72.50 69.08 1qjx s THR 284 CO 0.26 -0.50 1.38 1.33 -0.69 0.00 0.00 174.62 176.40