#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qba h GLN 29 N 0.00 0.71 -0.84 0.11 5.75 -1.95 -2.28 115.11 116.60 1qba h GLN 29 Ca 0.00 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1qba h GLN 29 Cb 0.00 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1qba h GLN 29 CO 0.00 0.74 0.48 1.96 -2.65 0.00 0.00 178.83 179.36 1qba h GLN 30 N 0.66 1.16 -0.12 1.69 4.20 -1.99 0.13 115.11 120.85 1qba h GLN 30 Ca 0.13 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1qba h GLN 30 Cb 0.45 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1qba h GLN 30 CO 0.02 0.84 -0.00 1.25 -0.67 0.00 0.00 178.83 180.27 1qba h LEU 31 N 1.17 0.20 -0.84 1.46 5.85 -1.89 -0.80 115.31 120.45 1qba h LEU 31 Ca 0.30 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1qba h LEU 31 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1qba h LEU 31 CO -0.05 0.47 0.56 0.58 -0.34 0.00 0.00 178.44 179.65 1qba h VAL 32 N -0.07 1.21 -0.86 1.05 2.07 -0.99 -1.61 116.25 117.05 1qba h VAL 32 Ca 0.03 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1qba h VAL 32 Cb 0.37 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1qba h VAL 32 CO 0.01 0.21 0.42 0.44 0.02 0.00 0.00 177.57 178.66 1qba h ASP 33 N 1.14 1.12 -0.21 0.57 3.32 -0.52 -0.97 116.42 120.87 1qba h ASP 33 Ca 0.31 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1qba h ASP 33 Cb -0.13 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 1qba h ASP 33 CO -0.07 0.93 0.11 1.56 -1.72 0.00 0.00 179.24 180.05 1qba h GLN 34 N 1.22 0.29 -0.28 3.56 4.20 -0.84 -3.05 115.11 120.21 1qba h GLN 34 Ca 0.30 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1qba h GLN 34 Cb 0.11 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1qba h GLN 34 CO -0.04 0.30 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.34 1qba h LEU 35 N 0.21 0.40 -2.16 1.46 3.38 -1.00 -2.44 115.31 115.17 1qba h LEU 35 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qba h LEU 35 Cb 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qba h LEU 35 CO -0.01 0.48 -0.03 0.77 0.09 0.00 0.00 178.44 179.74 1qba h SER 36 N 0.42 0.00 -0.07 -0.43 4.64 -1.07 -1.69 113.55 115.35 1qba h SER 36 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1qba h SER 36 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1qba h SER 36 CO 0.01 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1qba n GLN 37 N -3.25 2.05 -2.26 4.77 6.02 -0.92 -2.22 117.38 121.58 1qba n GLN 37 Ca -0.01 -1.54 -0.40 0.00 -0.01 0.00 0.00 57.00 55.04 1qba n GLN 37 Cb 0.20 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1qba n GLN 37 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qba s LEU 38 N -1.92 4.43 -0.24 1.08 1.43 -0.64 -4.71 118.68 118.11 1qba s LEU 38 Ca 0.33 2.50 -0.09 0.00 -1.03 0.00 0.00 54.13 55.85 1qba s LEU 38 Cb 0.20 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1qba s LEU 38 CO 0.31 -0.44 0.11 -0.54 0.23 0.00 0.00 176.35 176.02 1qba s LYS 39 N -1.77 3.85 0.10 1.70 1.02 -0.52 -4.54 119.74 119.57 1qba s LYS 39 Ca 0.49 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 55.93 1qba s LYS 39 Cb -0.36 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.47 1qba s LYS 39 CO 0.47 -0.06 0.54 -1.17 -0.92 0.00 0.00 175.35 174.21 1qba s LEU 40 N 1.32 4.43 -0.04 3.17 2.96 -1.26 -0.99 118.68 128.28 1qba s LEU 40 Ca 0.06 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1qba s LEU 40 Cb -0.15 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.53 1qba s LEU 40 CO 0.05 0.20 -0.04 0.21 -1.32 0.00 0.00 176.35 175.45 1qba s ASN 41 N -1.40 0.87 -0.14 3.68 3.84 -0.05 -4.65 114.94 117.10 1qba s ASN 41 Ca 0.33 -0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.27 1qba s ASN 41 Cb -0.17 -0.40 -0.01 0.00 -0.55 0.00 0.00 41.25 40.12 1qba s ASN 41 CO 0.18 -0.04 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.62 1qba s VAL 42 N 0.80 2.87 -0.06 -5.21 1.01 0.49 -0.60 120.40 119.71 1qba s VAL 42 Ca -0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1qba s VAL 42 Cb -0.13 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1qba s VAL 42 CO 0.00 0.52 -0.03 -0.75 0.00 0.00 0.00 175.10 174.84 1qba s LYS 43 N 0.59 0.82 0.15 2.72 2.20 -0.49 -0.53 119.74 125.20 1qba s LYS 43 Ca -0.08 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.18 1qba s LYS 43 Cb -0.16 -0.98 -0.09 0.00 -1.51 0.00 0.00 37.83 35.10 1qba s LYS 43 CO 0.03 -0.19 1.40 1.41 -0.36 0.00 0.00 175.35 177.64 1qba s MET 44 N 1.42 4.32 -0.21 4.03 -2.45 -1.26 -0.11 119.30 125.03 1qba s MET 44 Ca -0.03 2.12 -0.09 0.00 -1.25 0.00 0.00 55.69 56.45 1qba s MET 44 Cb -0.13 -3.21 -0.10 0.00 1.25 0.00 0.00 34.83 32.63 1qba s MET 44 CO -0.03 -0.42 -0.26 1.28 1.05 0.00 0.00 175.02 176.64 1qba n LEU 45 N 3.53 1.78 -3.41 4.11 4.77 -0.25 -4.87 117.00 122.66 1qba n LEU 45 Ca 0.10 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1qba n LEU 45 Cb 0.42 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1qba n LEU 45 CO 0.59 0.52 0.14 -0.62 -1.33 0.00 0.00 177.39 176.68 1qba s ASP 46 N -6.76 -0.89 0.00 -1.43 -1.08 -0.68 -4.96 116.67 100.88 1qba s ASP 46 Ca -0.30 1.00 0.29 0.00 -0.52 0.00 0.00 52.55 53.03 1qba s ASP 46 Cb 0.11 1.92 1.33 0.00 -1.46 0.00 0.00 42.92 44.81 1qba s ASP 46 CO 0.39 -0.25 1.94 0.59 0.52 0.00 0.00 175.17 178.36 1qba n ASN 47 N 5.42 0.17 -2.79 -0.34 3.02 -1.26 -0.48 115.26 119.01 1qba n ASN 47 Ca -0.06 -0.18 -0.19 0.00 -0.03 0.00 0.00 54.58 54.13 1qba n ASN 47 Cb 0.50 -0.22 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1qba n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qba n ARG 48 N -1.23 2.04 0.24 3.52 1.74 -1.26 -4.59 116.66 117.11 1qba n ARG 48 Ca 0.13 -3.88 0.07 0.00 -0.77 0.00 0.00 57.85 53.40 1qba n ARG 48 Cb 0.27 -1.78 0.58 0.00 -1.02 0.00 0.00 32.46 30.52 1qba n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qba h ALA 49 N 2.89 1.70 0.00 7.54 0.00 -1.41 -1.02 119.26 128.96 1qba h ALA 49 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1qba h ALA 49 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1qba h ALA 49 CO 0.64 0.16 -0.25 0.78 0.00 0.00 0.00 179.25 180.58 1qba h GLY 50 N 0.43 0.00 2.00 0.00 0.00 -1.72 -1.49 103.07 102.28 1qba h GLY 50 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qba h GLY 50 CO 0.02 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.39 1qba h GLU 51 N 0.00 0.00 -0.51 4.80 5.08 -1.48 -3.37 114.58 119.10 1qba h GLU 51 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1qba h GLU 51 Cb 0.46 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.48 1qba h GLU 51 CO 0.03 0.00 -0.34 0.09 -1.00 0.00 0.00 179.01 177.79 1qba n ASN 52 N -2.97 3.85 0.00 1.42 3.02 -0.70 -4.96 115.26 114.92 1qba n ASN 52 Ca 0.04 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1qba n ASN 52 Cb 0.49 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1qba n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qba n GLY 53 N -0.94 0.62 3.76 7.41 0.00 -1.19 -5.01 105.19 109.84 1qba n GLY 53 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 1qba n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qba s VAL 54 N -2.29 4.87 -1.10 1.61 1.01 -0.65 -4.99 120.40 118.86 1qba s VAL 54 Ca 0.00 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 1qba s VAL 54 Cb 0.00 -3.96 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1qba s VAL 54 CO 0.00 0.42 1.37 -0.62 0.00 0.00 0.00 175.10 176.27 1qba s ASP 55 N -0.24 6.82 0.28 3.32 -1.08 -1.26 -4.16 116.67 120.35 1qba s ASP 55 Ca 0.32 -2.41 0.01 0.00 -0.52 0.00 0.00 52.55 49.95 1qba s ASP 55 Cb -0.19 -2.44 0.41 0.00 -1.46 0.00 0.00 42.92 39.24 1qba s ASP 55 CO 0.18 -1.00 1.77 0.00 0.52 0.00 0.00 175.17 176.64 1qba h ALA 57 N 1.33 0.29 0.00 0.00 0.00 -1.80 -1.46 119.26 117.61 1qba h ALA 57 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1qba h ALA 57 Cb 0.48 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qba h ALA 57 CO 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 179.25 178.84 1qba h ALA 58 N 1.21 1.61 -0.00 0.00 0.00 -1.77 -0.37 119.26 119.94 1qba h ALA 58 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qba h ALA 58 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qba h ALA 58 CO -0.18 0.10 -0.03 1.28 0.00 0.00 0.00 179.25 180.41 1qba n LEU 59 N -4.07 0.35 0.00 0.00 4.77 -0.64 -4.79 117.00 112.62 1qba n LEU 59 Ca -0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1qba n LEU 59 Cb 0.16 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1qba n LEU 59 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1qba n GLY 60 N 1.16 0.61 3.71 -0.72 0.00 -0.51 -4.92 105.19 104.53 1qba n GLY 60 Ca 0.19 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1qba n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qba s ALA 61 N -2.00 3.23 0.13 4.61 0.00 -0.68 -4.57 121.76 122.47 1qba s ALA 61 Ca 0.00 0.63 -0.35 0.00 0.00 0.00 0.00 51.96 52.24 1qba s ALA 61 Cb 0.00 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 1qba s ALA 61 CO 0.00 -0.27 1.52 -3.47 0.00 0.00 0.00 175.76 173.53 1qba n ASP 62 N 3.82 2.66 -2.93 0.00 2.03 -1.26 -0.78 116.55 120.09 1qba n ASP 62 Ca 0.07 1.09 -0.18 0.00 0.52 0.00 0.00 54.79 56.29 1qba n ASP 62 Cb 0.50 -1.35 -0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1qba n ASP 62 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1qba n TRP 63 N 3.26 -1.65 -4.11 -0.67 7.02 -0.19 -2.21 117.44 118.87 1qba n TRP 63 Ca 0.18 0.27 -0.33 0.00 -1.02 0.00 0.00 57.50 56.59 1qba n TRP 63 Cb 0.26 -2.93 -0.01 0.00 -2.42 0.00 0.00 31.31 26.21 1qba n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qba n ALA 64 N -2.95 -1.37 -3.32 6.99 0.00 0.04 -4.70 120.51 115.20 1qba n ALA 64 Ca -0.08 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1qba n ALA 64 Cb 0.57 -3.47 -0.14 0.00 0.00 0.00 0.00 19.45 16.41 1qba n ALA 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qba s SER 65 N -3.44 4.02 0.13 0.00 0.01 -0.94 -4.55 113.70 108.93 1qba s SER 65 Ca 0.62 -0.38 -0.17 0.00 1.31 0.00 0.00 55.95 57.34 1qba s SER 65 Cb -0.33 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.29 1qba s SER 65 CO 0.90 0.09 0.43 0.00 0.41 0.00 0.00 173.24 175.06 1qba s ASN 67 N -2.80 1.53 -0.16 0.00 2.20 -0.39 -1.55 114.94 113.76 1qba s ASN 67 Ca 0.03 -0.78 -0.01 0.00 -0.94 0.00 0.00 52.86 51.16 1qba s ASN 67 Cb 0.01 -0.01 -0.01 0.00 -2.00 0.00 0.00 41.25 39.25 1qba s ASN 67 CO -0.12 -0.22 -0.12 -0.13 -2.94 0.00 0.00 177.10 173.57 1qba s ARG 68 N -2.63 3.30 0.11 3.55 0.52 0.37 -0.65 118.95 123.52 1qba s ARG 68 Ca 0.05 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 54.64 1qba s ARG 68 Cb -0.04 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1qba s ARG 68 CO 0.01 0.02 -0.22 0.08 0.02 0.00 0.00 175.30 175.20 1qba s VAL 69 N 0.84 1.85 -0.21 3.52 1.01 -0.54 -1.09 120.40 125.78 1qba s VAL 69 Ca -0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 1qba s VAL 69 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1qba s VAL 69 CO 0.00 -0.01 -0.02 -0.22 0.00 0.00 0.00 175.10 174.86 1qba s LEU 70 N -1.91 3.12 -0.25 3.92 2.96 0.84 -0.69 118.68 126.66 1qba s LEU 70 Ca 0.08 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.61 1qba s LEU 70 Cb -0.10 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1qba s LEU 70 CO 0.05 0.03 0.20 -0.36 -1.32 0.00 0.00 176.35 174.95 1qba s PHE 71 N 1.17 3.28 -0.16 5.38 0.08 -0.21 -1.39 117.98 126.12 1qba s PHE 71 Ca 0.03 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 1qba s PHE 71 Cb -0.14 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1qba s PHE 71 CO 0.01 -0.04 -0.12 0.99 -0.10 0.00 0.00 175.22 175.96 1qba s THR 72 N 1.39 3.02 -0.28 0.64 2.01 0.24 0.13 115.64 122.79 1qba s THR 72 Ca 0.08 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 1qba s THR 72 Cb -0.15 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.11 1qba s THR 72 CO 0.07 0.50 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.73 1qba s LEU 73 N 0.73 3.68 -0.14 4.42 1.43 -0.29 -0.87 118.68 127.63 1qba s LEU 73 Ca -0.05 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 51.85 1qba s LEU 73 Cb -0.15 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1qba s LEU 73 CO 0.02 -0.22 0.12 -0.44 0.23 0.00 0.00 176.35 176.06 1qba s SER 74 N 1.29 6.15 -0.29 2.29 0.01 -0.16 -0.55 113.70 122.44 1qba s SER 74 Ca -0.03 0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 1qba s SER 74 Cb -0.19 -2.01 0.04 0.00 0.21 0.00 0.00 66.02 64.08 1qba s SER 74 CO -0.02 0.32 -0.01 0.21 0.41 0.00 0.00 173.24 174.15 1qba s ASN 75 N -0.49 4.78 0.00 2.44 2.47 -0.55 -1.43 114.94 122.16 1qba s ASN 75 Ca 0.12 -1.17 0.22 0.00 0.42 0.00 0.00 52.86 52.45 1qba s ASN 75 Cb -0.12 -1.71 0.50 0.00 -1.45 0.00 0.00 41.25 38.47 1qba s ASN 75 CO 0.02 -0.23 1.43 -0.90 -3.72 0.00 0.00 177.10 173.70 1qba n ASP 76 N 4.64 3.12 -0.72 -4.21 5.75 -1.26 -0.97 116.55 122.90 1qba n ASP 76 Ca -0.14 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1qba n ASP 76 Cb 0.44 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1qba n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qba n GLY 77 N 1.44 4.26 3.77 6.12 0.00 -1.26 -4.74 105.19 114.78 1qba n GLY 77 Ca 0.19 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 1qba n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qba s GLN 78 N 0.56 1.91 0.34 1.61 -2.07 -1.26 -2.82 119.66 117.93 1qba s GLN 78 Ca 0.00 0.82 -0.28 0.00 -1.82 0.00 0.00 55.36 54.08 1qba s GLN 78 Cb 0.00 -1.88 -0.12 0.00 -1.09 0.00 0.00 33.01 29.91 1qba s GLN 78 CO 0.00 -1.79 1.22 0.00 -1.32 0.00 0.00 175.29 173.41 1qba n ALA 79 N -3.57 0.97 -3.60 2.60 0.00 -1.26 -4.58 120.51 111.06 1qba n ALA 79 Ca 0.07 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 1qba n ALA 79 Cb 0.55 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 1qba n ALA 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qba s ILE 80 N -1.10 3.36 -0.48 0.00 1.01 0.47 -4.93 121.20 119.53 1qba s ILE 80 Ca 0.57 -1.64 0.10 0.00 0.00 0.00 0.00 60.65 59.67 1qba s ILE 80 Cb -0.59 -3.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.67 1qba s ILE 80 CO 0.61 -0.41 0.42 0.47 0.00 0.00 0.00 174.94 176.03 1qba n ASP 81 N 4.67 0.49 -4.74 3.58 8.00 -1.26 0.17 116.55 127.46 1qba n ASP 81 Ca -0.08 -0.75 -0.35 0.00 0.71 0.00 0.00 54.79 54.33 1qba n ASP 81 Cb 0.43 0.98 0.07 0.00 -0.02 0.00 0.00 41.12 42.57 1qba n ASP 81 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qba s GLY 82 N -1.89 2.47 0.00 0.44 0.00 -1.26 -4.77 107.32 102.31 1qba s GLY 82 Ca 0.04 0.91 0.07 0.00 0.00 0.00 0.00 44.72 45.73 1qba s GLY 82 CO 0.39 1.30 0.39 0.28 0.00 0.00 0.00 173.10 175.46 1qba n LYS 83 N -2.33 3.64 -2.16 2.90 5.02 -1.26 -4.82 118.16 119.16 1qba n LYS 83 Ca 0.13 -0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 1qba n LYS 83 Cb 0.50 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1qba n LYS 83 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qba n ASP 84 N -0.75 6.18 -3.83 4.39 2.03 -1.26 -4.81 116.55 118.51 1qba n ASP 84 Ca 0.02 -3.09 -0.11 0.00 0.52 0.00 0.00 54.79 52.13 1qba n ASP 84 Cb 0.12 -1.45 -0.08 0.00 -0.72 0.00 0.00 41.12 38.99 1qba n ASP 84 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1qba s TRP 85 N 0.02 0.02 -0.04 -0.67 1.48 -1.26 -4.11 118.94 114.38 1qba s TRP 85 Ca 0.46 -0.22 0.02 0.00 -1.06 0.00 0.00 56.10 55.29 1qba s TRP 85 Cb 0.13 -0.01 0.02 0.00 -1.16 0.00 0.00 33.47 32.45 1qba s TRP 85 CO -0.03 -0.44 -0.06 0.08 -4.06 0.00 0.00 176.95 172.44 1qba s VAL 86 N -2.52 0.64 -0.23 -0.66 1.01 -0.65 -4.54 120.40 113.44 1qba s VAL 86 Ca -0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1qba s VAL 86 Cb -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1qba s VAL 86 CO -0.04 0.23 0.10 -0.63 0.00 0.00 0.00 175.10 174.77 1qba s ILE 87 N 0.66 4.80 -0.12 2.22 1.01 -0.33 -0.90 121.20 128.54 1qba s ILE 87 Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 1qba s ILE 87 Cb -0.13 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1qba s ILE 87 CO 0.01 0.36 0.12 -0.31 0.00 0.00 0.00 174.94 175.12 1qba s TYR 88 N 1.15 3.52 0.12 3.97 1.51 0.30 0.35 117.35 128.27 1qba s TYR 88 Ca 0.05 0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 56.49 1qba s TYR 88 Cb -0.14 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1qba s TYR 88 CO 0.04 0.67 0.23 -0.59 -1.11 0.00 0.00 175.55 174.80 1qba s PHE 89 N -0.92 0.26 0.07 2.71 -0.71 -0.62 -1.39 117.98 117.38 1qba s PHE 89 Ca 0.14 -0.66 0.06 0.00 -1.04 0.00 0.00 56.93 55.44 1qba s PHE 89 Cb -0.12 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1qba s PHE 89 CO 0.03 -0.62 -0.09 -1.01 -1.34 0.00 0.00 175.22 172.19 1qba s HIS 90 N -3.91 2.78 -0.24 3.49 3.76 -1.26 -1.15 115.29 118.77 1qba s HIS 90 Ca 0.10 -0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 1qba s HIS 90 Cb 0.04 -1.49 0.07 0.00 1.11 0.00 0.00 32.58 32.31 1qba s HIS 90 CO -0.06 0.40 0.68 0.45 -0.85 0.00 0.00 174.74 175.36 1qba s SER 91 N -1.95 -0.70 0.00 1.40 0.15 -0.35 -4.31 113.70 107.95 1qba s SER 91 Ca 0.20 1.31 0.23 0.00 0.70 0.00 0.00 55.95 58.39 1qba s SER 91 Cb -0.11 1.31 1.09 0.00 -1.71 0.00 0.00 66.02 66.60 1qba s SER 91 CO 0.12 -0.27 1.75 -0.81 1.20 0.00 0.00 173.24 175.23 1qba n PRO 92 N 2.55 0.18 -4.71 5.44 -0.04 -1.26 -4.59 135.00 132.58 1qba n PRO 92 Ca -0.14 0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 63.07 1qba n PRO 92 Cb 0.55 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1qba n PRO 92 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qba s ARG 93 N -2.77 2.54 0.14 0.54 1.81 -1.26 -5.08 118.95 114.88 1qba s ARG 93 Ca 0.17 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.20 1qba s ARG 93 Cb 0.15 -2.44 -0.07 0.00 -0.45 0.00 0.00 34.95 32.14 1qba s ARG 93 CO 0.38 0.62 1.12 -0.65 -0.68 0.00 0.00 175.30 176.10 1qba s GLN 94 N -0.95 4.55 -0.06 3.54 -0.21 -1.26 -4.87 119.66 120.39 1qba s GLN 94 Ca 0.13 1.72 -0.30 0.00 0.02 0.00 0.00 55.36 56.94 1qba s GLN 94 Cb -0.11 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.58 1qba s GLN 94 CO 0.03 -0.02 1.01 0.99 -2.12 0.00 0.00 175.29 175.18 1qba s THR 95 N 0.13 4.76 -0.02 -0.19 2.01 -1.26 -1.24 115.64 119.83 1qba s THR 95 Ca 0.52 2.01 0.15 0.00 0.31 0.00 0.00 61.69 64.67 1qba s THR 95 Cb -0.29 -4.29 -0.22 0.00 0.01 0.00 0.00 72.50 67.70 1qba s THR 95 CO 0.33 0.07 0.31 0.18 -0.69 0.00 0.00 174.62 174.82 1qba n LEU 96 N 4.57 0.00 -3.61 4.42 4.77 0.13 -4.95 117.00 122.33 1qba n LEU 96 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1qba n LEU 96 Cb 0.49 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1qba n LEU 96 CO 0.52 0.01 0.55 -0.60 -1.33 0.00 0.00 177.39 176.54 1qba s ARG 97 N -2.99 0.76 -0.13 3.23 3.52 -1.11 -4.96 118.95 117.26 1qba s ARG 97 Ca -0.05 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 56.24 1qba s ARG 97 Cb 0.09 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1qba s ARG 97 CO 0.60 -0.14 -0.22 0.08 -0.81 0.00 0.00 175.30 174.81 1qba s VAL 98 N -0.11 2.03 -0.24 7.11 1.01 -1.26 -1.17 120.40 127.77 1qba s VAL 98 Ca -0.01 -0.97 0.14 0.00 0.00 0.00 0.00 61.98 61.13 1qba s VAL 98 Cb -0.04 -1.79 0.73 0.00 0.00 0.00 0.00 36.38 35.29 1qba s VAL 98 CO 0.01 0.55 1.68 0.47 0.00 0.00 0.00 175.10 177.81 1qba n ASP 99 N 3.97 5.06 -3.86 3.32 8.00 0.14 -4.72 116.55 128.47 1qba n ASP 99 Ca -0.20 -3.04 -0.29 0.00 0.71 0.00 0.00 54.79 51.97 1qba n ASP 99 Cb 0.52 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 1qba n ASP 99 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qba s ASN 100 N -1.15 3.55 0.00 -2.24 3.84 -1.26 -4.72 114.94 112.95 1qba s ASN 100 Ca 0.52 -1.09 0.23 0.00 0.21 0.00 0.00 52.86 52.73 1qba s ASN 100 Cb 0.41 -0.97 1.36 0.00 -0.55 0.00 0.00 41.25 41.50 1qba s ASN 100 CO 0.13 -0.27 1.74 -0.90 -2.79 0.00 0.00 177.10 175.01 1qba n ASP 101 N 4.81 0.00 0.00 -4.21 5.75 -1.26 -2.01 116.55 119.62 1qba n ASP 101 Ca -0.10 -0.71 0.13 0.00 -0.01 0.00 0.00 54.79 54.10 1qba n ASP 101 Cb 0.45 -0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.14 1qba n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qba n GLN 102 N -1.00 0.03 -4.23 0.11 6.02 -1.26 -4.58 117.38 112.46 1qba n GLN 102 Ca 0.17 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.05 1qba n GLN 102 Cb 0.08 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.74 1qba n GLN 102 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1qba s PHE 103 N -2.97 1.18 0.01 1.08 0.08 -0.85 -0.88 117.98 115.62 1qba s PHE 103 Ca 0.14 -0.82 -0.07 0.00 0.12 0.00 0.00 56.93 56.31 1qba s PHE 103 Cb 0.18 -0.62 -0.00 0.00 -0.57 0.00 0.00 43.02 42.01 1qba s PHE 103 CO 0.50 0.00 0.13 -1.59 -0.10 0.00 0.00 175.22 174.16 1qba s LYS 104 N -3.78 0.49 -0.08 0.44 -2.85 0.57 -4.77 119.74 109.76 1qba s LYS 104 Ca 0.16 -0.45 0.04 0.00 -1.00 0.00 0.00 55.97 54.72 1qba s LYS 104 Cb 0.04 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1qba s LYS 104 CO -0.00 -0.12 -0.20 0.42 0.10 0.00 0.00 175.35 175.55 1qba s ILE 105 N -1.54 1.73 0.10 3.79 1.01 -1.26 -0.69 121.20 124.35 1qba s ILE 105 Ca -0.14 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1qba s ILE 105 Cb -0.07 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1qba s ILE 105 CO 0.01 0.49 -0.16 0.00 0.00 0.00 0.00 174.94 175.27 1qba s ALA 106 N 0.31 1.50 0.03 9.38 0.00 -0.23 -4.95 121.76 127.80 1qba s ALA 106 Ca -0.14 -1.19 -0.21 0.00 0.00 0.00 0.00 51.96 50.43 1qba s ALA 106 Cb -0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1qba s ALA 106 CO 0.06 0.21 0.61 -1.58 0.00 0.00 0.00 175.76 175.05 1qba s HIS 107 N -1.55 3.73 0.00 0.00 2.46 -1.26 0.06 115.29 118.72 1qba s HIS 107 Ca 0.05 1.26 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1qba s HIS 107 Cb -0.08 -2.60 0.00 0.00 -0.13 0.00 0.00 32.58 29.77 1qba s HIS 107 CO 0.03 0.41 0.00 -0.11 -2.47 0.00 0.00 174.74 172.61 1qba n LEU 108 N 2.42 1.02 -3.53 8.88 7.94 0.05 -4.92 117.00 128.86 1qba n LEU 108 Ca -0.07 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.66 1qba n LEU 108 Cb 0.51 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.40 1qba n LEU 108 CO 0.43 0.00 0.51 0.28 -1.11 0.00 0.00 177.39 177.50 1qba s THR 109 N 0.00 0.00 0.00 1.96 -1.32 -1.23 -5.03 115.64 110.02 1qba s THR 109 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1qba s THR 109 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1qba s THR 109 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1qba n GLY 110 N 0.81 2.22 0.76 6.08 0.00 -0.41 -2.47 105.19 112.18 1qba n GLY 110 Ca -0.17 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.50 1qba n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qba n ASP 111 N 4.12 2.23 -4.64 1.61 5.75 -1.26 -4.69 116.55 119.67 1qba n ASP 111 Ca 0.00 -1.91 -0.38 0.00 -0.01 0.00 0.00 54.79 52.49 1qba n ASP 111 Cb 0.00 -0.23 -0.09 0.00 -1.03 0.00 0.00 41.12 39.77 1qba n ASP 111 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qba s LEU 112 N -1.21 4.10 0.22 -2.12 2.96 -1.03 -1.21 118.68 120.39 1qba s LEU 112 Ca 0.31 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 1qba s LEU 112 Cb 0.16 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1qba s LEU 112 CO 0.23 -0.04 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.79 1qba s TYR 113 N 1.43 1.76 -0.03 5.38 1.51 -0.30 -0.77 117.35 126.33 1qba s TYR 113 Ca 0.12 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1qba s TYR 113 Cb -0.15 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1qba s TYR 113 CO 0.07 0.32 -0.12 -1.59 -1.11 0.00 0.00 175.55 173.13 1qba s LYS 114 N -3.67 1.17 -0.24 -0.62 -2.85 0.11 -1.59 119.74 112.05 1qba s LYS 114 Ca 0.24 -0.41 -0.09 0.00 -1.00 0.00 0.00 55.97 54.71 1qba s LYS 114 Cb 0.01 -1.08 -0.04 0.00 -2.06 0.00 0.00 37.83 34.66 1qba s LYS 114 CO 0.08 0.18 0.13 -1.17 0.10 0.00 0.00 175.35 174.67 1qba s LEU 115 N 0.05 3.88 0.11 2.77 2.96 0.15 -1.06 118.68 127.53 1qba s LEU 115 Ca -0.01 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1qba s LEU 115 Cb -0.08 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1qba s LEU 115 CO 0.01 0.04 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.39 1qba s GLU 116 N 1.20 0.88 0.38 1.98 2.02 0.14 -1.19 118.70 124.10 1qba s GLU 116 Ca 0.06 -1.31 -0.24 0.00 0.02 0.00 0.00 54.97 53.49 1qba s GLU 116 Cb -0.14 -0.35 -0.09 0.00 0.10 0.00 0.00 34.13 33.65 1qba s GLU 116 CO 0.05 0.02 1.03 -1.25 0.02 0.00 0.00 175.26 175.13 1qba s PRO 117 N -3.57 4.25 0.53 0.39 0.04 -1.26 -0.32 135.00 135.06 1qba s PRO 117 Ca 0.11 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1qba s PRO 117 Cb 0.03 -2.60 0.10 0.00 0.04 0.00 0.00 34.50 32.06 1qba s PRO 117 CO -0.03 -0.06 0.72 0.25 0.04 0.00 0.00 177.00 177.93 1qba n THR 118 N 0.07 0.00 0.30 1.26 -2.24 -0.06 -4.77 114.28 108.84 1qba n THR 118 Ca 0.04 -1.37 0.18 0.00 -2.27 0.00 0.00 64.05 60.63 1qba n THR 118 Cb 0.49 -0.83 0.95 0.00 -2.10 0.00 0.00 70.33 68.84 1qba n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qba h ALA 119 N -0.25 1.20 -0.00 6.98 0.00 -1.88 -1.80 119.26 123.51 1qba h ALA 119 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1qba h ALA 119 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qba h ALA 119 CO 0.29 0.04 -0.02 1.63 0.00 0.00 0.00 179.25 181.20 1qba n LYS 120 N -3.41 0.24 -1.73 0.00 4.01 -1.26 -4.89 118.16 111.12 1qba n LYS 120 Ca -0.02 -0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.35 1qba n LYS 120 Cb 0.15 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.14 1qba n LYS 120 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1qba s PHE 121 N -2.77 2.89 -0.07 2.13 5.36 -0.68 -4.74 117.98 120.10 1qba s PHE 121 Ca 0.22 0.37 0.10 0.00 -0.96 0.00 0.00 56.93 56.66 1qba s PHE 121 Cb 0.20 -4.14 0.15 0.00 -0.34 0.00 0.00 43.02 38.89 1qba s PHE 121 CO 0.50 -4.29 1.04 -1.13 -1.46 0.00 0.00 175.22 169.88 1qba n SER 122 N 3.82 1.74 0.00 6.13 3.41 -1.26 -4.99 113.62 122.47 1qba n SER 122 Ca 0.15 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1qba n SER 122 Cb 0.35 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1qba n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qba n GLY 123 N -0.88 1.98 3.46 5.00 0.00 -1.26 -4.89 105.19 108.60 1qba n GLY 123 Ca 0.08 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1qba n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qba s PHE 124 N -2.55 3.15 0.61 1.61 0.40 0.13 -4.94 117.98 116.38 1qba s PHE 124 Ca 0.00 -0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 55.64 1qba s PHE 124 Cb 0.00 -3.13 -0.03 0.00 0.51 0.00 0.00 43.02 40.37 1qba s PHE 124 CO 0.00 -0.82 1.22 -2.14 0.70 0.00 0.00 175.22 174.18 1qba s PRO 125 N 2.21 2.85 0.15 0.24 0.02 -1.26 -0.39 135.00 138.81 1qba s PRO 125 Ca 0.12 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 1qba s PRO 125 Cb -0.19 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 1qba s PRO 125 CO 0.12 -1.31 1.67 0.00 -0.33 0.00 0.00 177.00 177.16 1qba s ALA 126 N -1.61 3.81 -0.76 -1.55 0.00 -1.26 -2.78 121.76 117.60 1qba s ALA 126 Ca 0.78 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1qba s ALA 126 Cb -0.31 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1qba s ALA 126 CO 0.35 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1qba n GLY 127 N 3.95 0.82 3.57 0.00 0.00 -0.15 -4.93 105.19 108.44 1qba n GLY 127 Ca 0.15 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1qba n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qba s LYS 128 N -2.29 1.86 -0.08 1.61 -0.14 -1.12 -4.86 119.74 114.72 1qba s LYS 128 Ca 0.00 -2.03 -0.02 0.00 -1.36 0.00 0.00 55.97 52.56 1qba s LYS 128 Cb 0.00 -1.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.64 1qba s LYS 128 CO 0.00 -0.05 0.00 0.00 -0.76 0.00 0.00 175.35 174.55 1qba s ALA 129 N -2.83 3.29 -0.13 5.17 0.00 -1.26 -1.48 121.76 124.53 1qba s ALA 129 Ca 0.35 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1qba s ALA 129 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1qba s ALA 129 CO 0.17 0.59 -0.07 0.08 0.00 0.00 0.00 175.76 176.53 1qba s VAL 130 N -0.89 3.62 -0.18 0.00 1.01 0.28 -4.97 120.40 119.27 1qba s VAL 130 Ca 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1qba s VAL 130 Cb -0.11 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1qba s VAL 130 CO 0.02 0.52 0.02 -1.61 0.00 0.00 0.00 175.10 174.05 1qba s GLU 131 N 0.15 3.80 -0.39 2.72 2.02 -1.26 -1.13 118.70 124.60 1qba s GLU 131 Ca -0.03 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1qba s GLU 131 Cb -0.14 -3.10 0.12 0.00 0.10 0.00 0.00 34.13 31.11 1qba s GLU 131 CO 0.03 0.19 0.17 0.42 0.02 0.00 0.00 175.26 176.09 1qba s ILE 132 N 0.54 1.47 0.18 -1.63 1.01 0.12 -4.81 121.20 118.08 1qba s ILE 132 Ca 0.00 -2.22 -0.30 0.00 0.00 0.00 0.00 60.65 58.13 1qba s ILE 132 Cb -0.14 -2.06 -0.07 0.00 0.01 0.00 0.00 42.46 40.20 1qba s ILE 132 CO 0.02 -0.77 0.98 -2.16 0.00 0.00 0.00 174.94 173.01 1qba s PRO 133 N 0.79 4.73 0.14 2.79 0.05 -1.26 -1.05 135.00 141.19 1qba s PRO 133 Ca 0.14 1.53 0.04 0.00 0.05 0.00 0.00 61.00 62.76 1qba s PRO 133 Cb -0.22 -3.32 -0.04 0.00 0.05 0.00 0.00 34.50 30.98 1qba s PRO 133 CO -0.09 0.30 -0.10 0.14 0.05 0.00 0.00 177.00 177.30 1qba s VAL 134 N -0.51 1.09 -0.16 -0.36 -7.23 0.13 -0.68 120.40 112.68 1qba s VAL 134 Ca 0.45 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1qba s VAL 134 Cb -0.26 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1qba s VAL 134 CO 0.32 -0.74 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.61 1qba s VAL 135 N -3.26 3.51 0.22 1.32 1.01 -0.32 -1.47 120.40 121.41 1qba s VAL 135 Ca 0.15 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1qba s VAL 135 Cb 0.02 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1qba s VAL 135 CO -0.00 0.48 -0.15 0.00 0.00 0.00 0.00 175.10 175.43 1qba s ALA 136 N 0.64 2.81 0.54 5.51 0.00 0.17 0.18 121.76 131.61 1qba s ALA 136 Ca -0.04 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 1qba s ALA 136 Cb -0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1qba s ALA 136 CO 0.02 0.38 1.14 -2.00 0.00 0.00 0.00 175.76 175.30 1qba s GLU 137 N -3.06 3.39 7.69 0.00 2.12 -0.37 -1.27 118.70 127.19 1qba s GLU 137 Ca 0.26 1.64 0.00 0.00 0.36 0.00 0.00 54.97 57.22 1qba s GLU 137 Cb -0.07 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1qba s GLU 137 CO 0.14 -0.83 0.00 0.66 -0.54 0.00 0.00 175.26 174.69 1qba n TYR 138 N -1.22 0.00 -3.74 5.30 4.01 -0.13 -4.70 117.16 116.68 1qba n TYR 138 Ca 0.11 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.75 1qba n TYR 138 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 1qba n TYR 138 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 1qba s TRP 139 N 0.00 -0.07 -0.47 -0.72 -2.14 -1.26 -3.02 118.94 111.27 1qba s TRP 139 Ca 0.00 -0.23 0.03 0.00 2.66 0.00 0.00 56.10 58.56 1qba s TRP 139 Cb 0.00 0.11 0.15 0.00 -3.10 0.00 0.00 33.47 30.64 1qba s TRP 139 CO 0.00 -0.60 0.32 -0.65 -2.66 0.00 0.00 176.95 173.36 1qba s GLN 140 N -3.47 1.26 0.24 3.25 -0.21 -1.26 -5.00 119.66 114.48 1qba s GLN 140 Ca 0.01 -2.20 0.25 0.00 0.02 0.00 0.00 55.36 53.44 1qba s GLN 140 Cb 0.02 -2.06 0.51 0.00 1.00 0.00 0.00 33.01 32.49 1qba s GLN 140 CO -0.09 -1.27 1.56 -0.07 -2.12 0.00 0.00 175.29 173.30 1qba h LEU 141 N 6.13 0.00 -8.43 2.90 3.38 -1.90 -3.45 115.31 113.94 1qba h LEU 141 Ca 0.13 -0.05 -0.62 0.00 0.09 0.00 0.00 57.88 57.43 1qba h LEU 141 Cb 0.89 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.35 1qba h LEU 141 CO 0.45 0.02 -0.86 -0.36 0.09 0.00 0.00 178.44 177.79 1qba s PHE 142 N -3.17 1.93 0.60 1.13 0.40 -1.26 -4.60 117.98 113.02 1qba s PHE 142 Ca 0.08 -0.40 0.31 0.00 -0.60 0.00 0.00 56.93 56.32 1qba s PHE 142 Cb 0.11 -1.25 1.83 0.00 0.51 0.00 0.00 43.02 44.22 1qba s PHE 142 CO 0.66 -0.06 2.20 0.00 0.70 0.00 0.00 175.22 178.72 1qba h ARG 143 N 5.70 0.00 0.00 0.44 3.08 -1.50 -1.48 114.38 120.63 1qba h ARG 143 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1qba h ARG 143 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1qba h ARG 143 CO 0.48 0.00 0.00 -0.97 -1.07 0.00 0.00 179.97 178.41 1qba h ASN 144 N 0.00 0.00 0.39 7.04 -1.24 -1.80 -1.98 115.58 117.99 1qba h ASN 144 Ca 0.03 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1qba h ASN 144 Cb 0.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1qba h ASN 144 CO -0.00 0.00 -0.18 0.44 -1.29 0.00 0.00 177.43 176.40 1qba h ASP 145 N 0.00 0.00 -3.46 1.15 3.32 -1.60 -3.42 116.42 112.41 1qba h ASP 145 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1qba h ASP 145 Cb 0.04 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.49 1qba h ASP 145 CO 0.00 0.18 -0.10 -0.36 -1.72 0.00 0.00 179.24 177.24 1qba s PHE 146 N -4.20 3.38 -0.04 4.55 0.08 -0.75 -4.43 117.98 116.57 1qba s PHE 146 Ca -0.03 0.72 -0.07 0.00 0.12 0.00 0.00 56.93 57.68 1qba s PHE 146 Cb 0.13 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1qba s PHE 146 CO 0.63 -0.05 0.23 -0.51 -0.10 0.00 0.00 175.22 175.41 1qba s LEU 147 N 1.46 4.39 1.08 -0.37 1.43 -1.26 -5.06 118.68 120.34 1qba s LEU 147 Ca 0.22 0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 1qba s LEU 147 Cb -0.15 -2.47 0.24 0.00 0.03 0.00 0.00 46.19 43.84 1qba s LEU 147 CO 0.09 0.31 1.24 -2.16 0.23 0.00 0.00 176.35 176.06 1qba s PRO 148 N -1.50 -0.24 -0.99 1.29 0.04 -1.26 -4.74 135.00 127.58 1qba s PRO 148 Ca 0.23 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 60.94 1qba s PRO 148 Cb -0.13 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1qba s PRO 148 CO 0.13 -3.02 0.85 0.54 0.04 0.00 0.00 177.00 175.54 1qba n ARG 149 N -4.22 -3.36 -2.03 4.56 1.74 -0.23 -4.39 116.66 108.72 1qba n ARG 149 Ca 0.15 0.78 -0.37 0.00 -0.77 0.00 0.00 57.85 57.64 1qba n ARG 149 Cb 0.59 -5.46 0.02 0.00 -1.02 0.00 0.00 32.46 26.60 1qba n ARG 149 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1qba s TRP 150 N -3.34 2.48 0.05 -1.55 0.52 -1.26 -4.50 118.94 111.34 1qba s TRP 150 Ca 0.28 1.49 -0.10 0.00 0.02 0.00 0.00 56.10 57.78 1qba s TRP 150 Cb -0.04 -3.52 0.01 0.00 -1.15 0.00 0.00 33.47 28.77 1qba s TRP 150 CO 0.66 -2.18 0.22 1.52 0.02 0.00 0.00 176.95 177.20 1qba s TYR 151 N -1.53 0.03 0.08 -1.98 -0.85 -0.48 -0.86 117.35 111.75 1qba s TYR 151 Ca 0.73 -0.28 0.08 0.00 -0.52 0.00 0.00 57.07 57.08 1qba s TYR 151 Cb -0.32 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 1qba s TYR 151 CO 0.36 -0.47 -0.18 0.00 -1.52 0.00 0.00 175.55 173.73 1qba s ALA 152 N -2.85 2.63 0.11 9.51 0.00 0.19 -0.54 121.76 130.80 1qba s ALA 152 Ca -0.03 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1qba s ALA 152 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1qba s ALA 152 CO -0.05 0.58 -0.06 0.95 0.00 0.00 0.00 175.76 177.18 1qba s THR 153 N -1.03 0.68 -0.29 0.00 -4.23 -0.07 -2.30 115.64 108.40 1qba s THR 153 Ca 0.16 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.58 1qba s THR 153 Cb -0.11 -1.74 0.12 0.00 1.34 0.00 0.00 72.50 72.12 1qba s THR 153 CO 0.07 -0.83 0.83 -0.55 -0.54 0.00 0.00 174.62 173.61 1qba s SER 154 N -3.06 -0.75 0.00 3.99 0.15 -1.26 -1.64 113.70 111.14 1qba s SER 154 Ca 0.13 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1qba s SER 154 Cb 0.05 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 1qba s SER 154 CO -0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1qba n GLY 155 N 4.18 0.17 0.07 9.45 0.00 -1.26 -2.04 105.19 115.77 1qba n GLY 155 Ca -0.18 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1qba n GLY 155 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qba h ASP 156 N 0.00 -0.29 -1.64 1.61 1.82 -1.96 -3.48 116.42 112.48 1qba h ASP 156 Ca 0.00 0.04 -0.49 0.00 -0.39 0.00 0.00 57.03 56.18 1qba h ASP 156 Cb 0.00 0.11 0.15 0.00 0.68 0.00 0.00 39.33 40.27 1qba h ASP 156 CO 0.00 -0.07 -0.98 0.00 -1.61 0.00 0.00 179.24 176.58 1qba n ALA 157 N -2.69 -2.92 -1.89 -0.78 0.00 -0.86 -5.00 120.51 106.38 1qba n ALA 157 Ca -0.01 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1qba n ALA 157 Cb 0.06 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 1qba n ALA 157 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qba s LYS 158 N -0.87 4.74 0.38 0.00 -0.14 -1.26 -4.66 119.74 117.92 1qba s LYS 158 Ca 0.46 1.36 -0.28 0.00 -1.36 0.00 0.00 55.97 56.15 1qba s LYS 158 Cb -0.39 -3.28 -0.11 0.00 -1.68 0.00 0.00 37.83 32.37 1qba s LYS 158 CO 0.55 0.51 1.46 -2.14 -0.76 0.00 0.00 175.35 174.97 1qba s PRO 159 N -1.05 4.12 -0.02 -1.68 0.02 -1.26 -4.92 135.00 130.21 1qba s PRO 159 Ca 0.40 2.52 0.03 0.00 0.02 0.00 0.00 61.00 63.96 1qba s PRO 159 Cb -0.25 -2.96 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 1qba s PRO 159 CO 0.30 -0.50 -0.11 0.15 -0.33 0.00 0.00 177.00 176.50 1qba s LYS 160 N -2.08 0.98 0.64 5.54 1.02 -0.97 -4.97 119.74 119.90 1qba s LYS 160 Ca 0.53 -0.38 -0.15 0.00 0.02 0.00 0.00 55.97 55.99 1qba s LYS 160 Cb -0.45 -0.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 1qba s LYS 160 CO 0.61 0.19 1.08 -1.64 -0.92 0.00 0.00 175.35 174.68 1qba s MET 161 N -0.07 2.98 -0.50 1.68 -1.94 -1.26 -0.63 119.30 119.55 1qba s MET 161 Ca 0.01 1.27 -0.28 0.00 -1.71 0.00 0.00 55.69 54.98 1qba s MET 161 Cb -0.06 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.80 1qba s MET 161 CO 0.00 -1.09 1.49 -0.51 -0.01 0.00 0.00 175.02 174.90 1qba s LEU 162 N -4.83 3.45 0.31 -0.03 1.02 -0.04 -4.65 118.68 113.90 1qba s LEU 162 Ca 0.65 0.54 0.06 0.00 0.02 0.00 0.00 54.13 55.40 1qba s LEU 162 Cb -0.18 -3.18 0.75 0.00 0.02 0.00 0.00 46.19 43.59 1qba s LEU 162 CO 0.41 -1.70 1.78 0.00 0.02 0.00 0.00 176.35 176.86 1qba h ALA 163 N 11.51 1.68 0.00 4.21 0.00 -1.68 -0.94 119.26 134.04 1qba h ALA 163 Ca -0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qba h ALA 163 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1qba h ALA 163 CO 1.14 -0.06 0.00 0.27 0.00 0.00 0.00 179.25 180.60 1qba n ASN 164 N -4.77 0.56 -0.35 0.00 6.94 -1.26 -1.93 115.26 114.45 1qba n ASN 164 Ca 0.23 0.64 0.12 0.00 -0.02 0.00 0.00 54.58 55.56 1qba n ASN 164 Cb 0.58 -0.76 0.23 0.00 -2.36 0.00 0.00 39.78 37.47 1qba n ASN 164 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1qba n THR 165 N -2.12 0.00 -2.61 5.53 -2.24 -0.36 -4.64 114.28 107.84 1qba n THR 165 Ca 0.02 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1qba n THR 165 Cb 0.22 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1qba n THR 165 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qba n ASP 166 N -0.38 4.96 -3.52 3.42 2.03 -0.81 -1.06 116.55 121.18 1qba n ASP 166 Ca 0.11 -2.95 -0.09 0.00 0.52 0.00 0.00 54.79 52.38 1qba n ASP 166 Cb 0.40 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 1qba n ASP 166 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1qba s THR 167 N 2.72 0.00 -1.62 5.18 -1.32 -1.26 -5.00 115.64 114.33 1qba s THR 167 Ca 0.48 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.20 1qba s THR 167 Cb 0.03 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.07 1qba s THR 167 CO 0.03 0.00 1.27 -0.62 -2.21 0.00 0.00 174.62 173.09 1qba n GLU 168 N -0.05 0.71 -2.96 7.08 -0.58 -1.26 -4.74 120.64 118.85 1qba n GLU 168 Ca -0.09 -0.52 -0.44 0.00 -0.42 0.00 0.00 57.16 55.69 1qba n GLU 168 Cb 0.61 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.95 1qba n GLU 168 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1qba s ASN 169 N -2.65 6.25 0.59 1.62 2.47 -1.26 -4.89 114.94 117.07 1qba s ASN 169 Ca 0.18 -1.32 0.33 0.00 0.42 0.00 0.00 52.86 52.47 1qba s ASN 169 Cb 0.18 -2.37 1.83 0.00 -1.45 0.00 0.00 41.25 39.43 1qba s ASN 169 CO 0.62 -1.27 2.22 -0.07 -3.72 0.00 0.00 177.10 174.88 1qba h LEU 170 N 10.70 0.00 -2.48 3.21 3.38 -1.95 -1.52 115.31 126.66 1qba h LEU 170 Ca -0.22 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1qba h LEU 170 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1qba h LEU 170 CO 1.14 0.04 0.15 0.44 0.09 0.00 0.00 178.44 180.29 1qba h ASP 171 N 0.00 0.00 0.62 -0.43 3.32 -1.90 0.29 116.42 118.32 1qba h ASP 171 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1qba h ASP 171 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1qba h ASP 171 CO 0.00 0.00 -0.24 1.56 -1.72 0.00 0.00 179.24 178.84 1qba h GLN 172 N 0.00 0.00 0.00 3.56 4.20 -1.61 -3.38 115.11 117.88 1qba h GLN 172 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1qba h GLN 172 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1qba h GLN 172 CO -0.00 0.24 0.00 1.97 -0.67 0.00 0.00 178.83 180.37 1qba n PHE 173 N -3.61 0.00 -4.24 2.96 -1.74 -0.14 -4.94 117.46 105.75 1qba n PHE 173 Ca -0.01 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.54 1qba n PHE 173 Cb 0.37 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.22 1qba n PHE 173 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1qba s VAL 174 N 0.00 2.72 0.64 1.97 1.01 0.85 -0.38 120.40 127.22 1qba s VAL 174 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1qba s VAL 174 Cb 0.00 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1qba s VAL 174 CO 0.00 0.49 1.16 0.00 0.00 0.00 0.00 175.10 176.76 1qba s ALA 175 N 1.12 2.43 0.53 5.51 0.00 0.31 -4.49 121.76 127.18 1qba s ALA 175 Ca 0.01 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 1qba s ALA 175 Cb -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1qba s ALA 175 CO -0.04 -1.32 1.35 -2.14 0.00 0.00 0.00 175.76 173.60 1qba s PRO 176 N -3.74 3.25 0.39 0.00 0.02 -1.26 -4.86 135.00 128.80 1qba s PRO 176 Ca 0.72 2.21 -0.23 0.00 0.02 0.00 0.00 61.00 63.72 1qba s PRO 176 Cb -0.26 -2.31 -0.10 0.00 0.02 0.00 0.00 34.50 31.85 1qba s PRO 176 CO 0.38 -1.10 0.96 -0.06 -0.33 0.00 0.00 177.00 176.86 1qba s PHE 177 N -1.31 3.42 0.28 6.54 0.40 -1.26 -4.92 117.98 121.13 1qba s PHE 177 Ca 0.70 1.67 0.05 0.00 -0.60 0.00 0.00 56.93 58.75 1qba s PHE 177 Cb -0.40 -2.91 -0.06 0.00 0.51 0.00 0.00 43.02 40.16 1qba s PHE 177 CO 0.47 -0.08 0.01 0.95 0.70 0.00 0.00 175.22 177.27 1qba s THR 178 N -1.93 1.28 0.00 0.64 -4.23 -1.26 -5.03 115.64 105.11 1qba s THR 178 Ca 0.58 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1qba s THR 178 Cb -0.14 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1qba s THR 178 CO 0.18 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1qba n GLY 179 N -0.57 2.81 1.95 3.99 0.00 -1.26 -1.94 105.19 110.18 1qba n GLY 179 Ca -0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1qba n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qba n ASP 180 N 2.05 3.74 0.25 1.61 5.75 -1.26 -4.59 116.55 124.10 1qba n ASP 180 Ca 0.00 -3.55 0.17 0.00 -0.01 0.00 0.00 54.79 51.40 1qba n ASP 180 Cb 0.00 -0.78 0.83 0.00 -1.03 0.00 0.00 41.12 40.15 1qba n ASP 180 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1qba h GLN 181 N 1.37 0.00 0.00 0.11 4.20 -1.79 -1.81 115.11 117.19 1qba h GLN 181 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1qba h GLN 181 Cb 2.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.29 1qba h GLN 181 CO 0.88 0.00 0.00 0.11 -0.67 0.00 0.00 178.83 179.15 1qba h TRP 182 N 0.00 0.00 -3.58 2.96 5.08 -1.82 -3.45 115.95 115.14 1qba h TRP 182 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1qba h TRP 182 Cb 0.19 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.36 1qba h TRP 182 CO 0.00 0.00 0.51 0.15 -1.28 0.00 0.00 178.44 177.82 1qba s LYS 183 N -3.28 4.56 0.06 0.12 1.02 -0.68 -4.89 119.74 116.65 1qba s LYS 183 Ca 0.06 1.79 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 1qba s LYS 183 Cb 0.09 -3.25 -0.25 0.00 -0.52 0.00 0.00 37.83 33.90 1qba s LYS 183 CO 0.54 0.04 1.14 -0.09 -0.92 0.00 0.00 175.35 176.06 1qba h ARG 184 N 4.91 0.64 -4.53 1.68 2.43 -1.89 -3.46 114.38 114.16 1qba h ARG 184 Ca -0.45 -0.74 -0.22 0.00 -0.81 0.00 0.00 59.98 57.76 1qba h ARG 184 Cb 1.21 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.84 1qba h ARG 184 CO 0.72 1.32 -0.63 0.95 -1.51 0.00 0.00 179.97 180.82 1qba s THR 185 N -3.18 0.07 0.35 0.20 -4.23 -1.26 -4.83 115.64 102.77 1qba s THR 185 Ca -0.10 -1.96 0.33 0.00 -1.18 0.00 0.00 61.69 58.77 1qba s THR 185 Cb 0.06 -2.31 0.35 0.00 1.34 0.00 0.00 72.50 71.95 1qba s THR 185 CO 0.91 -0.20 2.09 0.07 -0.54 0.00 0.00 174.62 176.95 1qba h LYS 186 N 2.72 0.00 -0.25 3.99 -0.00 -1.99 -2.32 116.57 118.72 1qba h LYS 186 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 1qba h LYS 186 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 1qba h LYS 186 CO 0.56 0.07 0.00 -0.25 -0.00 0.00 0.00 179.45 179.83 1qba n ASP 187 N -3.33 2.15 -4.68 7.07 8.00 -1.26 -4.96 116.55 119.54 1qba n ASP 187 Ca -0.01 -1.81 -0.46 0.00 0.71 0.00 0.00 54.79 53.22 1qba n ASP 187 Cb 0.24 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1qba n ASP 187 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qba n ASP 188 N 0.65 3.29 -0.95 -2.24 -0.08 -0.88 -4.87 116.55 111.47 1qba n ASP 188 Ca 0.17 1.05 0.09 0.00 -1.51 0.00 0.00 54.79 54.59 1qba n ASP 188 Cb 0.40 -1.44 0.20 0.00 2.34 0.00 0.00 41.12 42.62 1qba n ASP 188 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qba n LYS 189 N 4.22 2.42 -1.32 -0.67 4.01 0.23 -4.98 118.16 122.06 1qba n LYS 189 Ca 0.18 -2.16 -0.33 0.00 -0.51 0.00 0.00 58.31 55.50 1qba n LYS 189 Cb 0.30 -1.41 0.10 0.00 -0.51 0.00 0.00 35.03 33.51 1qba n LYS 189 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1qba s ASN 190 N -1.15 4.16 -0.23 4.39 0.01 -1.19 -4.68 114.94 116.25 1qba s ASN 190 Ca 0.33 2.17 -0.07 0.00 -0.71 0.00 0.00 52.86 54.58 1qba s ASN 190 Cb 0.18 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1qba s ASN 190 CO 0.25 -2.28 0.06 -0.63 -1.51 0.00 0.00 177.10 172.99 1qba s ILE 191 N -2.32 4.41 0.10 0.60 1.01 -1.26 -5.03 121.20 118.70 1qba s ILE 191 Ca 0.69 -0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.89 1qba s ILE 191 Cb -0.24 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 1qba s ILE 191 CO 0.49 0.38 1.45 -0.22 0.00 0.00 0.00 174.94 177.03 1qba s LEU 192 N 1.24 4.36 -0.33 2.97 2.96 -1.26 -4.64 118.68 123.98 1qba s LEU 192 Ca 0.05 2.35 -0.15 0.00 -0.22 0.00 0.00 54.13 56.16 1qba s LEU 192 Cb -0.14 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1qba s LEU 192 CO 0.03 -0.72 0.36 -0.04 -1.32 0.00 0.00 176.35 174.66 1qba s MET 193 N 1.52 3.63 0.33 1.98 -1.94 -0.20 -4.80 119.30 119.83 1qba s MET 193 Ca 0.66 -0.36 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 1qba s MET 193 Cb -0.37 -3.78 -0.06 0.00 2.01 0.00 0.00 34.83 32.62 1qba s MET 193 CO 0.30 -0.48 0.04 0.95 -0.01 0.00 0.00 175.02 175.82 1qba s THR 194 N 2.02 1.30 0.25 2.05 -4.23 -1.26 -4.76 115.64 111.01 1qba s THR 194 Ca 0.12 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1qba s THR 194 Cb -0.16 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 71.12 1qba s THR 194 CO 0.11 -0.03 1.74 -0.65 -0.54 0.00 0.00 174.62 175.26 1qba h PRO 195 N 2.10 0.50 -0.47 3.99 0.11 -1.81 0.18 132.00 136.58 1qba h PRO 195 Ca -0.41 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1qba h PRO 195 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1qba h PRO 195 CO 0.71 0.33 -0.23 0.00 -0.21 0.00 0.00 178.00 178.59 1qba h ALA 196 N 1.54 0.67 0.00 -0.75 0.00 -1.87 -0.40 119.26 118.45 1qba h ALA 196 Ca 0.42 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1qba h ALA 196 Cb 0.61 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1qba h ALA 196 CO -0.38 0.67 -0.91 0.66 0.00 0.00 0.00 179.25 179.29 1qba h SER 197 N 0.85 0.00 -0.45 0.00 4.64 -1.75 -3.22 113.55 113.61 1qba h SER 197 Ca 0.11 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 1qba h SER 197 Cb 0.81 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1qba h SER 197 CO 0.07 0.88 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.79 1qba h ARG 198 N 0.00 0.88 -0.67 4.77 2.43 -0.58 -2.03 114.38 119.18 1qba h ARG 198 Ca -0.02 -0.27 0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1qba h ARG 198 Cb 1.69 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 31.06 1qba h ARG 198 CO 0.11 0.90 0.23 0.35 -1.51 0.00 0.00 179.97 180.05 1qba h PHE 199 N 0.81 0.38 -0.36 2.20 3.57 -1.14 -0.89 116.94 121.51 1qba h PHE 199 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1qba h PHE 199 Cb 0.53 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1qba h PHE 199 CO 0.03 0.04 0.06 0.28 -2.23 0.00 0.00 178.31 176.49 1qba h VAL 200 N 0.37 1.24 0.00 1.41 2.07 -1.54 -1.60 116.25 118.20 1qba h VAL 200 Ca 0.36 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1qba h VAL 200 Cb 0.52 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1qba h VAL 200 CO -0.38 0.28 -0.15 0.77 0.02 0.00 0.00 177.57 178.11 1qba h SER 201 N 0.44 0.00 -0.05 0.57 4.64 -0.64 -2.34 113.55 116.17 1qba h SER 201 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1qba h SER 201 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1qba h SER 201 CO 0.01 0.15 0.00 0.59 -0.87 0.00 0.00 176.83 176.71 1qba n ASN 202 N -3.93 2.45 0.15 4.97 3.02 -0.41 -4.60 115.26 116.91 1qba n ASN 202 Ca -0.02 -1.81 0.13 0.00 -0.03 0.00 0.00 54.58 52.84 1qba n ASN 202 Cb 0.24 -0.02 0.51 0.00 -0.61 0.00 0.00 39.78 39.90 1qba n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qba h ALA 203 N 4.55 1.00 -0.00 5.41 0.00 -0.72 -2.29 119.26 127.21 1qba h ALA 203 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qba h ALA 203 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qba h ALA 203 CO 0.00 0.00 -0.10 -0.40 0.00 0.00 0.00 179.25 178.75 1qba n ASP 204 N -2.34 0.24 -4.88 0.00 5.68 -1.26 -4.82 116.55 109.16 1qba n ASP 204 Ca 0.02 -0.18 -0.31 0.00 -0.50 0.00 0.00 54.79 53.82 1qba n ASP 204 Cb 0.25 -0.19 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 1qba n ASP 204 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1qba s LEU 205 N -2.68 4.11 0.13 -2.12 1.43 -0.86 -5.03 118.68 113.66 1qba s LEU 205 Ca 0.24 0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 1qba s LEU 205 Cb 0.20 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1qba s LEU 205 CO 0.51 -0.13 0.41 0.00 0.23 0.00 0.00 176.35 177.37 1qba s GLN 206 N -3.10 1.10 -0.18 1.70 -2.07 -1.26 -5.05 119.66 110.81 1qba s GLN 206 Ca 0.47 -0.73 -0.26 0.00 -1.82 0.00 0.00 55.36 53.02 1qba s GLN 206 Cb -0.11 0.47 -0.01 0.00 -1.09 0.00 0.00 33.01 32.27 1qba s GLN 206 CO 0.24 -0.44 0.87 0.99 -1.32 0.00 0.00 175.29 175.63 1qba s THR 207 N -3.81 4.85 0.22 3.63 2.01 -1.26 -4.86 115.64 116.41 1qba s THR 207 Ca 0.04 1.70 -0.16 0.00 0.31 0.00 0.00 61.69 63.58 1qba s THR 207 Cb 0.02 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1qba s THR 207 CO -0.11 -0.00 0.65 -0.76 -0.69 0.00 0.00 174.62 173.71 1qba s LEU 208 N 2.30 4.27 0.47 4.42 1.43 -1.26 -5.04 118.68 125.27 1qba s LEU 208 Ca 0.39 1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 54.49 1qba s LEU 208 Cb -0.16 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 1qba s LEU 208 CO 0.12 0.00 1.32 -2.16 0.23 0.00 0.00 176.35 175.86 1qba s PRO 209 N -2.23 3.60 0.40 1.29 0.04 -1.26 -4.90 135.00 131.95 1qba s PRO 209 Ca 0.44 2.16 0.18 0.00 0.04 0.00 0.00 61.00 63.81 1qba s PRO 209 Cb -0.14 -2.50 1.09 0.00 0.04 0.00 0.00 34.50 32.98 1qba s PRO 209 CO 0.20 -0.80 1.80 0.00 0.04 0.00 0.00 177.00 178.24 1qba h ALA 210 N 2.08 2.22 -0.74 8.56 0.00 -2.01 -0.63 119.26 128.75 1qba h ALA 210 Ca -0.50 0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.61 1qba h ALA 210 Cb 1.27 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1qba h ALA 210 CO 0.60 -0.59 0.50 0.78 0.00 0.00 0.00 179.25 180.55 1qba h GLY 211 N 0.41 0.63 2.00 0.00 0.00 -2.00 -1.18 103.07 102.92 1qba h GLY 211 Ca 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1qba h GLY 211 CO -0.25 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1qba n ALA 212 N -2.54 1.98 0.14 3.60 0.00 -0.24 -3.14 120.51 120.31 1qba n ALA 212 Ca 0.14 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.65 1qba n ALA 212 Cb 0.56 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.78 1qba n ALA 212 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qba n LEU 213 N -1.89 2.94 -4.71 0.00 4.77 -0.45 -4.97 117.00 112.69 1qba n LEU 213 Ca 0.04 -1.57 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 1qba n LEU 213 Cb 0.29 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1qba n LEU 213 CO 0.23 0.66 1.33 -0.60 -1.33 0.00 0.00 177.39 177.67 1qba s ARG 214 N -1.16 4.17 -1.12 3.23 3.52 -1.19 -2.72 118.95 123.69 1qba s ARG 214 Ca 0.28 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 1qba s ARG 214 Cb 0.16 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1qba s ARG 214 CO 0.22 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1qba n GLY 215 N 3.94 1.00 3.38 8.12 0.00 -1.26 -4.98 105.19 115.39 1qba n GLY 215 Ca 0.15 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 1qba n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qba s LYS 216 N -3.19 2.99 0.19 1.61 -0.14 -1.10 -4.97 119.74 115.13 1qba s LYS 216 Ca 0.00 -1.37 -0.21 0.00 -1.36 0.00 0.00 55.97 53.03 1qba s LYS 216 Cb 0.00 -4.15 -0.08 0.00 -1.68 0.00 0.00 37.83 31.92 1qba s LYS 216 CO 0.00 -1.08 0.71 0.42 -0.76 0.00 0.00 175.35 174.64 1qba s ILE 217 N 1.70 4.56 -0.08 2.17 1.01 -1.26 -4.71 121.20 124.59 1qba s ILE 217 Ca 0.05 1.35 0.03 0.00 0.00 0.00 0.00 60.65 62.07 1qba s ILE 217 Cb -0.25 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1qba s ILE 217 CO 0.06 0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 174.47 1qba s VAL 218 N -1.40 1.42 0.69 2.92 1.01 -1.26 -3.12 120.40 120.65 1qba s VAL 218 Ca 0.40 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1qba s VAL 218 Cb -0.18 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1qba s VAL 218 CO 0.22 0.42 1.21 -2.84 0.00 0.00 0.00 175.10 174.10 1qba s PRO 219 N 0.56 2.40 0.13 2.72 0.02 -1.26 -4.87 135.00 134.70 1qba s PRO 219 Ca -0.16 1.78 -0.34 0.00 0.02 0.00 0.00 61.00 62.30 1qba s PRO 219 Cb -0.16 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 1qba s PRO 219 CO 0.05 -1.64 1.58 2.41 -0.33 0.00 0.00 177.00 179.07 1qba n THR 220 N -2.37 0.05 -2.02 0.99 -1.04 -1.18 -4.96 114.28 103.74 1qba n THR 220 Ca 0.14 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.81 1qba n THR 220 Cb 0.50 -1.47 0.02 0.00 -1.82 0.00 0.00 70.33 67.55 1qba n THR 220 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1qba s PRO 221 N 1.14 3.22 0.27 -2.82 0.02 -1.26 -4.61 135.00 130.95 1qba s PRO 221 Ca 0.81 1.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.11 1qba s PRO 221 Cb -0.72 -2.01 0.41 0.00 0.02 0.00 0.00 34.50 32.20 1qba s PRO 221 CO 0.40 -0.91 1.88 0.52 -0.33 0.00 0.00 177.00 178.57 1qba h MET 222 N 0.48 1.14 -2.69 5.54 2.86 -1.85 -3.43 114.93 116.98 1qba h MET 222 Ca -0.47 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 56.97 1qba h MET 222 Cb 1.23 -0.26 -0.26 0.00 0.06 0.00 0.00 31.60 32.37 1qba h MET 222 CO 0.57 0.76 -0.31 -1.14 1.06 0.00 0.00 176.91 177.85 1qba s GLN 223 N -6.04 0.39 -0.09 1.72 2.00 -0.77 -5.02 119.66 111.85 1qba s GLN 223 Ca -0.12 0.73 -0.10 0.00 -2.00 0.00 0.00 55.36 53.87 1qba s GLN 223 Cb 0.20 0.00 0.03 0.00 0.80 0.00 0.00 33.01 34.04 1qba s GLN 223 CO 0.81 -0.14 0.28 0.54 -0.50 0.00 0.00 175.29 176.28 1qba s VAL 224 N 1.21 0.01 -0.21 1.34 0.11 -1.26 -1.48 120.40 120.12 1qba s VAL 224 Ca -0.08 -0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1qba s VAL 224 Cb -0.08 -0.42 0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1qba s VAL 224 CO -0.10 -0.05 -0.04 -0.75 -3.33 0.00 0.00 175.10 170.82 1qba s LYS 225 N -0.11 1.41 -0.05 1.54 2.20 0.84 -5.00 119.74 120.57 1qba s LYS 225 Ca -0.02 -0.77 -0.18 0.00 -0.36 0.00 0.00 55.97 54.64 1qba s LYS 225 Cb -0.03 -2.36 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1qba s LYS 225 CO 0.01 -0.56 0.49 0.08 -0.36 0.00 0.00 175.35 175.01 1qba s VAL 226 N 1.54 5.05 0.36 4.02 1.01 -1.26 -1.26 120.40 129.85 1qba s VAL 226 Ca -0.03 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.03 1qba s VAL 226 Cb -0.18 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1qba s VAL 226 CO -0.07 0.43 0.34 -1.00 0.00 0.00 0.00 175.10 174.80 1qba s HIS 227 N -0.12 2.88 0.11 5.22 0.09 0.10 -4.97 115.29 118.60 1qba s HIS 227 Ca 0.27 -0.34 0.14 0.00 -0.00 0.00 0.00 55.06 55.13 1qba s HIS 227 Cb -0.17 -1.93 0.32 0.00 -0.00 0.00 0.00 32.58 30.80 1qba s HIS 227 CO 0.13 0.06 1.56 0.00 -0.00 0.00 0.00 174.74 176.50 1qba h ALA 228 N 1.13 0.80 -2.25 -1.40 0.00 -1.99 -3.39 119.26 112.17 1qba h ALA 228 Ca -0.44 -0.52 -0.48 0.00 0.00 0.00 0.00 54.91 53.47 1qba h ALA 228 Cb 1.26 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.99 1qba h ALA 228 CO 0.57 0.71 0.38 -0.65 0.00 0.00 0.00 179.25 180.26 1qba s GLN 229 N -3.30 3.79 0.14 0.00 -1.52 -1.26 -4.94 119.66 112.56 1qba s GLN 229 Ca 0.01 0.94 0.08 0.00 -1.95 0.00 0.00 55.36 54.44 1qba s GLN 229 Cb 0.10 -2.11 -0.04 0.00 -0.22 0.00 0.00 33.01 30.74 1qba s GLN 229 CO 0.74 -0.41 -0.11 -0.51 -0.25 0.00 0.00 175.29 174.75 1qba s ASP 230 N -3.28 4.27 -0.09 5.90 1.01 -1.26 -0.83 116.67 122.40 1qba s ASP 230 Ca 0.59 -0.49 -0.07 0.00 0.71 0.00 0.00 52.55 53.29 1qba s ASP 230 Cb -0.11 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 43.03 1qba s ASP 230 CO 0.37 0.15 0.16 0.00 0.21 0.00 0.00 175.17 176.06 1qba s ALA 231 N -1.40 3.89 -0.31 5.23 0.00 0.15 -4.76 121.76 124.55 1qba s ALA 231 Ca 0.22 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1qba s ALA 231 Cb -0.10 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1qba s ALA 231 CO 0.14 0.64 0.16 0.34 0.00 0.00 0.00 175.76 177.04 1qba s ASP 232 N -1.21 5.63 -0.02 0.00 2.15 -1.26 -1.81 116.67 120.14 1qba s ASP 232 Ca 0.18 -0.44 0.15 0.00 0.43 0.00 0.00 52.55 52.88 1qba s ASP 232 Cb -0.12 -2.03 0.46 0.00 -0.30 0.00 0.00 42.92 40.93 1qba s ASP 232 CO 0.07 -0.17 1.39 0.18 -0.17 0.00 0.00 175.17 176.47 1qba n LEU 233 N 5.00 3.48 0.04 -1.34 4.77 0.81 -4.69 117.00 125.06 1qba n LEU 233 Ca -0.14 -2.12 0.04 0.00 -0.03 0.00 0.00 56.01 53.76 1qba n LEU 233 Cb 0.50 -0.36 0.44 0.00 -2.33 0.00 0.00 43.42 41.67 1qba n LEU 233 CO 0.34 0.81 1.13 0.03 -1.33 0.00 0.00 177.39 178.36 1qba h ARG 234 N 2.86 0.45 -0.41 3.23 3.08 -1.87 -1.30 114.38 120.43 1qba h ARG 234 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1qba h ARG 234 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1qba h ARG 234 CO 0.04 0.32 0.00 1.63 -1.07 0.00 0.00 179.97 180.89 1qba n LYS 235 N -4.46 2.16 0.00 0.04 5.02 -1.26 -4.90 118.16 114.76 1qba n LYS 235 Ca 0.02 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1qba n LYS 235 Cb 0.08 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1qba n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qba n GLY 236 N 1.32 0.58 3.23 0.72 0.00 -0.49 -4.59 105.19 105.96 1qba n GLY 236 Ca 0.18 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 1qba n GLY 236 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qba s VAL 237 N -1.02 1.44 -0.35 1.61 -7.23 -0.01 -1.35 120.40 113.49 1qba s VAL 237 Ca 0.00 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1qba s VAL 237 Cb 0.00 -1.33 0.08 0.00 0.56 0.00 0.00 36.38 35.69 1qba s VAL 237 CO 0.00 -0.10 0.11 0.00 -0.31 0.00 0.00 175.10 174.79 1qba s ALA 238 N -1.17 3.00 -0.12 1.32 0.00 0.15 -0.67 121.76 124.28 1qba s ALA 238 Ca 0.03 -2.14 -0.18 0.00 0.00 0.00 0.00 51.96 49.67 1qba s ALA 238 Cb -0.10 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1qba s ALA 238 CO 0.03 -1.54 0.48 -0.51 0.00 0.00 0.00 175.76 174.23 1qba s LEU 239 N 1.20 4.27 -0.80 0.00 1.43 -1.26 -0.85 118.68 122.68 1qba s LEU 239 Ca 0.02 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.83 1qba s LEU 239 Cb -0.21 -2.70 0.21 0.00 0.03 0.00 0.00 46.19 43.52 1qba s LEU 239 CO -0.02 -0.00 0.71 -0.62 0.23 0.00 0.00 176.35 176.64 1qba s ASP 240 N 0.64 6.38 -0.35 2.29 2.15 -0.23 -4.91 116.67 122.63 1qba s ASP 240 Ca 0.26 -2.84 0.08 0.00 0.43 0.00 0.00 52.55 50.48 1qba s ASP 240 Cb -0.15 -2.11 0.61 0.00 -0.30 0.00 0.00 42.92 40.97 1qba s ASP 240 CO 0.10 -0.48 1.70 0.18 -0.17 0.00 0.00 175.17 176.50 1qba n LEU 241 N 3.69 5.47 0.28 -1.34 4.77 -1.26 -3.42 117.00 125.19 1qba n LEU 241 Ca 0.13 -3.57 0.11 0.00 -0.03 0.00 0.00 56.01 52.66 1qba n LEU 241 Cb 0.44 -0.73 0.78 0.00 -2.33 0.00 0.00 43.42 41.58 1qba n LEU 241 CO 0.34 1.06 1.10 0.28 -1.33 0.00 0.00 177.39 178.84 1qba h SER 242 N 1.33 0.00 1.15 -1.43 0.02 -1.92 -1.98 113.55 110.73 1qba h SER 242 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1qba h SER 242 Cb 2.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.78 1qba h SER 242 CO 0.72 0.00 0.00 0.71 -1.14 0.00 0.00 176.83 177.12 1qba h THR 243 N 0.00 0.00 -3.43 -2.27 1.35 -1.87 -3.45 112.91 103.23 1qba h THR 243 Ca -0.00 -0.46 -0.66 0.00 -0.55 0.00 0.00 66.41 64.74 1qba h THR 243 Cb 0.01 1.36 -0.14 0.00 -1.73 0.00 0.00 68.15 67.65 1qba h THR 243 CO 0.00 0.00 -0.68 -0.76 -0.25 0.00 0.00 175.52 173.83 1qba s LEU 244 N -5.15 3.34 0.52 3.87 1.43 -0.74 -4.84 118.68 117.10 1qba s LEU 244 Ca 0.05 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 1qba s LEU 244 Cb 0.09 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 1qba s LEU 244 CO 0.52 0.20 1.20 0.68 0.23 0.00 0.00 176.35 179.18 1qba s VAL 245 N -1.22 2.82 0.23 -1.59 -7.23 -1.26 -4.69 120.40 107.45 1qba s VAL 245 Ca 0.23 0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 60.88 1qba s VAL 245 Cb -0.11 -3.27 0.25 0.00 0.56 0.00 0.00 36.38 33.80 1qba s VAL 245 CO 0.15 -0.05 1.64 0.50 -0.31 0.00 0.00 175.10 177.03 1qba h LYS 246 N 1.53 0.10 -0.84 4.82 1.63 -1.98 -1.17 116.57 120.66 1qba h LYS 246 Ca -0.50 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1qba h LYS 246 Cb 1.27 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.84 1qba h LYS 246 CO 0.58 0.07 0.49 -1.35 -3.45 0.00 0.00 179.45 175.79 1qba h PRO 247 N 0.10 1.14 -0.45 1.90 0.11 -1.95 0.18 132.00 133.04 1qba h PRO 247 Ca 0.37 -0.11 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 1qba h PRO 247 Cb 0.63 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1qba h PRO 247 CO -0.61 0.81 -0.28 0.00 -0.21 0.00 0.00 178.00 177.71 1qba h ALA 248 N 1.38 0.65 -0.38 -0.75 0.00 -1.41 -2.57 119.26 116.18 1qba h ALA 248 Ca 0.30 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1qba h ALA 248 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qba h ALA 248 CO -0.05 0.68 -0.21 0.00 0.00 0.00 0.00 179.25 179.67 1qba h ALA 249 N 0.84 0.92 -0.69 0.00 0.00 -0.63 -2.74 119.26 116.96 1qba h ALA 249 Ca 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1qba h ALA 249 Cb 0.87 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1qba h ALA 249 CO 0.08 0.62 0.24 -0.44 0.00 0.00 0.00 179.25 179.75 1qba h ASP 250 N 0.65 0.95 -0.25 0.00 3.32 -0.58 -1.80 116.42 118.71 1qba h ASP 250 Ca 0.09 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1qba h ASP 250 Cb 0.70 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1qba h ASP 250 CO 0.05 0.87 0.04 0.58 -1.72 0.00 0.00 179.24 179.06 1qba h VAL 251 N 1.00 0.87 -0.04 -1.35 2.07 -1.16 -1.61 116.25 116.03 1qba h VAL 251 Ca 0.23 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1qba h VAL 251 Cb 0.24 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1qba h VAL 251 CO -0.01 0.02 0.02 0.58 0.02 0.00 0.00 177.57 178.20 1qba h VAL 252 N 0.13 1.10 -0.80 2.57 2.07 -1.33 -1.47 116.25 118.53 1qba h VAL 252 Ca 0.12 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1qba h VAL 252 Cb 0.13 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1qba h VAL 252 CO -0.16 0.08 0.48 0.28 0.02 0.00 0.00 177.57 178.27 1qba h SER 253 N -0.05 0.73 -0.66 0.57 0.02 -1.20 -0.47 113.55 112.48 1qba h SER 253 Ca 0.01 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1qba h SER 253 Cb 0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1qba h SER 253 CO -0.00 0.45 0.23 1.56 -1.14 0.00 0.00 176.83 177.93 1qba h GLN 254 N 0.85 1.01 -0.36 3.45 4.20 -1.15 -2.54 115.11 120.58 1qba h GLN 254 Ca 0.36 -0.21 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 1qba h GLN 254 Cb 0.22 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1qba h GLN 254 CO -0.19 0.87 -0.39 -0.09 -0.67 0.00 0.00 178.83 178.36 1qba h ARG 255 N 0.95 0.88 -0.19 1.46 2.43 -0.45 0.48 114.38 119.94 1qba h ARG 255 Ca 0.22 -0.46 0.04 0.00 -0.81 0.00 0.00 59.98 58.96 1qba h ARG 255 Cb 0.27 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1qba h ARG 255 CO -0.01 1.11 -0.05 0.74 -1.51 0.00 0.00 179.97 180.25 1qba h PHE 256 N 0.72 -0.11 -0.80 2.20 0.04 -1.00 -2.20 116.94 115.78 1qba h PHE 256 Ca 0.06 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.88 1qba h PHE 256 Cb 0.97 0.08 -0.05 0.00 2.20 0.00 0.00 35.95 39.15 1qba h PHE 256 CO 0.06 -0.08 0.51 0.00 -0.60 0.00 0.00 178.31 178.20 1qba h ALA 257 N 1.19 1.05 -0.95 2.45 0.00 -1.24 -0.58 119.26 121.18 1qba h ALA 257 Ca 0.09 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1qba h ALA 257 Cb 0.14 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1qba h ALA 257 CO -0.20 0.34 0.59 1.25 0.00 0.00 0.00 179.25 181.23 1qba h LEU 258 N 1.01 0.91 -1.34 0.00 5.85 -0.32 -1.83 115.31 119.58 1qba h LEU 258 Ca 0.32 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1qba h LEU 258 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1qba h LEU 258 CO -0.11 0.54 0.00 0.18 -0.34 0.00 0.00 178.44 178.71 1qba n LEU 259 N -4.60 1.96 0.00 2.25 4.77 -0.88 -4.89 117.00 115.60 1qba n LEU 259 Ca 0.16 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1qba n LEU 259 Cb 0.25 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1qba n LEU 259 CO 0.29 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1qba n GLY 260 N 0.91 0.63 3.21 -0.72 0.00 -0.69 -4.97 105.19 103.57 1qba n GLY 260 Ca 0.11 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1qba n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qba s VAL 261 N -2.00 3.92 0.53 1.61 1.01 -0.27 -4.98 120.40 120.22 1qba s VAL 261 Ca 0.00 -1.70 -0.22 0.00 0.00 0.00 0.00 61.98 60.06 1qba s VAL 261 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1qba s VAL 261 CO 0.00 -0.63 1.30 -2.16 0.00 0.00 0.00 175.10 173.61 1qba s PRO 262 N 1.32 3.27 -0.34 2.72 0.04 -1.26 -2.99 135.00 137.76 1qba s PRO 262 Ca 0.05 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1qba s PRO 262 Cb -0.24 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1qba s PRO 262 CO -0.01 -1.04 0.26 0.08 0.04 0.00 0.00 177.00 176.34 1qba s VAL 263 N -1.39 5.26 -0.09 -0.36 1.01 -1.26 -0.83 120.40 122.75 1qba s VAL 263 Ca 0.70 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 1qba s VAL 263 Cb -0.37 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1qba s VAL 263 CO 0.43 -0.01 0.35 0.00 0.00 0.00 0.00 175.10 175.87 1qba s GLN 264 N 1.79 0.54 0.54 2.72 1.03 0.16 -4.90 119.66 121.53 1qba s GLN 264 Ca 0.07 0.24 0.21 0.00 0.04 0.00 0.00 55.36 55.92 1qba s GLN 264 Cb -0.17 0.25 1.40 0.00 0.03 0.00 0.00 33.01 34.52 1qba s GLN 264 CO 0.11 -0.11 2.11 1.79 -2.54 0.00 0.00 175.29 176.65 1qba h THR 265 N 4.26 0.82 -0.04 3.63 1.35 -1.97 -1.83 112.91 119.13 1qba h THR 265 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1qba h THR 265 Cb 1.18 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1qba h THR 265 CO 0.33 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.40 1qba n ASN 266 N -4.35 1.52 -3.20 5.36 4.05 -1.26 -4.78 115.26 112.60 1qba n ASN 266 Ca 0.01 -1.53 -0.19 0.00 0.45 0.00 0.00 54.58 53.33 1qba n ASN 266 Cb 0.26 -0.02 0.13 0.00 1.23 0.00 0.00 39.78 41.39 1qba n ASN 266 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qba n GLY 267 N 1.17 -1.35 3.66 8.20 0.00 -0.69 -4.97 105.19 111.21 1qba n GLY 267 Ca 0.19 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1qba n GLY 267 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qba s TYR 268 N -2.83 1.53 0.01 1.61 6.14 -0.46 -4.08 117.35 119.28 1qba s TYR 268 Ca 0.48 -0.27 -0.30 0.00 0.64 0.00 0.00 57.07 57.61 1qba s TYR 268 Cb -0.01 -4.17 -0.04 0.00 0.42 0.00 0.00 41.96 38.16 1qba s TYR 268 CO 0.33 -5.13 1.07 -1.25 0.64 0.00 0.00 175.55 171.21 1qba s PRO 269 N 4.14 4.49 -0.23 4.97 0.04 -1.26 0.33 135.00 147.49 1qba s PRO 269 Ca 0.84 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1qba s PRO 269 Cb -0.41 -3.44 0.05 0.00 0.04 0.00 0.00 34.50 30.74 1qba s PRO 269 CO 0.38 -0.17 -0.10 0.42 0.04 0.00 0.00 177.00 177.57 1qba s ILE 270 N 1.20 1.84 -0.03 0.56 1.01 -0.03 -0.33 121.20 125.42 1qba s ILE 270 Ca 0.54 -1.28 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1qba s ILE 270 Cb -0.24 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1qba s ILE 270 CO 0.27 0.06 0.17 -0.54 0.00 0.00 0.00 174.94 174.90 1qba s LYS 271 N 1.28 3.42 0.09 2.79 1.02 0.40 -1.07 119.74 127.66 1qba s LYS 271 Ca -0.05 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 55.71 1qba s LYS 271 Cb -0.18 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1qba s LYS 271 CO -0.07 0.70 -0.16 0.95 -0.92 0.00 0.00 175.35 175.85 1qba s THR 272 N -1.25 1.27 -0.03 2.17 -4.23 -1.22 0.02 115.64 112.37 1qba s THR 272 Ca 0.24 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1qba s THR 272 Cb -0.12 -1.25 0.06 0.00 1.34 0.00 0.00 72.50 72.52 1qba s THR 272 CO 0.15 -0.22 0.56 -0.62 -0.54 0.00 0.00 174.62 173.95 1qba s ASP 273 N -1.89 -0.51 -0.22 3.99 2.15 -0.49 -4.80 116.67 114.90 1qba s ASP 273 Ca 0.01 0.49 -0.04 0.00 0.43 0.00 0.00 52.55 53.44 1qba s ASP 273 Cb -0.09 0.47 -0.01 0.00 -0.30 0.00 0.00 42.92 43.00 1qba s ASP 273 CO 0.03 -0.58 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.78 1qba s ILE 274 N -1.38 3.37 -0.42 4.11 1.01 -1.26 -0.07 121.20 126.56 1qba s ILE 274 Ca -0.11 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1qba s ILE 274 Cb -0.01 -2.54 0.17 0.00 0.01 0.00 0.00 42.46 40.08 1qba s ILE 274 CO 0.07 0.41 0.37 0.00 0.00 0.00 0.00 174.94 175.78 1qba n GLN 275 N 4.79 0.21 -0.21 2.79 1.13 -0.46 -4.95 117.38 120.69 1qba n GLN 275 Ca -0.18 -3.10 0.13 0.00 -1.94 0.00 0.00 57.00 51.91 1qba n GLN 275 Cb 0.51 -1.65 0.43 0.00 0.11 0.00 0.00 30.24 29.64 1qba n GLN 275 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1qba h PRO 276 N 5.57 0.55 0.00 -1.09 0.11 -1.74 -2.53 132.00 132.87 1qba h PRO 276 Ca 0.25 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1qba h PRO 276 Cb 0.92 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1qba h PRO 276 CO 0.35 0.37 -0.01 0.78 -0.21 0.00 0.00 178.00 179.27 1qba h GLY 277 N 0.57 0.00 1.63 -0.55 0.00 -1.94 -2.63 103.07 100.15 1qba h GLY 277 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1qba h GLY 277 CO -0.15 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.67 1qba n LYS 278 N -3.21 0.34 -4.65 4.80 5.02 -0.95 -4.81 118.16 114.70 1qba n LYS 278 Ca -0.02 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 1qba n LYS 278 Cb 0.13 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 1qba n LYS 278 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1qba s PHE 279 N -2.63 2.90 0.11 2.13 0.40 -0.99 -5.09 117.98 114.82 1qba s PHE 279 Ca 0.24 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.50 1qba s PHE 279 Cb 0.18 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1qba s PHE 279 CO 0.43 0.21 -0.11 0.15 0.70 0.00 0.00 175.22 176.59 1qba s LYS 280 N -0.52 0.94 6.62 0.44 3.01 -1.26 -4.67 119.74 124.30 1qba s LYS 280 Ca 0.08 -1.23 0.00 0.00 -1.01 0.00 0.00 55.97 53.80 1qba s LYS 280 Cb -0.12 -0.68 0.00 0.00 -1.01 0.00 0.00 37.83 36.02 1qba s LYS 280 CO 0.02 0.11 0.00 0.41 0.51 0.00 0.00 175.35 176.40 1qba n GLY 281 N 0.43 3.67 0.44 -3.33 0.00 -1.26 -2.28 105.19 102.85 1qba n GLY 281 Ca -0.15 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1qba n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qba n ALA 282 N 12.13 2.62 1.00 4.61 0.00 -1.26 -2.51 120.51 137.10 1qba n ALA 282 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.13 1qba n ALA 282 Cb 0.00 -1.18 0.21 0.00 0.00 0.00 0.00 19.45 18.48 1qba n ALA 282 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qba n MET 283 N 0.05 0.00 -2.60 0.00 2.00 -0.97 -4.49 117.12 111.12 1qba n MET 283 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.46 1qba n MET 283 Cb 0.34 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.07 1qba n MET 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qba n ALA 284 N -1.50 5.22 -2.62 3.04 0.00 -1.04 -4.70 120.51 118.90 1qba n ALA 284 Ca 0.05 -4.48 -0.09 0.00 0.00 0.00 0.00 53.44 48.93 1qba n ALA 284 Cb 0.34 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 16.91 1qba n ALA 284 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qba s VAL 285 N -0.62 0.15 0.24 0.00 -7.23 -1.26 -4.91 120.40 106.76 1qba s VAL 285 Ca 0.37 -1.25 -0.31 0.00 -1.81 0.00 0.00 61.98 58.98 1qba s VAL 285 Cb 0.07 -0.88 -0.13 0.00 0.56 0.00 0.00 36.38 36.00 1qba s VAL 285 CO 0.04 -0.69 1.42 -0.24 -0.31 0.00 0.00 175.10 175.31 1qba n SER 286 N 0.83 2.79 0.00 4.85 2.88 -1.26 -1.98 113.62 121.73 1qba n SER 286 Ca -0.19 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1qba n SER 286 Cb 0.58 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1qba n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qba n GLY 287 N 2.19 0.79 3.78 0.46 0.00 -1.26 -4.73 105.19 106.42 1qba n GLY 287 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1qba n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qba s ALA 288 N -2.45 2.89 0.15 4.61 0.00 -0.84 -4.26 121.76 121.87 1qba s ALA 288 Ca 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1qba s ALA 288 Cb 0.00 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1qba s ALA 288 CO 0.00 -0.54 0.52 1.52 0.00 0.00 0.00 175.76 177.26 1qba s TYR 289 N -1.72 -0.39 -0.10 0.00 1.13 -0.55 -1.31 117.35 114.42 1qba s TYR 289 Ca 0.66 0.13 0.02 0.00 -1.41 0.00 0.00 57.07 56.47 1qba s TYR 289 Cb -0.24 0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 41.05 1qba s TYR 289 CO 0.28 -0.80 -0.18 -1.21 -2.51 0.00 0.00 175.55 171.13 1qba s GLU 290 N -3.78 3.03 -0.06 -3.49 2.02 -0.09 -1.21 118.70 115.12 1qba s GLU 290 Ca 0.02 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.28 1qba s GLU 290 Cb -0.00 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.80 1qba s GLU 290 CO -0.12 0.30 -0.15 -1.17 0.02 0.00 0.00 175.26 174.14 1qba s LEU 291 N 0.08 1.80 -0.17 1.80 2.96 -0.28 -0.91 118.68 123.95 1qba s LEU 291 Ca -0.08 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1qba s LEU 291 Cb -0.15 -0.95 0.05 0.00 0.50 0.00 0.00 46.19 45.64 1qba s LEU 291 CO 0.05 0.09 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.42 1qba s LYS 292 N 0.41 0.95 -0.32 1.98 2.20 -0.41 -0.73 119.74 123.81 1qba s LYS 292 Ca -0.12 -0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1qba s LYS 292 Cb -0.15 -1.98 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 1qba s LYS 292 CO 0.04 -0.54 0.08 0.42 -0.36 0.00 0.00 175.35 175.00 1qba s ILE 293 N 1.77 3.72 0.45 5.43 1.01 0.22 -0.66 121.20 133.14 1qba s ILE 293 Ca -0.00 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 59.66 1qba s ILE 293 Cb -0.16 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1qba s ILE 293 CO -0.07 -0.10 0.31 -0.83 0.00 0.00 0.00 174.94 174.24 1qba s GLY 294 N 1.41 2.29 0.41 6.18 0.00 -0.29 -1.43 107.32 115.88 1qba s GLY 294 Ca -0.01 -1.77 0.09 0.00 0.00 0.00 0.00 44.72 43.03 1qba s GLY 294 CO 0.02 -1.85 1.97 1.70 0.00 0.00 0.00 173.10 174.95 1qba h LYS 295 N 1.09 0.29 0.00 2.90 1.63 -1.94 -3.29 116.57 117.26 1qba h LYS 295 Ca -0.41 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1qba h LYS 295 Cb 1.27 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1qba h LYS 295 CO 0.62 0.34 -1.60 1.63 -3.45 0.00 0.00 179.45 176.99 1qba n LYS 296 N -4.35 0.51 -3.48 1.90 5.02 -1.26 -4.62 118.16 111.88 1qba n LYS 296 Ca -0.00 -0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.07 1qba n LYS 296 Cb 0.20 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1qba n LYS 296 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1qba s GLU 297 N -2.94 1.00 0.18 1.97 -1.05 -1.24 -4.30 118.70 112.32 1qba s GLU 297 Ca -0.05 -0.37 0.11 0.00 -0.15 0.00 0.00 54.97 54.51 1qba s GLU 297 Cb 0.09 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 1qba s GLU 297 CO 0.58 -0.44 -0.22 0.00 0.95 0.00 0.00 175.26 176.13 1qba s ALA 298 N -3.36 2.37 -0.03 -0.84 0.00 0.55 -1.13 121.76 119.32 1qba s ALA 298 Ca 0.04 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.40 1qba s ALA 298 Cb -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1qba s ALA 298 CO -0.10 0.37 0.01 -1.14 0.00 0.00 0.00 175.76 174.90 1qba s GLN 299 N -2.69 0.29 -0.19 0.00 0.74 0.16 -0.45 119.66 117.52 1qba s GLN 299 Ca 0.19 0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.69 1qba s GLN 299 Cb -0.07 -0.53 -0.01 0.00 1.10 0.00 0.00 33.01 33.50 1qba s GLN 299 CO 0.09 -0.17 -0.07 0.08 -0.55 0.00 0.00 175.29 174.66 1qba s VAL 300 N 1.24 3.28 -0.30 1.34 1.01 0.10 -1.29 120.40 125.78 1qba s VAL 300 Ca -0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1qba s VAL 300 Cb -0.13 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1qba s VAL 300 CO -0.02 0.46 0.00 -0.63 0.00 0.00 0.00 175.10 174.91 1qba s ILE 301 N 1.08 3.01 0.24 2.22 1.01 -0.09 -1.40 121.20 127.27 1qba s ILE 301 Ca 0.01 -1.37 0.01 0.00 0.00 0.00 0.00 60.65 59.30 1qba s ILE 301 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1qba s ILE 301 CO -0.01 -0.11 0.41 -0.83 0.00 0.00 0.00 174.94 174.41 1qba s GLY 302 N 1.26 1.52 0.26 6.18 0.00 0.89 -0.91 107.32 116.52 1qba s GLY 302 Ca -0.05 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1qba s GLY 302 CO -0.01 -0.95 1.65 -2.75 0.00 0.00 0.00 173.10 171.05 1qba h PHE 303 N 1.48 0.48 -3.18 1.90 3.57 -1.47 -1.22 116.94 118.50 1qba h PHE 303 Ca -0.50 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 60.74 1qba h PHE 303 Cb 1.21 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1qba h PHE 303 CO 0.51 0.75 0.03 -0.40 -2.23 0.00 0.00 178.31 176.97 1qba n ASP 304 N -4.03 -1.32 -0.35 0.41 5.75 -1.26 -3.87 116.55 111.87 1qba n ASP 304 Ca -0.01 -2.32 -0.01 0.00 -0.01 0.00 0.00 54.79 52.43 1qba n ASP 304 Cb 0.49 2.32 0.13 0.00 -1.03 0.00 0.00 41.12 43.04 1qba n ASP 304 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1qba h GLN 305 N 0.00 1.27 -0.63 0.11 4.20 -1.92 -1.17 115.11 116.97 1qba h GLN 305 Ca -0.22 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.44 1qba h GLN 305 Cb 0.91 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1qba h GLN 305 CO 0.29 0.84 0.38 0.00 -0.67 0.00 0.00 178.83 179.68 1qba h ALA 306 N 1.40 0.82 -0.53 3.87 0.00 -1.96 -0.15 119.26 122.70 1qba h ALA 306 Ca 0.36 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1qba h ALA 306 Cb -0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1qba h ALA 306 CO -0.08 0.12 0.32 0.78 0.00 0.00 0.00 179.25 180.39 1qba h GLY 307 N 0.75 0.76 0.85 0.00 0.00 -1.57 0.14 103.07 104.00 1qba h GLY 307 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1qba h GLY 307 CO -0.11 0.20 0.04 -2.08 0.00 0.00 0.00 176.54 174.59 1qba h VAL 308 N 0.63 1.16 -0.65 4.60 2.07 -0.83 -1.94 116.25 121.29 1qba h VAL 308 Ca 0.22 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1qba h VAL 308 Cb 0.03 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1qba h VAL 308 CO -0.10 0.15 0.28 0.15 0.02 0.00 0.00 177.57 178.07 1qba h PHE 309 N 0.02 0.50 -0.49 1.57 3.57 -0.70 -2.04 116.94 119.37 1qba h PHE 309 Ca 0.04 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1qba h PHE 309 Cb 0.19 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1qba h PHE 309 CO -0.01 0.16 -0.09 1.88 -2.23 0.00 0.00 178.31 178.03 1qba h TYR 310 N 0.50 0.98 -0.53 0.41 0.05 -0.68 -1.66 116.97 116.05 1qba h TYR 310 Ca 0.32 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 1qba h TYR 310 Cb 0.37 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1qba h TYR 310 CO -0.14 0.93 0.13 0.78 -1.05 0.00 0.00 178.16 178.81 1qba h GLY 311 N 0.97 0.86 1.13 3.88 0.00 -0.92 -0.85 103.07 108.15 1qba h GLY 311 Ca 0.14 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1qba h GLY 311 CO 0.04 0.46 -0.19 1.41 0.00 0.00 0.00 176.54 178.25 1qba h LEU 312 N 0.77 1.02 -1.45 3.11 3.38 -1.07 -2.62 115.31 118.45 1qba h LEU 312 Ca 0.17 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1qba h LEU 312 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1qba h LEU 312 CO -0.00 1.17 -0.16 1.56 0.09 0.00 0.00 178.44 181.10 1qba h GLN 313 N 0.87 0.16 -0.65 1.13 1.08 -0.90 -1.44 115.11 115.35 1qba h GLN 313 Ca 0.12 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1qba h GLN 313 Cb 0.77 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 1qba h GLN 313 CO 0.06 0.33 0.17 0.77 -0.95 0.00 0.00 178.83 179.20 1qba h SER 314 N 0.15 0.98 -0.35 1.46 0.02 -0.93 0.13 113.55 115.01 1qba h SER 314 Ca 0.03 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 1qba h SER 314 Cb 0.38 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1qba h SER 314 CO 0.02 0.96 0.01 0.40 -1.14 0.00 0.00 176.83 177.08 1qba h ILE 315 N 0.96 1.26 -0.19 3.27 2.04 -1.09 -2.66 117.51 121.11 1qba h ILE 315 Ca 0.21 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1qba h ILE 315 Cb 0.35 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1qba h ILE 315 CO 0.00 0.32 0.05 -0.07 0.00 0.00 0.00 178.15 178.45 1qba h LEU 316 N 0.43 0.24 -1.46 1.44 3.38 -0.92 -1.52 115.31 116.90 1qba h LEU 316 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1qba h LEU 316 Cb 0.45 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1qba h LEU 316 CO 0.02 0.25 -0.27 0.77 0.09 0.00 0.00 178.44 179.29 1qba h SER 317 N 0.27 0.00 1.20 -0.43 4.64 -0.40 -2.82 113.55 116.01 1qba h SER 317 Ca 0.07 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 1qba h SER 317 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1qba h SER 317 CO -0.00 0.27 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.66 1qba h LEU 318 N 0.00 0.00 -9.34 5.97 3.38 -1.06 -3.46 115.31 110.81 1qba h LEU 318 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1qba h LEU 318 Cb 0.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1qba h LEU 318 CO 0.04 0.49 0.96 0.52 0.09 0.00 0.00 178.44 180.54 1qba n VAL 319 N -3.35 0.35 -1.76 1.22 0.31 -1.07 -4.83 118.33 109.20 1qba n VAL 319 Ca 0.01 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 63.97 1qba n VAL 319 Cb 0.66 -1.66 0.04 0.00 -0.91 0.00 0.00 33.84 31.96 1qba n VAL 319 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qba s PRO 320 N 2.87 3.14 -0.04 5.55 0.04 -1.26 -4.99 135.00 140.31 1qba s PRO 320 Ca 0.88 0.74 0.20 0.00 0.04 0.00 0.00 61.00 62.86 1qba s PRO 320 Cb -0.73 -2.03 0.64 0.00 0.04 0.00 0.00 34.50 32.42 1qba s PRO 320 CO 0.48 -0.90 1.54 0.43 0.04 0.00 0.00 177.00 178.59 1qba n SER 321 N -2.97 4.14 -1.15 6.66 7.64 -1.26 -4.29 113.62 122.39 1qba n SER 321 Ca 0.07 -2.17 0.12 0.00 1.01 0.00 0.00 58.87 57.90 1qba n SER 321 Cb 0.55 -0.50 0.21 0.00 -1.01 0.00 0.00 64.21 63.46 1qba n SER 321 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1qba n ASP 322 N 1.33 3.44 0.00 6.43 5.68 -1.26 -4.98 116.55 127.19 1qba n ASP 322 Ca 0.24 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1qba n ASP 322 Cb 0.70 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1qba n ASP 322 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qba n GLY 323 N 1.50 2.23 0.19 6.12 0.00 -1.26 -4.91 105.19 109.06 1qba n GLY 323 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1qba n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qba h SER 324 N 0.00 0.00 -1.73 1.61 4.64 -1.94 -3.47 113.55 112.66 1qba h SER 324 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1qba h SER 324 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1qba h SER 324 CO 0.00 0.00 -0.20 0.61 -0.87 0.00 0.00 176.83 176.37 1qba n GLY 325 N -0.56 0.86 3.59 -0.77 0.00 -1.26 -4.79 105.19 102.26 1qba n GLY 325 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qba n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qba s LYS 326 N -3.09 2.87 0.13 1.61 -0.14 -1.26 -0.14 119.74 119.73 1qba s LYS 326 Ca 0.00 -0.53 0.05 0.00 -1.36 0.00 0.00 55.97 54.14 1qba s LYS 326 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1qba s LYS 326 CO 0.00 0.63 -0.12 0.96 -0.76 0.00 0.00 175.35 176.05 1qba s ILE 327 N -0.70 1.25 0.30 2.17 -4.36 -0.75 -4.60 121.20 114.51 1qba s ILE 327 Ca 0.11 -1.85 -0.29 0.00 -0.26 0.00 0.00 60.65 58.36 1qba s ILE 327 Cb -0.11 -1.64 -0.10 0.00 1.25 0.00 0.00 42.46 41.86 1qba s ILE 327 CO 0.02 -0.56 1.17 0.00 0.24 0.00 0.00 174.94 175.81 1qba s ALA 328 N -2.62 3.43 0.39 2.27 0.00 -1.26 0.33 121.76 124.30 1qba s ALA 328 Ca 0.12 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 1qba s ALA 328 Cb -0.02 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1qba s ALA 328 CO 0.02 -0.32 1.06 0.95 0.00 0.00 0.00 175.76 177.47 1qba s THR 329 N -1.16 3.69 0.02 0.00 -4.23 -0.01 -4.77 115.64 109.18 1qba s THR 329 Ca 0.46 1.32 -0.29 0.00 -1.18 0.00 0.00 61.69 62.00 1qba s THR 329 Cb -0.34 -3.69 0.10 0.00 1.34 0.00 0.00 72.50 69.90 1qba s THR 329 CO 0.45 0.03 1.09 -1.48 -0.54 0.00 0.00 174.62 174.17 1qba s LEU 330 N -2.57 -0.17 -0.12 4.79 0.05 -0.52 -0.72 118.68 119.43 1qba s LEU 330 Ca 0.57 -0.19 0.01 0.00 0.05 0.00 0.00 54.13 54.57 1qba s LEU 330 Cb -0.23 1.78 0.02 0.00 -2.05 0.00 0.00 46.19 45.71 1qba s LEU 330 CO 0.29 -0.57 -0.15 -1.81 -0.55 0.00 0.00 176.35 173.56 1qba s ASP 331 N -2.77 2.50 0.07 1.48 1.01 -0.39 -0.61 116.67 117.97 1qba s ASP 331 Ca 0.11 -0.44 0.03 0.00 0.71 0.00 0.00 52.55 52.96 1qba s ASP 331 Cb 0.01 -1.11 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 1qba s ASP 331 CO -0.03 -0.01 -0.09 0.00 0.21 0.00 0.00 175.17 175.25 1qba s ALA 332 N 1.13 0.92 -0.04 5.23 0.00 0.09 -0.11 121.76 128.98 1qba s ALA 332 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1qba s ALA 332 Cb -0.14 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1qba s ALA 332 CO -0.04 -0.03 -0.04 -1.54 0.00 0.00 0.00 175.76 174.11 1qba s SER 333 N -2.12 0.90 0.04 0.00 1.04 -0.55 -1.13 113.70 111.88 1qba s SER 333 Ca -0.00 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 1qba s SER 333 Cb -0.05 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 1qba s SER 333 CO -0.00 -0.06 0.13 -0.62 0.98 0.00 0.00 173.24 173.67 1qba s ASP 334 N 0.91 0.13 -0.13 7.02 2.15 -0.35 -1.85 116.67 124.56 1qba s ASP 334 Ca -0.11 -0.49 -0.30 0.00 0.43 0.00 0.00 52.55 52.07 1qba s ASP 334 Cb -0.14 0.25 0.11 0.00 -0.30 0.00 0.00 42.92 42.84 1qba s ASP 334 CO 0.00 -0.54 0.90 0.00 -0.17 0.00 0.00 175.17 175.37 1qba s ALA 335 N -2.67 -1.88 0.39 3.66 0.00 -1.26 -1.48 121.76 118.52 1qba s ALA 335 Ca -0.04 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.18 1qba s ALA 335 Cb -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1qba s ALA 335 CO -0.05 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 175.24 1qba s PRO 336 N -1.11 4.13 0.31 0.00 0.04 -1.26 -4.76 135.00 132.36 1qba s PRO 336 Ca -0.04 1.68 0.13 0.00 0.04 0.00 0.00 61.00 62.81 1qba s PRO 336 Cb -0.00 -2.64 0.49 0.00 0.04 0.00 0.00 34.50 32.39 1qba s PRO 336 CO 0.04 -0.21 1.67 0.07 0.04 0.00 0.00 177.00 178.61 1qba h ARG 337 N 2.63 0.00 -5.08 4.56 0.11 -1.32 -3.44 114.38 111.83 1qba h ARG 337 Ca -0.48 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.18 1qba h ARG 337 Cb 1.22 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 32.05 1qba h ARG 337 CO 0.63 0.52 -0.78 -0.06 0.10 0.00 0.00 179.97 180.37 1qba s PHE 338 N -3.65 1.06 -0.03 4.08 0.08 -1.25 -5.04 117.98 113.23 1qba s PHE 338 Ca -0.01 -0.31 0.25 0.00 0.12 0.00 0.00 56.93 56.98 1qba s PHE 338 Cb 0.12 -0.64 0.81 0.00 -0.57 0.00 0.00 43.02 42.74 1qba s PHE 338 CO 0.73 0.01 1.77 -1.00 -0.10 0.00 0.00 175.22 176.63 1qba h PRO 339 N 5.18 0.00 -4.76 0.24 0.13 -1.86 -3.42 132.00 127.50 1qba h PRO 339 Ca -0.36 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.10 1qba h PRO 339 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 1qba h PRO 339 CO 0.45 0.16 -0.72 -0.47 -0.23 0.00 0.00 178.00 177.19 1qba s TYR 340 N -3.47 3.35 -0.40 1.56 6.14 -1.24 -4.97 117.35 118.32 1qba s TYR 340 Ca 0.02 -2.18 0.02 0.00 0.64 0.00 0.00 57.07 55.57 1qba s TYR 340 Cb 0.08 -2.25 0.12 0.00 0.42 0.00 0.00 41.96 40.34 1qba s TYR 340 CO 0.63 -0.86 0.18 1.03 0.64 0.00 0.00 175.55 177.18 1qba s ARG 341 N 1.16 1.24 0.19 4.97 0.52 -1.26 -1.76 118.95 124.00 1qba s ARG 341 Ca -0.03 -1.83 0.07 0.00 -0.52 0.00 0.00 55.73 53.42 1qba s ARG 341 Cb -0.20 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1qba s ARG 341 CO -0.03 -1.09 0.06 0.20 0.02 0.00 0.00 175.30 174.46 1qba s GLY 342 N 0.66 1.68 -0.09 -3.53 0.00 0.11 -1.37 107.32 104.78 1qba s GLY 342 Ca 0.15 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.54 1qba s GLY 342 CO -0.07 -1.37 -0.15 -0.42 0.00 0.00 0.00 173.10 171.09 1qba s ILE 343 N -1.83 1.41 -0.13 0.90 -1.09 -0.51 -2.01 121.20 117.94 1qba s ILE 343 Ca 0.29 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 58.06 1qba s ILE 343 Cb -0.09 -1.28 -0.03 0.00 -1.58 0.00 0.00 42.46 39.48 1qba s ILE 343 CO 0.21 0.42 0.02 0.12 -1.23 0.00 0.00 174.94 174.47 1qba s PHE 344 N 0.78 3.18 -0.09 3.97 2.19 0.04 -1.39 117.98 126.65 1qba s PHE 344 Ca -0.11 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.22 1qba s PHE 344 Cb -0.16 -1.91 0.02 0.00 -1.31 0.00 0.00 43.02 39.66 1qba s PHE 344 CO 0.02 0.29 -0.08 -1.17 1.83 0.00 0.00 175.22 176.11 1qba s LEU 345 N -0.28 1.25 -0.40 6.12 2.96 -0.64 -0.71 118.68 126.98 1qba s LEU 345 Ca 0.07 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.48 1qba s LEU 345 Cb -0.12 -0.78 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1qba s LEU 345 CO 0.02 -0.09 0.77 -0.62 -1.32 0.00 0.00 176.35 175.12 1qba s ASP 346 N 1.43 6.49 0.00 3.68 2.15 -0.48 -1.48 116.67 128.46 1qba s ASP 346 Ca -0.01 0.16 0.13 0.00 0.43 0.00 0.00 52.55 53.27 1qba s ASP 346 Cb -0.13 -2.39 0.14 0.00 -0.30 0.00 0.00 42.92 40.24 1qba s ASP 346 CO -0.05 -0.79 0.97 1.33 -0.17 0.00 0.00 175.17 176.46 1qba n VAL 347 N 5.91 0.13 -0.03 1.11 0.24 -1.04 -4.44 118.33 120.22 1qba n VAL 347 Ca 0.02 -0.56 -0.19 0.00 -2.04 0.00 0.00 64.34 61.57 1qba n VAL 347 Cb 0.48 1.18 -0.13 0.00 -1.47 0.00 0.00 33.84 33.90 1qba n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qba h ALA 348 N 2.61 0.07 -0.36 2.33 0.00 -1.84 -3.19 119.26 118.88 1qba h ALA 348 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1qba h ALA 348 Cb 0.59 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1qba h ALA 348 CO 0.00 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.91 1qba h ARG 349 N -0.66 0.49 -3.43 0.00 -0.00 -1.89 -3.27 114.38 105.63 1qba h ARG 349 Ca -0.18 -0.04 -0.22 0.00 -0.50 0.00 0.00 59.98 59.04 1qba h ARG 349 Cb 1.41 -0.10 -0.29 0.00 0.00 0.00 0.00 29.97 30.99 1qba h ARG 349 CO 0.01 0.37 -0.60 -0.80 0.00 0.00 0.00 179.97 178.95 1qba s ASN 350 N -5.60 -0.10 0.46 7.04 0.01 -1.26 -4.90 114.94 110.60 1qba s ASN 350 Ca -0.13 0.22 -0.21 0.00 -0.71 0.00 0.00 52.86 52.03 1qba s ASN 350 Cb 0.10 0.19 -0.09 0.00 0.41 0.00 0.00 41.25 41.86 1qba s ASN 350 CO 0.72 -0.07 1.03 0.12 -1.51 0.00 0.00 177.10 177.40 1qba s PHE 351 N 0.38 3.10 -0.06 2.20 5.36 -1.21 -4.26 117.98 123.49 1qba s PHE 351 Ca -0.03 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.56 1qba s PHE 351 Cb -0.04 -3.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.59 1qba s PHE 351 CO -0.02 -0.70 -0.12 -1.01 -1.46 0.00 0.00 175.22 171.91 1qba s HIS 352 N -1.92 1.43 0.74 10.12 3.76 -1.26 -4.82 115.29 123.34 1qba s HIS 352 Ca 0.64 -0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 54.91 1qba s HIS 352 Cb -0.17 -1.05 0.04 0.00 1.11 0.00 0.00 32.58 32.52 1qba s HIS 352 CO 0.21 -0.26 1.12 0.15 -0.85 0.00 0.00 174.74 175.11 1qba s LYS 353 N 0.63 2.30 0.27 1.40 -0.14 -1.26 -4.81 119.74 118.12 1qba s LYS 353 Ca -0.14 1.37 -0.01 0.00 -1.36 0.00 0.00 55.97 55.83 1qba s LYS 353 Cb -0.15 -1.89 0.51 0.00 -1.68 0.00 0.00 37.83 34.61 1qba s LYS 353 CO 0.03 -1.64 1.80 -0.22 -0.76 0.00 0.00 175.35 174.57 1qba h LYS 354 N -0.68 0.78 -0.70 1.68 3.64 -1.99 -0.21 116.57 119.09 1qba h LYS 354 Ca -0.45 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1qba h LYS 354 Cb 1.25 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1qba h LYS 354 CO 0.51 0.51 0.46 0.38 -2.27 0.00 0.00 179.45 179.05 1qba h ASP 355 N 0.80 0.81 -0.31 4.20 2.03 -1.99 -0.94 116.42 121.01 1qba h ASP 355 Ca 0.46 -0.02 -0.16 0.00 -0.73 0.00 0.00 57.03 56.58 1qba h ASP 355 Cb 0.52 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1qba h ASP 355 CO -0.30 0.59 -0.42 0.00 -1.03 0.00 0.00 179.24 178.08 1qba h ALA 356 N 1.56 0.47 -0.68 4.15 0.00 -1.42 -2.09 119.26 121.25 1qba h ALA 356 Ca 0.26 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1qba h ALA 356 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1qba h ALA 356 CO -0.05 0.59 0.44 0.28 0.00 0.00 0.00 179.25 180.51 1qba h VAL 357 N 0.61 1.15 -0.39 0.00 2.07 -0.89 -2.16 116.25 116.64 1qba h VAL 357 Ca 0.04 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1qba h VAL 357 Cb 1.01 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1qba h VAL 357 CO 0.10 0.16 0.17 -0.07 0.02 0.00 0.00 177.57 177.95 1qba h LEU 358 N 0.89 0.53 -0.99 2.57 3.38 -1.06 -1.80 115.31 118.83 1qba h LEU 358 Ca 0.26 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1qba h LEU 358 Cb -0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 1qba h LEU 358 CO -0.07 0.53 0.63 0.03 0.09 0.00 0.00 178.44 179.65 1qba h ARG 359 N 0.49 1.06 -0.53 1.13 3.08 -1.19 -0.98 114.38 117.44 1qba h ARG 359 Ca 0.13 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1qba h ARG 359 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1qba h ARG 359 CO -0.01 0.70 0.20 1.25 -1.07 0.00 0.00 179.97 181.04 1qba h LEU 360 N 1.09 0.74 -1.00 3.04 5.85 -1.15 -2.51 115.31 121.37 1qba h LEU 360 Ca 0.45 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1qba h LEU 360 Cb 0.29 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1qba h LEU 360 CO -0.21 0.71 0.01 -0.07 -0.34 0.00 0.00 178.44 178.54 1qba h LEU 361 N 0.72 0.70 0.01 2.25 3.38 -0.60 -0.74 115.31 121.02 1qba h LEU 361 Ca 0.18 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qba h LEU 361 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1qba h LEU 361 CO -0.01 0.76 -0.08 0.44 0.09 0.00 0.00 178.44 179.64 1qba h ASP 362 N 0.69 -0.22 -0.54 -0.43 3.32 -1.03 -2.04 116.42 116.17 1qba h ASP 362 Ca 0.14 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1qba h ASP 362 Cb 0.41 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1qba h ASP 362 CO 0.02 -0.12 0.05 1.56 -1.72 0.00 0.00 179.24 179.03 1qba h GLN 363 N -0.14 0.96 -0.43 3.56 1.08 -1.19 -1.98 115.11 116.97 1qba h GLN 363 Ca 0.03 -0.26 0.06 0.00 -1.45 0.00 0.00 58.65 57.02 1qba h GLN 363 Cb 0.17 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 1qba h GLN 363 CO -0.07 0.92 0.14 0.52 -0.95 0.00 0.00 178.83 179.38 1qba h MET 364 N 0.89 0.29 -0.60 1.46 2.86 -0.98 -2.60 114.93 116.26 1qba h MET 364 Ca 0.17 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1qba h MET 364 Cb 0.46 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1qba h MET 364 CO 0.02 0.19 0.07 0.00 1.06 0.00 0.00 176.91 178.25 1qba h ALA 365 N 1.29 1.00 -0.13 6.32 0.00 -1.07 0.73 119.26 127.40 1qba h ALA 365 Ca 0.20 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1qba h ALA 365 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qba h ALA 365 CO -0.22 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.75 1qba h ALA 366 N 1.15 2.11 -0.15 0.00 0.00 -1.03 -2.71 119.26 118.63 1qba h ALA 366 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qba h ALA 366 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qba h ALA 366 CO 0.01 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 179.76 1qba n TYR 367 N -4.48 0.42 -1.59 0.00 4.01 -0.95 -4.87 117.16 109.70 1qba n TYR 367 Ca 0.00 -0.79 -0.11 0.00 -0.16 0.00 0.00 57.90 56.84 1qba n TYR 367 Cb 0.22 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1qba n TYR 367 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1qba n LYS 368 N -0.62 -0.78 -2.70 -0.72 5.02 -0.49 -4.63 118.16 113.24 1qba n LYS 368 Ca 0.15 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 1qba n LYS 368 Cb 0.63 -4.77 -0.05 0.00 -0.02 0.00 0.00 35.03 30.83 1qba n LYS 368 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qba s LEU 369 N -2.65 4.56 0.00 -0.35 1.43 0.13 -4.95 118.68 116.85 1qba s LEU 369 Ca 0.00 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1qba s LEU 369 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1qba s LEU 369 CO 0.00 0.00 0.48 -0.46 0.23 0.00 0.00 176.35 176.60 1qba n ASN 370 N 2.16 0.88 -3.92 2.29 6.94 -0.47 -4.26 115.26 118.87 1qba n ASN 370 Ca 0.01 -1.18 -0.25 0.00 -0.02 0.00 0.00 54.58 53.13 1qba n ASN 370 Cb 0.48 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.73 1qba n ASN 370 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1qba s LYS 371 N -0.18 1.42 -0.36 -3.83 -0.14 -0.94 -1.48 119.74 114.22 1qba s LYS 371 Ca 0.00 -0.25 -0.02 0.00 -1.36 0.00 0.00 55.97 54.34 1qba s LYS 371 Cb 0.00 -1.41 0.08 0.00 -1.68 0.00 0.00 37.83 34.82 1qba s LYS 371 CO 0.00 -0.18 0.11 0.12 -0.76 0.00 0.00 175.35 174.65 1qba s PHE 372 N 1.39 3.45 -0.52 3.18 5.36 -0.28 -1.42 117.98 129.14 1qba s PHE 372 Ca -0.02 -2.16 -0.21 0.00 -0.96 0.00 0.00 56.93 53.58 1qba s PHE 372 Cb -0.13 -2.72 0.05 0.00 -0.34 0.00 0.00 43.02 39.87 1qba s PHE 372 CO -0.04 -0.89 0.76 -1.58 -1.46 0.00 0.00 175.22 172.01 1qba s HIS 373 N 1.19 2.94 -0.48 10.12 5.65 -0.49 -0.76 115.29 133.48 1qba s HIS 373 Ca 0.03 -0.26 -0.13 0.00 0.25 0.00 0.00 55.06 54.94 1qba s HIS 373 Cb -0.21 -3.75 0.10 0.00 -1.18 0.00 0.00 32.58 27.54 1qba s HIS 373 CO -0.03 -1.15 0.39 0.12 -0.65 0.00 0.00 174.74 173.42 1qba s PHE 374 N 3.21 3.29 -0.93 3.88 5.36 0.33 -1.62 117.98 131.51 1qba s PHE 374 Ca 0.23 -1.29 -0.20 0.00 -0.96 0.00 0.00 56.93 54.71 1qba s PHE 374 Cb -0.16 -3.35 0.11 0.00 -0.34 0.00 0.00 43.02 39.29 1qba s PHE 374 CO 0.16 -0.90 1.19 -1.58 -1.46 0.00 0.00 175.22 172.63 1qba s HIS 375 N 1.55 2.96 -0.80 10.12 5.65 -0.55 -1.31 115.29 132.90 1qba s HIS 375 Ca 0.04 -1.21 0.26 0.00 0.25 0.00 0.00 55.06 54.39 1qba s HIS 375 Cb -0.26 -4.37 0.63 0.00 -1.18 0.00 0.00 32.58 27.40 1qba s HIS 375 CO 0.04 -1.60 1.54 1.28 -0.65 0.00 0.00 174.74 175.35 1qba n LEU 376 N 7.13 0.56 -3.77 8.88 4.77 -1.06 -2.48 117.00 131.04 1qba n LEU 376 Ca 0.24 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1qba n LEU 376 Cb 0.49 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1qba n LEU 376 CO 0.55 -0.03 0.01 -0.94 -1.33 0.00 0.00 177.39 175.64 1qba s SER 377 N -3.81 -0.14 0.00 -1.43 1.04 -1.25 -1.07 113.70 107.03 1qba s SER 377 Ca 0.10 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1qba s SER 377 Cb 0.15 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1qba s SER 377 CO 0.66 -0.51 0.00 -0.67 0.98 0.00 0.00 173.24 173.69 1qba n ASP 378 N 0.98 0.00 -0.10 7.02 -0.08 -0.75 -4.35 116.55 119.27 1qba n ASP 378 Ca -0.20 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.03 1qba n ASP 378 Cb 0.57 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.20 1qba n ASP 378 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1qba h ASP 379 N 0.00 0.73 -0.36 1.67 3.32 -1.91 -3.05 116.42 116.83 1qba h ASP 379 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1qba h ASP 379 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1qba h ASP 379 CO 0.00 0.81 0.00 -0.62 -1.72 0.00 0.00 179.24 177.71 1qba n GLU 380 N -4.21 2.36 -3.65 3.56 4.71 -1.26 -2.44 120.64 119.71 1qba n GLU 380 Ca 0.02 -2.17 -0.01 0.00 -0.01 0.00 0.00 57.16 54.99 1qba n GLU 380 Cb 0.31 -1.46 -0.04 0.00 -1.01 0.00 0.00 31.44 29.24 1qba n GLU 380 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1qba s GLY 381 N -1.35 0.06 -0.13 0.62 0.00 -1.23 -4.85 107.32 100.44 1qba s GLY 381 Ca 0.35 2.73 -0.00 0.00 0.00 0.00 0.00 44.72 47.80 1qba s GLY 381 CO 0.28 1.04 -0.09 0.86 0.00 0.00 0.00 173.10 175.18 1qba s TRP 382 N -1.18 1.69 -0.41 1.90 -0.11 -0.15 -1.81 118.94 118.86 1qba s TRP 382 Ca 0.10 -0.90 0.10 0.00 1.22 0.00 0.00 56.10 56.63 1qba s TRP 382 Cb -0.01 -1.34 0.27 0.00 -1.50 0.00 0.00 33.47 30.90 1qba s TRP 382 CO -0.08 -0.56 1.21 0.54 -4.62 0.00 0.00 176.95 173.44 1qba n ARG 383 N 4.89 2.70 -3.99 5.86 5.12 -0.23 -3.54 116.66 127.47 1qba n ARG 383 Ca -0.14 -2.16 -0.25 0.00 -1.93 0.00 0.00 57.85 53.38 1qba n ARG 383 Cb 0.50 -1.36 -0.17 0.00 -1.16 0.00 0.00 32.46 30.27 1qba n ARG 383 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1qba s ILE 384 N -1.66 0.86 0.11 0.55 1.10 -1.26 -0.86 121.20 120.02 1qba s ILE 384 Ca 0.23 -0.21 -0.31 0.00 -0.51 0.00 0.00 60.65 59.84 1qba s ILE 384 Cb 0.16 -0.89 -0.09 0.00 0.15 0.00 0.00 42.46 41.79 1qba s ILE 384 CO 0.08 0.33 1.70 -0.70 -2.11 0.00 0.00 174.94 174.25 1qba s GLU 385 N 1.54 4.18 -0.26 3.50 2.12 -0.65 -4.75 118.70 124.38 1qba s GLU 385 Ca 0.01 2.44 0.02 0.00 0.36 0.00 0.00 54.97 57.79 1qba s GLU 385 Cb -0.13 -3.52 0.05 0.00 0.26 0.00 0.00 34.13 30.80 1qba s GLU 385 CO -0.05 -0.76 -0.09 0.42 -0.54 0.00 0.00 175.26 174.24 1qba s ILE 386 N 2.41 2.36 -0.01 -3.70 -1.09 -1.26 -4.62 121.20 115.30 1qba s ILE 386 Ca 0.76 -1.51 -0.36 0.00 -2.23 0.00 0.00 60.65 57.30 1qba s ILE 386 Cb -0.43 -2.35 -0.15 0.00 -1.58 0.00 0.00 42.46 37.95 1qba s ILE 386 CO 0.33 0.00 1.59 -2.65 -1.23 0.00 0.00 174.94 172.99 1qba n PRO 387 N 4.49 1.60 -0.04 2.79 -0.02 -1.26 -1.17 135.00 141.40 1qba n PRO 387 Ca -0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1qba n PRO 387 Cb 0.43 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1qba n PRO 387 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qba n GLY 388 N 3.46 1.28 2.39 -1.23 0.00 -1.26 -4.92 105.19 104.90 1qba n GLY 388 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1qba n GLY 388 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qba n LEU 389 N 0.00 1.81 -0.19 0.99 4.77 -0.31 -4.97 117.00 119.11 1qba n LEU 389 Ca 0.00 -5.16 0.05 0.00 -0.03 0.00 0.00 56.01 50.87 1qba n LEU 389 Cb 0.00 0.32 0.33 0.00 -2.33 0.00 0.00 43.42 41.73 1qba n LEU 389 CO 0.00 2.26 1.22 1.55 -1.33 0.00 0.00 177.39 181.09 1qba h PRO 390 N 3.20 0.79 -0.29 3.23 0.13 -1.92 -2.55 132.00 134.59 1qba h PRO 390 Ca 0.11 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.28 1qba h PRO 390 Cb 0.82 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1qba h PRO 390 CO 0.59 0.52 0.26 0.93 -0.23 0.00 0.00 178.00 180.08 1qba h GLU 391 N 0.81 0.00 -0.94 0.86 3.07 -1.93 -0.80 114.58 115.66 1qba h GLU 391 Ca 0.30 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.20 1qba h GLU 391 Cb 0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.01 1qba h GLU 391 CO -0.09 0.00 0.61 -0.07 -1.40 0.00 0.00 179.01 178.05 1qba h LEU 392 N 0.00 1.00 0.04 1.33 3.38 -1.76 -1.25 115.31 118.05 1qba h LEU 392 Ca 0.14 -0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.75 1qba h LEU 392 Cb 0.66 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1qba h LEU 392 CO -0.00 0.67 -2.13 0.35 0.09 0.00 0.00 178.44 177.42 1qba n THR 393 N -4.51 1.59 -0.25 0.22 -2.24 -0.97 -1.74 114.28 106.39 1qba n THR 393 Ca 0.13 -0.71 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 1qba n THR 393 Cb 0.12 -1.24 0.04 0.00 -2.10 0.00 0.00 70.33 67.15 1qba n THR 393 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qba h GLU 394 N 0.02 1.12 0.00 -0.78 5.08 -1.14 -1.86 114.58 117.02 1qba h GLU 394 Ca -0.46 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 57.56 1qba h GLU 394 Cb 2.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1qba h GLU 394 CO 0.03 1.01 -1.11 0.28 -1.00 0.00 0.00 179.01 178.21 1qba n VAL 395 N -4.23 1.46 0.30 3.13 0.31 -0.49 -4.64 118.33 114.17 1qba n VAL 395 Ca 0.05 0.09 0.16 0.00 -0.01 0.00 0.00 64.34 64.63 1qba n VAL 395 Cb 0.28 -2.22 0.94 0.00 -0.91 0.00 0.00 33.84 31.93 1qba n VAL 395 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1qba h GLY 396 N -0.90 0.00 0.66 2.92 0.00 -1.08 -2.62 103.07 102.04 1qba h GLY 396 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1qba h GLY 396 CO -0.05 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.07 1qba n GLY 397 N -1.28 -0.76 3.15 4.60 0.00 -0.70 -0.98 105.19 109.23 1qba n GLY 397 Ca -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 1qba n GLY 397 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qba s GLN 398 N -2.13 0.56 -0.00 1.61 -2.07 -0.99 -1.26 119.66 115.37 1qba s GLN 398 Ca 0.40 -0.40 0.07 0.00 -1.82 0.00 0.00 55.36 53.62 1qba s GLN 398 Cb 0.21 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.34 1qba s GLN 398 CO 0.39 -0.14 -0.23 1.03 -1.32 0.00 0.00 175.29 175.01 1qba s ARG 399 N -1.57 2.11 0.07 9.60 0.52 0.59 -1.55 118.95 128.72 1qba s ARG 399 Ca -0.13 -0.93 -0.27 0.00 -0.52 0.00 0.00 55.73 53.87 1qba s ARG 399 Cb -0.06 -2.10 0.09 0.00 0.52 0.00 0.00 34.95 33.39 1qba s ARG 399 CO 0.01 0.56 0.95 0.00 0.02 0.00 0.00 175.30 176.84 1qba s HIS 401 N -3.15 2.33 -0.34 0.00 2.46 -0.01 -3.77 115.29 112.82 1qba s HIS 401 Ca 0.09 -0.49 -0.01 0.00 0.47 0.00 0.00 55.06 55.12 1qba s HIS 401 Cb -0.01 -4.45 0.12 0.00 -0.13 0.00 0.00 32.58 28.11 1qba s HIS 401 CO -0.03 -1.75 0.17 0.34 -2.47 0.00 0.00 174.74 170.99 1qba s ASP 402 N 5.74 3.45 0.56 9.88 2.15 -1.26 -5.01 116.67 132.19 1qba s ASP 402 Ca 0.57 -1.88 0.33 0.00 0.43 0.00 0.00 52.55 51.99 1qba s ASP 402 Cb -0.01 -0.57 1.67 0.00 -0.30 0.00 0.00 42.92 43.70 1qba s ASP 402 CO -0.00 -0.36 2.12 -0.07 -0.17 0.00 0.00 175.17 176.69 1qba h LEU 403 N 7.59 0.00 0.00 -1.34 3.38 -1.93 -1.29 115.31 121.72 1qba h LEU 403 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1qba h LEU 403 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1qba h LEU 403 CO 0.39 0.06 -0.03 0.77 0.09 0.00 0.00 178.44 179.72 1qba h SER 404 N 0.00 0.00 -6.67 -0.43 4.64 -1.95 -3.48 113.55 105.67 1qba h SER 404 Ca -0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 1qba h SER 404 Cb 0.30 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.27 1qba h SER 404 CO 0.01 0.01 -0.89 -0.62 -0.87 0.00 0.00 176.83 174.46 1qba n GLU 405 N -2.33 -2.79 -0.03 4.77 1.02 -0.49 -4.89 120.64 115.91 1qba n GLU 405 Ca 0.05 0.34 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 1qba n GLU 405 Cb 0.44 -4.47 -0.14 0.00 -0.02 0.00 0.00 31.44 27.25 1qba n GLU 405 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1qba n THR 406 N -4.43 0.71 0.00 2.62 5.66 -1.26 -4.61 114.28 112.97 1qba n THR 406 Ca -0.23 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.11 1qba n THR 406 Cb 0.65 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1qba n THR 406 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1qba n THR 407 N -2.56 0.00 -3.88 1.09 5.66 -1.26 -4.92 114.28 108.41 1qba n THR 407 Ca -0.15 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.76 1qba n THR 407 Cb 0.82 0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 69.83 1qba n THR 407 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qba s LEU 409 N -2.88 3.90 0.57 0.00 1.43 -0.59 -4.06 118.68 117.05 1qba s LEU 409 Ca 0.07 1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 54.36 1qba s LEU 409 Cb 0.05 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 1qba s LEU 409 CO -0.09 -0.35 1.34 0.18 0.23 0.00 0.00 176.35 177.66 1qba n LEU 410 N -0.85 5.65 -4.75 1.79 4.77 -1.26 -1.30 117.00 121.05 1qba n LEU 410 Ca 0.05 0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 56.56 1qba n LEU 410 Cb 0.54 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.07 1qba n LEU 410 CO 0.43 -0.69 1.03 -2.65 -1.33 0.00 0.00 177.39 174.17 1qba n PRO 411 N -1.23 2.19 -3.94 3.23 -0.02 -1.25 -4.64 135.00 129.34 1qba n PRO 411 Ca 0.12 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1qba n PRO 411 Cb 0.45 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 1qba n PRO 411 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qba s GLN 412 N -2.38 0.62 -1.25 -0.52 -1.52 -1.26 -4.68 119.66 108.68 1qba s GLN 412 Ca 0.61 -0.84 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 1qba s GLN 412 Cb -0.46 0.24 0.00 0.00 -0.22 0.00 0.00 33.01 32.57 1qba s GLN 412 CO 0.58 -0.16 0.00 0.66 -0.25 0.00 0.00 175.29 176.12 1qba n TYR 413 N 0.58 -0.44 -3.31 0.91 4.01 -1.26 -3.97 117.16 113.69 1qba n TYR 413 Ca -0.18 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.39 1qba n TYR 413 Cb 0.59 -2.77 0.07 0.00 -0.31 0.00 0.00 39.34 36.92 1qba n TYR 413 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qba n GLY 414 N -1.11 -0.24 1.00 2.72 0.00 -1.26 -4.89 105.19 101.40 1qba n GLY 414 Ca -0.15 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1qba n GLY 414 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qba n GLN 415 N -3.93 2.40 0.00 1.61 1.13 -1.25 -4.53 117.38 112.81 1qba n GLN 415 Ca -0.07 -2.18 0.00 0.00 -1.94 0.00 0.00 57.00 52.81 1qba n GLN 415 Cb 0.58 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1qba n GLN 415 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qba n GLY 416 N 1.21 0.00 0.16 1.08 0.00 -1.26 -4.76 105.19 101.63 1qba n GLY 416 Ca 0.17 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.44 1qba n GLY 416 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qba h PRO 417 N 0.00 0.00 -7.46 1.61 0.13 -1.96 -3.47 132.00 120.86 1qba h PRO 417 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1qba h PRO 417 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1qba h PRO 417 CO 0.00 0.34 0.40 -0.51 -0.23 0.00 0.00 178.00 178.00 1qba s ASP 418 N -6.37 5.40 -0.12 1.44 1.01 -1.26 -0.83 116.67 115.95 1qba s ASP 418 Ca 0.05 1.08 -0.38 0.00 0.71 0.00 0.00 52.55 54.00 1qba s ASP 418 Cb 0.07 -1.87 -0.16 0.00 1.01 0.00 0.00 42.92 41.97 1qba s ASP 418 CO 0.72 -1.35 1.60 0.52 0.21 0.00 0.00 175.17 176.87 1qba n VAL 419 N -2.99 0.20 -4.01 -1.27 0.31 -1.25 -4.53 118.33 104.79 1qba n VAL 419 Ca 0.07 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 1qba n VAL 419 Cb 0.57 -1.13 -0.17 0.00 -0.91 0.00 0.00 33.84 32.20 1qba n VAL 419 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1qba s TYR 420 N 2.37 0.76 -3.72 3.52 5.04 -0.15 -4.96 117.35 120.21 1qba s TYR 420 Ca 0.92 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1qba s TYR 420 Cb -0.99 -0.75 0.00 0.00 0.35 0.00 0.00 41.96 40.58 1qba s TYR 420 CO 0.57 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.93 1qba n GLY 421 N 4.49 -0.52 0.00 8.97 0.00 -1.26 -0.30 105.19 116.57 1qba n GLY 421 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1qba n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qba n GLY 422 N 0.00 3.17 3.46 -0.02 0.00 -0.39 -4.97 105.19 106.44 1qba n GLY 422 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1qba n GLY 422 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qba s PHE 423 N -2.00 -0.45 -0.29 1.61 -0.12 -1.26 -4.73 117.98 110.73 1qba s PHE 423 Ca 0.00 0.29 -0.23 0.00 -0.05 0.00 0.00 56.93 56.93 1qba s PHE 423 Cb 0.00 0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1qba s PHE 423 CO 0.00 -0.70 0.79 -0.06 -0.05 0.00 0.00 175.22 175.20 1qba s PHE 424 N -3.40 3.23 1.13 3.49 0.08 -0.04 -4.98 117.98 117.48 1qba s PHE 424 Ca 0.03 0.88 -0.13 0.00 0.12 0.00 0.00 56.93 57.83 1qba s PHE 424 Cb -0.01 -3.17 0.26 0.00 -0.57 0.00 0.00 43.02 39.53 1qba s PHE 424 CO -0.11 -0.52 1.04 -1.54 -0.10 0.00 0.00 175.22 173.99 1qba s SER 425 N 1.56 1.34 0.26 1.36 1.04 -1.26 -1.63 113.70 116.37 1qba s SER 425 Ca 0.33 1.48 -0.05 0.00 0.48 0.00 0.00 55.95 58.18 1qba s SER 425 Cb -0.14 -2.23 0.30 0.00 0.10 0.00 0.00 66.02 64.05 1qba s SER 425 CO 0.11 -3.97 1.93 -0.09 0.98 0.00 0.00 173.24 172.21 1qba h ARG 426 N -2.47 1.27 -0.33 4.02 2.43 -1.97 -1.16 114.38 116.16 1qba h ARG 426 Ca -0.60 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.34 1qba h ARG 426 Cb 1.33 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1qba h ARG 426 CO 0.51 0.85 -0.39 0.37 -1.51 0.00 0.00 179.97 179.80 1qba h GLN 427 N 1.30 0.85 -0.58 0.20 5.75 -1.98 -1.66 115.11 118.99 1qba h GLN 427 Ca 0.35 -0.47 0.09 0.00 -0.15 0.00 0.00 58.65 58.47 1qba h GLN 427 Cb -0.14 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.37 1qba h GLN 427 CO -0.07 1.11 0.21 -0.44 -2.65 0.00 0.00 178.83 176.99 1qba h ASP 428 N 0.64 0.21 -0.15 -0.69 3.32 -1.82 0.15 116.42 118.08 1qba h ASP 428 Ca 0.05 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1qba h ASP 428 Cb 0.98 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1qba h ASP 428 CO 0.09 0.13 0.07 0.22 -1.72 0.00 0.00 179.24 178.04 1qba h TYR 429 N 0.39 0.22 -0.86 4.55 3.20 -1.03 -0.99 116.97 122.44 1qba h TYR 429 Ca 0.29 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.19 1qba h TYR 429 Cb 0.34 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 1qba h TYR 429 CO -0.17 0.26 0.55 0.82 -1.64 0.00 0.00 178.16 177.98 1qba h ILE 430 N 0.11 1.10 -0.49 1.81 2.04 -1.03 -1.79 117.51 119.26 1qba h ILE 430 Ca 0.05 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1qba h ILE 430 Cb 0.13 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 1qba h ILE 430 CO -0.01 0.19 0.26 0.44 0.00 0.00 0.00 178.15 179.03 1qba h ASP 431 N 1.03 0.40 -0.83 1.72 3.32 -0.63 -1.48 116.42 119.96 1qba h ASP 431 Ca 0.36 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 1qba h ASP 431 Cb 0.07 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1qba h ASP 431 CO -0.14 0.28 0.42 0.40 -1.72 0.00 0.00 179.24 178.48 1qba h ILE 432 N 0.52 1.25 -0.54 0.35 2.04 -0.70 -1.26 117.51 119.17 1qba h ILE 432 Ca 0.21 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 1qba h ILE 432 Cb 0.08 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1qba h ILE 432 CO -0.13 0.30 -0.01 0.40 0.00 0.00 0.00 178.15 178.71 1qba h ILE 433 N 1.17 1.26 -0.62 -0.67 2.04 -0.82 -0.65 117.51 119.21 1qba h ILE 433 Ca 0.29 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1qba h ILE 433 Cb 0.09 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1qba h ILE 433 CO -0.04 0.40 0.17 0.11 0.00 0.00 0.00 178.15 178.79 1qba h LYS 434 N 0.83 0.99 -0.41 2.37 1.57 -1.16 -0.19 116.57 120.57 1qba h LYS 434 Ca 0.15 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1qba h LYS 434 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1qba h LYS 434 CO 0.03 0.89 0.19 -0.92 -0.57 0.00 0.00 179.45 179.07 1qba h TYR 435 N 0.91 0.61 -0.54 -1.35 5.03 -0.95 -2.29 116.97 118.38 1qba h TYR 435 Ca 0.20 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 1qba h TYR 435 Cb 0.33 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 1qba h TYR 435 CO 0.02 0.51 0.12 0.00 -1.32 0.00 0.00 178.16 177.49 1qba h ALA 436 N 1.04 0.71 -0.93 1.82 0.00 -0.98 -3.11 119.26 117.80 1qba h ALA 436 Ca 0.14 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1qba h ALA 436 Cb 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1qba h ALA 436 CO -0.02 0.42 0.61 0.37 0.00 0.00 0.00 179.25 180.64 1qba h GLN 437 N 0.76 1.17 0.00 0.00 5.75 -0.84 -0.15 115.11 121.80 1qba h GLN 437 Ca 0.17 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1qba h GLN 437 Cb 0.36 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1qba h GLN 437 CO 0.00 0.77 -0.13 0.00 -2.65 0.00 0.00 178.83 176.83 1qba h ALA 438 N 1.37 1.53 -0.65 3.38 0.00 -1.39 -2.52 119.26 120.98 1qba h ALA 438 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qba h ALA 438 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1qba h ALA 438 CO -0.11 0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1qba n ARG 439 N -4.01 2.89 -1.92 0.00 1.74 -0.63 -4.13 116.66 110.60 1qba n ARG 439 Ca -0.02 -2.51 -0.15 0.00 -0.77 0.00 0.00 57.85 54.40 1qba n ARG 439 Cb 0.21 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1qba n ARG 439 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qba n GLN 440 N 1.33 -1.13 -4.15 5.56 1.13 -0.95 -4.75 117.38 114.43 1qba n GLN 440 Ca 0.23 0.86 -0.34 0.00 -1.94 0.00 0.00 57.00 55.80 1qba n GLN 440 Cb 0.66 -5.10 -0.12 0.00 0.11 0.00 0.00 30.24 25.79 1qba n GLN 440 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qba s ILE 441 N -2.67 4.15 -0.19 5.09 1.01 -0.16 -4.73 121.20 123.71 1qba s ILE 441 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 1qba s ILE 441 Cb 0.00 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1qba s ILE 441 CO 0.00 0.45 0.68 -0.70 0.00 0.00 0.00 174.94 175.37 1qba s GLU 442 N 0.68 4.24 -0.25 2.79 2.12 -0.55 -3.62 118.70 124.11 1qba s GLU 442 Ca 0.00 0.71 -0.19 0.00 0.36 0.00 0.00 54.97 55.85 1qba s GLU 442 Cb -0.14 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1qba s GLU 442 CO 0.02 -0.25 0.58 0.08 -0.54 0.00 0.00 175.26 175.15 1qba s VAL 443 N 1.93 5.03 -0.38 3.70 1.01 -1.26 -1.13 120.40 129.30 1qba s VAL 443 Ca 0.31 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1qba s VAL 443 Cb -0.16 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.42 1qba s VAL 443 CO 0.11 0.07 0.16 -0.63 0.00 0.00 0.00 175.10 174.81 1qba s ILE 444 N 2.30 3.39 0.16 2.22 1.01 0.06 -4.80 121.20 125.55 1qba s ILE 444 Ca 0.24 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 1qba s ILE 444 Cb -0.16 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1qba s ILE 444 CO 0.09 -0.51 1.03 -2.16 0.00 0.00 0.00 174.94 173.39 1qba s PRO 445 N 1.22 4.66 -0.18 2.79 0.04 -1.26 -0.51 135.00 141.77 1qba s PRO 445 Ca 0.04 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1qba s PRO 445 Cb -0.22 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1qba s PRO 445 CO -0.02 0.18 -0.17 -2.00 0.04 0.00 0.00 177.00 175.02 1qba s GLU 446 N -0.33 3.08 -0.51 4.56 2.12 -0.43 -1.73 118.70 125.47 1qba s GLU 446 Ca 0.47 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 55.03 1qba s GLU 446 Cb -0.27 -2.62 0.13 0.00 0.26 0.00 0.00 34.13 31.63 1qba s GLU 446 CO 0.33 -0.14 0.27 0.42 -0.54 0.00 0.00 175.26 175.59 1qba s ILE 447 N 1.17 2.86 0.19 -3.70 -1.09 -1.10 -2.56 121.20 116.97 1qba s ILE 447 Ca 0.02 -3.02 -0.32 0.00 -2.23 0.00 0.00 60.65 55.10 1qba s ILE 447 Cb -0.14 -2.97 -0.11 0.00 -1.58 0.00 0.00 42.46 37.66 1qba s ILE 447 CO -0.08 -0.78 1.66 -0.62 -1.23 0.00 0.00 174.94 173.88 1qba s ASP 448 N 0.25 6.47 0.06 3.58 -1.08 -1.26 -4.45 116.67 120.23 1qba s ASP 448 Ca 0.16 2.76 -0.26 0.00 -0.52 0.00 0.00 52.55 54.68 1qba s ASP 448 Cb -0.23 -2.60 0.08 0.00 -1.46 0.00 0.00 42.92 38.71 1qba s ASP 448 CO -0.02 -0.91 0.72 0.00 0.52 0.00 0.00 175.17 175.48 1qba s MET 449 N 1.18 1.07 0.00 4.34 0.23 -1.01 -4.49 119.30 120.62 1qba s MET 449 Ca 0.73 -0.26 0.27 0.00 -1.03 0.00 0.00 55.69 55.39 1qba s MET 449 Cb -0.47 0.49 0.81 0.00 -1.53 0.00 0.00 34.83 34.13 1qba s MET 449 CO 0.32 -0.44 1.62 -0.35 -2.03 0.00 0.00 175.02 174.14 1qba n PRO 450 N -0.06 0.11 -2.22 3.16 -0.04 -1.26 -1.33 135.00 133.37 1qba n PRO 450 Ca -0.15 -0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.11 1qba n PRO 450 Cb 0.62 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 1qba n PRO 450 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qba n ALA 451 N -1.40 0.49 -3.94 0.55 0.00 -1.26 -0.97 120.51 113.97 1qba n ALA 451 Ca 0.07 -1.48 -0.30 0.00 0.00 0.00 0.00 53.44 51.73 1qba n ALA 451 Cb 0.33 0.32 0.02 0.00 0.00 0.00 0.00 19.45 20.12 1qba n ALA 451 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qba n HIS 452 N -2.22 -2.21 -1.69 0.00 8.25 -1.16 -4.87 115.22 111.32 1qba n HIS 452 Ca 0.12 0.89 0.05 0.00 -0.26 0.00 0.00 57.72 58.52 1qba n HIS 452 Cb 0.43 -3.88 0.09 0.00 1.12 0.00 0.00 29.99 27.76 1qba n HIS 452 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qba n ALA 453 N -4.62 2.48 -0.30 -1.41 0.00 -0.60 -3.40 120.51 112.65 1qba n ALA 453 Ca 0.02 -2.25 -0.03 0.00 0.00 0.00 0.00 53.44 51.19 1qba n ALA 453 Cb 0.53 -0.47 0.13 0.00 0.00 0.00 0.00 19.45 19.64 1qba n ALA 453 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qba h ARG 454 N 0.37 1.19 -0.36 0.00 2.43 -1.69 -0.66 114.38 115.67 1qba h ARG 454 Ca -0.04 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1qba h ARG 454 Cb 1.27 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1qba h ARG 454 CO 0.02 0.86 0.23 0.00 -1.51 0.00 0.00 179.97 179.57 1qba h ALA 455 N 1.34 0.46 -0.14 2.80 0.00 -1.36 0.55 119.26 122.91 1qba h ALA 455 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1qba h ALA 455 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1qba h ALA 455 CO -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.17 1qba h ALA 456 N 1.12 0.18 -0.17 0.00 0.00 -1.72 -1.60 119.26 117.07 1qba h ALA 456 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qba h ALA 456 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1qba h ALA 456 CO -0.03 -0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.41 1qba h VAL 457 N 0.04 1.08 -0.28 0.00 2.07 -0.71 -1.01 116.25 117.43 1qba h VAL 457 Ca 0.04 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1qba h VAL 457 Cb 0.24 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1qba h VAL 457 CO -0.00 0.08 -0.30 0.58 0.02 0.00 0.00 177.57 177.95 1qba h VAL 458 N 0.19 1.28 -0.53 2.57 2.07 -0.93 -1.08 116.25 119.82 1qba h VAL 458 Ca 0.06 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1qba h VAL 458 Cb 0.04 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1qba h VAL 458 CO -0.01 0.45 0.12 0.28 0.02 0.00 0.00 177.57 178.43 1qba h SER 459 N 0.50 0.82 0.97 0.57 0.02 -1.17 -1.21 113.55 114.04 1qba h SER 459 Ca 0.06 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1qba h SER 459 Cb 0.77 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1qba h SER 459 CO 0.06 0.84 -0.17 0.24 -1.14 0.00 0.00 176.83 176.67 1qba h MET 460 N 0.75 0.00 -0.06 3.45 2.86 -0.95 -0.87 114.93 120.11 1qba h MET 460 Ca 0.17 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.59 1qba h MET 460 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1qba h MET 460 CO 0.00 0.17 -0.85 0.93 1.06 0.00 0.00 176.91 178.22 1qba h GLU 461 N 0.00 0.54 -0.51 1.72 4.39 -0.82 -0.92 114.58 118.97 1qba h GLU 461 Ca -0.00 -0.50 -0.09 0.00 0.34 0.00 0.00 59.36 59.11 1qba h GLU 461 Cb 0.70 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1qba h GLU 461 CO 0.02 1.13 -0.03 0.00 -1.16 0.00 0.00 179.01 178.97 1qba h ALA 462 N 0.71 1.00 -0.22 3.43 0.00 -0.87 -1.01 119.26 122.30 1qba h ALA 462 Ca -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1qba h ALA 462 Cb 1.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1qba h ALA 462 CO 0.16 0.61 0.05 -0.09 0.00 0.00 0.00 179.25 179.98 1qba h ARG 463 N 0.80 0.36 -0.23 0.00 2.43 -1.14 -1.61 114.38 114.99 1qba h ARG 463 Ca 0.15 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1qba h ARG 463 Cb 0.52 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1qba h ARG 463 CO 0.03 0.48 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.00 1qba h TYR 464 N 0.17 -0.11 -0.45 2.20 3.20 -0.93 -1.33 116.97 119.73 1qba h TYR 464 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1qba h TYR 464 Cb 0.29 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1qba h TYR 464 CO 0.01 -0.09 0.26 0.87 -1.64 0.00 0.00 178.16 177.57 1qba h LYS 465 N 0.01 0.61 -0.05 1.82 1.57 -1.08 -0.08 116.57 119.36 1qba h LYS 465 Ca 0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1qba h LYS 465 Cb 0.17 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1qba h LYS 465 CO -0.23 0.46 0.03 -0.22 -0.57 0.00 0.00 179.45 178.92 1qba h LYS 466 N 0.59 0.07 -0.12 3.15 3.64 -1.01 -1.10 116.57 121.78 1qba h LYS 466 Ca 0.16 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 1qba h LYS 466 Cb 0.02 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1qba h LYS 466 CO -0.03 0.05 -0.71 -0.07 -2.27 0.00 0.00 179.45 176.42 1qba h LEU 467 N 0.06 0.66 -0.97 5.20 3.38 -1.11 -2.98 115.31 119.56 1qba h LEU 467 Ca 0.02 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1qba h LEU 467 Cb -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1qba h LEU 467 CO -0.00 1.18 0.56 -0.74 0.09 0.00 0.00 178.44 179.53 1qba h HIS 468 N 0.40 1.24 -0.17 1.13 2.76 -0.94 -0.68 115.15 118.88 1qba h HIS 468 Ca -0.03 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1qba h HIS 468 Cb 1.30 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 1qba h HIS 468 CO 0.06 0.82 0.04 0.00 -1.30 0.00 0.00 177.93 177.55 1qba h ALA 469 N 1.32 1.76 -0.05 5.26 0.00 -1.05 -1.65 119.26 124.87 1qba h ALA 469 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qba h ALA 469 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1qba h ALA 469 CO -0.06 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1qba n ALA 470 N -2.50 2.59 -1.09 0.00 0.00 -0.95 -4.92 120.51 113.63 1qba n ALA 470 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 1qba n ALA 470 Cb 0.13 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 1qba n ALA 470 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qba n GLY 471 N 1.09 0.63 2.90 0.00 0.00 -0.62 -4.97 105.19 104.22 1qba n GLY 471 Ca 0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1qba n GLY 471 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qba n LYS 472 N -2.90 4.63 -0.15 1.61 5.02 -0.30 -4.85 118.16 121.22 1qba n LYS 472 Ca -0.03 -4.47 -0.04 0.00 -2.02 0.00 0.00 58.31 51.75 1qba n LYS 472 Cb 0.11 -2.54 0.15 0.00 -0.02 0.00 0.00 35.03 32.73 1qba n LYS 472 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1qba h GLU 473 N 5.17 0.88 -0.23 1.97 4.57 -1.89 -0.22 114.58 124.83 1qba h GLU 473 Ca 0.30 -0.20 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 1qba h GLU 473 Cb 0.54 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1qba h GLU 473 CO 1.34 0.82 -0.56 1.96 -1.18 0.00 0.00 179.01 181.39 1qba h GLN 474 N 0.84 0.78 -0.77 1.92 7.50 -1.96 -1.94 115.11 121.48 1qba h GLN 474 Ca 0.18 -0.53 -0.03 0.00 0.50 0.00 0.00 58.65 58.76 1qba h GLN 474 Cb 0.36 0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.93 1qba h GLN 474 CO 0.01 1.16 0.37 0.93 -1.50 0.00 0.00 178.83 179.80 1qba h GLU 475 N 0.53 1.11 -0.92 1.46 5.08 -1.92 -2.24 114.58 117.68 1qba h GLU 475 Ca -0.00 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1qba h GLU 475 Cb 1.17 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1qba h GLU 475 CO 0.12 0.86 0.60 0.00 -1.00 0.00 0.00 179.01 179.59 1qba h ALA 476 N 1.19 1.47 0.00 3.43 0.00 -0.75 -3.00 119.26 121.59 1qba h ALA 476 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qba h ALA 476 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1qba h ALA 476 CO -0.03 0.41 -0.55 0.09 0.00 0.00 0.00 179.25 179.17 1qba n ASN 477 N -4.47 0.55 -0.14 0.00 3.02 -0.76 -4.19 115.26 109.26 1qba n ASN 477 Ca 0.13 -0.30 -0.04 0.00 -0.03 0.00 0.00 54.58 54.35 1qba n ASN 477 Cb 0.16 0.32 0.05 0.00 -0.61 0.00 0.00 39.78 39.70 1qba n ASN 477 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1qba h GLU 478 N 0.00 0.25 -0.11 3.52 4.81 -1.25 -3.01 114.58 118.79 1qba h GLU 478 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1qba h GLU 478 Cb 0.51 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1qba h GLU 478 CO 0.00 0.17 -0.06 1.19 -0.73 0.00 0.00 179.01 179.58 1qba n PHE 479 N -5.08 0.37 -2.19 0.92 3.72 -1.26 -4.56 117.46 109.39 1qba n PHE 479 Ca 0.04 -1.07 -0.41 0.00 -0.05 0.00 0.00 57.45 55.96 1qba n PHE 479 Cb 0.21 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 1qba n PHE 479 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1qba s ARG 480 N -2.94 4.40 -0.02 -1.08 3.52 -1.14 -4.83 118.95 116.86 1qba s ARG 480 Ca 0.37 2.11 0.12 0.00 -0.13 0.00 0.00 55.73 58.20 1qba s ARG 480 Cb 0.32 -3.13 0.34 0.00 -1.56 0.00 0.00 34.95 30.91 1qba s ARG 480 CO 0.03 -0.18 1.28 1.28 -0.81 0.00 0.00 175.30 176.91 1qba n LEU 481 N 1.64 3.06 -4.24 -0.88 4.77 -1.26 -3.95 117.00 116.14 1qba n LEU 481 Ca 0.03 -2.10 -0.30 0.00 -0.03 0.00 0.00 56.01 53.60 1qba n LEU 481 Cb 0.42 -0.27 -0.16 0.00 -2.33 0.00 0.00 43.42 41.08 1qba n LEU 481 CO 0.58 0.73 -0.55 -0.69 -1.33 0.00 0.00 177.39 176.13 1qba s VAL 482 N -1.18 1.94 -0.41 4.08 1.01 -1.26 -2.03 120.40 122.55 1qba s VAL 482 Ca 0.26 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1qba s VAL 482 Cb 0.15 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1qba s VAL 482 CO 0.16 0.54 0.71 -0.62 0.00 0.00 0.00 175.10 175.89 1qba s ASP 483 N -0.13 6.42 0.65 3.32 -1.08 -1.26 -4.95 116.67 119.64 1qba s ASP 483 Ca -0.04 -0.00 0.40 0.00 -0.52 0.00 0.00 52.55 52.39 1qba s ASP 483 Cb -0.13 -2.36 2.18 0.00 -1.46 0.00 0.00 42.92 41.15 1qba s ASP 483 CO 0.03 -0.77 2.23 1.55 0.52 0.00 0.00 175.17 178.74 1qba h PRO 484 N 8.73 0.00 0.00 4.34 0.13 -2.00 0.62 132.00 143.81 1qba h PRO 484 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1qba h PRO 484 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qba h PRO 484 CO 0.90 0.00 -0.25 1.79 -0.23 0.00 0.00 178.00 180.21 1qba h THR 485 N 0.00 0.00 -2.93 1.56 1.35 -1.92 -3.46 112.91 107.51 1qba h THR 485 Ca 0.00 -0.68 -0.57 0.00 -0.55 0.00 0.00 66.41 64.61 1qba h THR 485 Cb 0.16 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 1qba h THR 485 CO 0.00 0.00 0.88 -0.62 -0.25 0.00 0.00 175.52 175.53 1qba s ASP 486 N -5.01 6.96 -0.15 5.36 -1.08 0.21 -4.70 116.67 118.26 1qba s ASP 486 Ca 0.07 1.69 0.17 0.00 -0.52 0.00 0.00 52.55 53.97 1qba s ASP 486 Cb 0.10 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.35 1qba s ASP 486 CO 0.67 -0.74 1.18 0.35 0.52 0.00 0.00 175.17 177.15 1qba n THR 487 N 5.30 1.98 -1.77 1.71 -2.24 -1.25 -4.97 114.28 113.04 1qba n THR 487 Ca 0.14 -2.41 -0.41 0.00 -2.27 0.00 0.00 64.05 59.10 1qba n THR 487 Cb 0.45 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1qba n THR 487 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qba n SER 488 N -1.32 3.87 -4.21 3.42 7.64 -1.26 -4.95 113.62 116.81 1qba n SER 488 Ca 0.17 1.21 -0.41 0.00 1.01 0.00 0.00 58.87 60.85 1qba n SER 488 Cb 0.67 -1.62 -0.08 0.00 -1.01 0.00 0.00 64.21 62.17 1qba n SER 488 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1qba s ASN 489 N 0.03 5.76 0.00 6.43 2.47 -1.26 -4.62 114.94 123.74 1qba s ASN 489 Ca 0.56 -2.05 0.00 0.00 0.42 0.00 0.00 52.86 51.78 1qba s ASN 489 Cb -0.47 -2.02 -0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1qba s ASN 489 CO 0.60 -0.66 -0.00 0.28 -3.72 0.00 0.00 177.10 173.60 1qba s THR 490 N 1.15 0.02 -0.16 -5.21 -1.32 -1.26 -0.00 115.64 108.87 1qba s THR 490 Ca 0.08 -0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.54 1qba s THR 490 Cb -0.25 -0.03 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 1qba s THR 490 CO -0.01 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.34 1qba s THR 491 N -0.02 2.53 0.81 5.08 2.01 -1.26 -3.61 115.64 121.18 1qba s THR 491 Ca -0.00 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 1qba s THR 491 Cb -0.00 -2.06 0.08 0.00 0.01 0.00 0.00 72.50 70.52 1qba s THR 491 CO -0.00 0.52 1.17 -0.94 -0.69 0.00 0.00 174.62 174.68 1qba s SER 492 N 0.86 4.52 0.40 3.53 1.04 -0.49 -1.31 113.70 122.25 1qba s SER 492 Ca -0.05 0.80 0.12 0.00 0.48 0.00 0.00 55.95 57.31 1qba s SER 492 Cb -0.15 -1.31 0.95 0.00 0.10 0.00 0.00 66.02 65.60 1qba s SER 492 CO -0.01 -1.90 1.92 0.58 0.98 0.00 0.00 173.24 174.80 1qba h VAL 493 N -1.05 0.84 -0.53 5.02 2.07 -1.86 -0.66 116.25 120.09 1qba h VAL 493 Ca -0.46 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1qba h VAL 493 Cb 1.33 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1qba h VAL 493 CO 0.66 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.35 1qba n GLN 494 N -4.50 2.82 -2.89 1.57 3.00 -1.26 -4.94 117.38 111.18 1qba n GLN 494 Ca 0.14 -2.15 -0.15 0.00 -0.01 0.00 0.00 57.00 54.83 1qba n GLN 494 Cb 0.46 -1.63 0.03 0.00 0.00 0.00 0.00 30.24 29.10 1qba n GLN 494 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1qba n PHE 495 N 0.96 -1.47 -2.55 1.08 3.72 -0.25 -4.11 117.46 114.84 1qba n PHE 495 Ca 0.20 0.44 -0.24 0.00 -0.05 0.00 0.00 57.45 57.79 1qba n PHE 495 Cb 0.63 -3.41 0.04 0.00 -0.94 0.00 0.00 39.48 35.79 1qba n PHE 495 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1qba s PHE 496 N -3.03 3.05 0.00 1.38 0.08 -1.26 -1.29 117.98 116.92 1qba s PHE 496 Ca 0.25 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.62 1qba s PHE 496 Cb -0.11 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1qba s PHE 496 CO 0.31 -0.87 0.00 -1.71 -0.10 0.00 0.00 175.22 172.85 1qba n ASN 497 N -2.48 0.00 0.13 1.36 2.85 -1.26 -1.39 115.26 114.46 1qba n ASN 497 Ca 0.06 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.64 1qba n ASN 497 Cb 0.59 0.00 0.49 0.00 1.24 0.00 0.00 39.78 42.10 1qba n ASN 497 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1qba n ARG 498 N 0.00 0.17 0.00 1.20 1.85 -1.24 -2.02 116.66 116.63 1qba n ARG 498 Ca 0.00 0.46 0.08 0.00 -1.00 0.00 0.00 57.85 57.39 1qba n ARG 498 Cb 0.00 -1.86 0.38 0.00 -1.05 0.00 0.00 32.46 29.92 1qba n ARG 498 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1qba n GLN 499 N -2.19 0.03 0.14 2.89 6.02 -1.26 -1.96 117.38 121.05 1qba n GLN 499 Ca 0.01 0.19 0.13 0.00 -0.01 0.00 0.00 57.00 57.33 1qba n GLN 499 Cb 0.19 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.31 1qba n GLN 499 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qba h SER 500 N 0.00 0.00 -3.57 1.08 4.64 -1.74 -3.34 113.55 110.62 1qba h SER 500 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1qba h SER 500 Cb 0.28 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.09 1qba h SER 500 CO 0.00 0.00 -0.54 -0.31 -0.87 0.00 0.00 176.83 175.11 1qba s TYR 501 N -3.17 3.30 0.41 4.77 1.51 -0.83 -1.56 117.35 121.77 1qba s TYR 501 Ca 0.09 -1.44 -0.26 0.00 -1.01 0.00 0.00 57.07 54.45 1qba s TYR 501 Cb 0.10 -2.59 -0.09 0.00 -0.11 0.00 0.00 41.96 39.28 1qba s TYR 501 CO 0.59 -0.77 1.31 -0.48 -1.11 0.00 0.00 175.55 175.09 1qba s LEU 502 N 1.42 4.21 -0.34 -1.29 0.05 -0.14 -4.95 118.68 117.64 1qba s LEU 502 Ca 0.01 2.66 -0.26 0.00 0.05 0.00 0.00 54.13 56.59 1qba s LEU 502 Cb -0.21 -3.90 0.01 0.00 -2.05 0.00 0.00 46.19 40.04 1qba s LEU 502 CO 0.03 -0.86 0.94 0.21 -0.55 0.00 0.00 176.35 176.13 1qba s ASN 503 N -0.73 6.75 0.00 1.48 3.84 -0.86 -4.83 114.94 120.59 1qba s ASN 503 Ca 0.57 0.74 0.29 0.00 0.21 0.00 0.00 52.86 54.67 1qba s ASN 503 Cb -0.38 -2.48 1.50 0.00 -0.55 0.00 0.00 41.25 39.34 1qba s ASN 503 CO 0.49 -0.81 2.02 -0.81 -2.79 0.00 0.00 177.10 175.19 1qba n PRO 504 N 6.68 0.48 0.00 0.43 -0.04 -1.26 -3.46 135.00 137.84 1qba n PRO 504 Ca 0.08 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1qba n PRO 504 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1qba n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qba s LEU 506 N -3.26 4.47 0.33 0.00 1.43 -1.22 -4.86 118.68 115.57 1qba s LEU 506 Ca 0.07 1.75 0.12 0.00 -1.03 0.00 0.00 54.13 55.04 1qba s LEU 506 Cb 0.16 -3.70 0.58 0.00 0.03 0.00 0.00 46.19 43.26 1qba s LEU 506 CO 0.82 0.06 1.74 0.44 0.23 0.00 0.00 176.35 179.64 1qba h ASP 507 N 3.69 0.00 -0.15 2.29 3.32 -1.93 -2.45 116.42 121.19 1qba h ASP 507 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1qba h ASP 507 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1qba h ASP 507 CO 0.66 0.47 -0.01 0.77 -1.72 0.00 0.00 179.24 179.41 1qba h SER 508 N 0.00 0.36 -0.48 6.45 4.64 -1.82 -1.46 113.55 121.24 1qba h SER 508 Ca -0.00 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1qba h SER 508 Cb 0.84 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1qba h SER 508 CO 0.06 0.42 -0.09 0.28 -0.87 0.00 0.00 176.83 176.63 1qba h SER 509 N 0.38 0.91 -0.26 4.97 0.02 -1.57 -0.49 113.55 117.51 1qba h SER 509 Ca 0.08 -0.35 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 1qba h SER 509 Cb 0.26 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1qba h SER 509 CO 0.01 1.05 -0.14 1.56 -1.14 0.00 0.00 176.83 178.17 1qba h GLN 510 N 0.75 0.68 -0.49 3.45 4.20 -1.31 -2.00 115.11 120.40 1qba h GLN 510 Ca 0.12 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1qba h GLN 510 Cb 0.64 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1qba h GLN 510 CO 0.04 0.79 0.28 0.00 -0.67 0.00 0.00 178.83 179.28 1qba h ARG 511 N 0.62 0.68 -0.33 1.46 3.08 -1.03 -1.12 114.38 117.74 1qba h ARG 511 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1qba h ARG 511 Cb 0.59 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1qba h ARG 511 CO 0.04 0.52 0.21 0.35 -1.07 0.00 0.00 179.97 180.02 1qba h PHE 512 N 0.66 0.42 -0.25 3.04 3.04 -0.76 -1.71 116.94 121.38 1qba h PHE 512 Ca 0.18 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 1qba h PHE 512 Cb 0.03 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1qba h PHE 512 CO -0.02 0.28 0.15 0.28 -2.02 0.00 0.00 178.31 176.98 1qba h VAL 513 N 0.44 1.09 -0.74 1.41 2.07 -1.21 -0.91 116.25 118.41 1qba h VAL 513 Ca 0.12 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1qba h VAL 513 Cb -0.03 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1qba h VAL 513 CO -0.03 0.09 0.46 -0.78 0.02 0.00 0.00 177.57 177.34 1qba h ASP 514 N 0.32 0.76 -0.43 0.57 3.58 -1.14 0.13 116.42 120.20 1qba h ASP 514 Ca 0.09 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1qba h ASP 514 Cb 0.01 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 1qba h ASP 514 CO -0.02 0.52 0.12 0.50 -2.88 0.00 0.00 179.24 177.48 1qba h LYS 515 N 0.90 0.68 -0.28 0.28 1.63 -0.96 -0.68 116.57 118.14 1qba h LYS 515 Ca 0.30 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 1qba h LYS 515 Cb 0.04 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1qba h LYS 515 CO -0.12 0.67 -0.19 0.28 -3.45 0.00 0.00 179.45 176.64 1qba h VAL 516 N 0.56 1.30 -0.09 2.00 2.07 -0.74 -1.22 116.25 120.12 1qba h VAL 516 Ca 0.14 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1qba h VAL 516 Cb 0.29 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1qba h VAL 516 CO -0.00 0.42 -0.01 0.40 0.02 0.00 0.00 177.57 178.40 1qba h ILE 517 N 0.36 0.93 -0.35 4.57 2.04 -0.72 -1.60 117.51 122.74 1qba h ILE 517 Ca 0.05 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1qba h ILE 517 Cb 0.73 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1qba h ILE 517 CO 0.05 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.41 1qba h GLY 518 N 0.02 0.31 1.03 5.37 0.00 -0.99 0.08 103.07 108.89 1qba h GLY 518 Ca 0.04 0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1qba h GLY 518 CO -0.08 -0.10 -0.03 0.83 0.00 0.00 0.00 176.54 177.16 1qba h GLU 519 N 0.06 0.90 -0.17 4.80 4.39 -1.11 -2.11 114.58 121.35 1qba h GLU 519 Ca 0.17 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 1qba h GLU 519 Cb 0.25 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1qba h GLU 519 CO -0.31 0.95 -0.62 0.82 -1.16 0.00 0.00 179.01 178.69 1qba h ILE 520 N 0.76 1.33 -0.75 3.13 2.04 -1.01 -2.84 117.51 120.16 1qba h ILE 520 Ca 0.14 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 1qba h ILE 520 Cb 0.57 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1qba h ILE 520 CO 0.03 0.59 0.44 0.00 0.00 0.00 0.00 178.15 179.21 1qba h ALA 521 N 0.89 1.37 -0.68 1.87 0.00 -0.95 -2.36 119.26 119.40 1qba h ALA 521 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1qba h ALA 521 Cb 1.18 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1qba h ALA 521 CO 0.12 0.54 0.23 0.37 0.00 0.00 0.00 179.25 180.51 1qba h GLN 522 N 1.04 1.04 -0.50 0.00 5.75 -1.29 -1.29 115.11 119.87 1qba h GLN 522 Ca 0.27 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1qba h GLN 522 Cb -0.03 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1qba h GLN 522 CO -0.05 0.89 0.30 0.52 -2.65 0.00 0.00 178.83 177.84 1qba h MET 523 N 0.98 0.68 -0.78 1.69 2.86 -1.21 -1.05 114.93 118.11 1qba h MET 523 Ca 0.22 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1qba h MET 523 Cb 0.27 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1qba h MET 523 CO -0.01 0.50 0.37 0.45 1.06 0.00 0.00 176.91 179.28 1qba h HIS 524 N 0.67 1.13 -0.59 -0.22 3.86 -1.18 -0.81 115.15 118.01 1qba h HIS 524 Ca 0.18 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1qba h HIS 524 Cb 0.00 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 1qba h HIS 524 CO -0.03 0.83 0.32 0.87 0.86 0.00 0.00 177.93 180.79 1qba h LYS 525 N 1.11 0.83 -0.51 2.45 1.57 -0.90 -1.55 116.57 119.56 1qba h LYS 525 Ca 0.27 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1qba h LYS 525 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1qba h LYS 525 CO -0.03 0.64 0.16 0.93 -0.57 0.00 0.00 179.45 180.58 1qba h GLU 526 N 0.80 0.76 0.00 3.15 5.08 -0.94 -2.36 114.58 121.07 1qba h GLU 526 Ca 0.21 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1qba h GLU 526 Cb 0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1qba h GLU 526 CO -0.03 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1qba h ALA 527 N 1.43 1.00 0.00 3.43 0.00 -0.76 -3.47 119.26 120.89 1qba h ALA 527 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qba h ALA 527 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qba h ALA 527 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1qba n GLY 528 N 0.73 0.74 2.44 0.00 0.00 -0.74 -4.51 105.19 103.85 1qba n GLY 528 Ca 0.04 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1qba n GLY 528 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qba n GLN 529 N -2.47 0.84 -1.62 1.61 7.27 -0.66 -5.02 117.38 117.33 1qba n GLN 529 Ca 0.00 -3.57 -0.44 0.00 0.07 0.00 0.00 57.00 53.06 1qba n GLN 529 Cb 0.00 -1.73 -0.01 0.00 2.41 0.00 0.00 30.24 30.91 1qba n GLN 529 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1qba n PRO 530 N 2.13 1.56 -1.70 3.69 -0.02 -1.23 -4.48 135.00 134.95 1qba n PRO 530 Ca 0.26 0.55 -0.44 0.00 -2.02 0.00 0.00 63.50 61.85 1qba n PRO 530 Cb 0.46 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1qba n PRO 530 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1qba n ILE 531 N 0.38 0.68 -0.08 4.25 5.41 -1.26 -4.91 119.36 123.83 1qba n ILE 531 Ca 0.09 -0.17 -0.09 0.00 1.00 0.00 0.00 62.75 63.58 1qba n ILE 531 Cb 0.33 -1.73 -0.10 0.00 -0.71 0.00 0.00 39.64 37.42 1qba n ILE 531 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1qba n LYS 532 N 2.59 1.33 -4.30 0.38 5.02 -1.26 -4.75 118.16 117.17 1qba n LYS 532 Ca 0.12 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 1qba n LYS 532 Cb 0.33 -1.36 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1qba n LYS 532 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qba s THR 533 N -2.35 0.87 -0.22 -0.18 2.01 -1.26 -3.40 115.64 111.11 1qba s THR 533 Ca -0.12 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1qba s THR 533 Cb 0.05 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1qba s THR 533 CO 0.53 0.31 0.14 0.86 -0.69 0.00 0.00 174.62 175.77 1qba s TRP 534 N 0.96 3.37 -0.33 4.92 -0.11 -0.78 -4.34 118.94 122.63 1qba s TRP 534 Ca -0.10 0.28 -0.11 0.00 1.22 0.00 0.00 56.10 57.39 1qba s TRP 534 Cb -0.15 -2.21 -0.01 0.00 -1.50 0.00 0.00 33.47 29.60 1qba s TRP 534 CO 0.00 0.19 0.20 -1.58 -4.62 0.00 0.00 176.95 171.14 1qba s HIS 535 N 0.68 3.20 -0.41 5.86 5.65 -0.70 -0.77 115.29 128.80 1qba s HIS 535 Ca 0.08 -0.44 0.26 0.00 0.25 0.00 0.00 55.06 55.20 1qba s HIS 535 Cb -0.12 -2.42 0.67 0.00 -1.18 0.00 0.00 32.58 29.53 1qba s HIS 535 CO 0.01 -0.43 1.72 0.35 -0.65 0.00 0.00 174.74 175.74 1qba h PHE 536 N 8.42 0.00 0.00 3.88 3.57 -1.39 -2.92 116.94 128.50 1qba h PHE 536 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1qba h PHE 536 Cb 1.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1qba h PHE 536 CO 0.64 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.13 1qba n GLY 537 N 0.88 1.64 0.85 2.40 0.00 -1.26 -2.40 105.19 107.31 1qba n GLY 537 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1qba n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qba n GLY 538 N 0.00 0.66 3.80 -0.02 0.00 -0.44 -0.35 105.19 108.84 1qba n GLY 538 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1qba n GLY 538 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qba s ASP 539 N -2.95 6.97 -1.49 1.61 -4.77 -1.26 -2.65 116.67 112.13 1qba s ASP 539 Ca 0.00 1.83 -0.09 0.00 -3.30 0.00 0.00 52.55 50.99 1qba s ASP 539 Cb 0.00 -2.56 0.06 0.00 -1.09 0.00 0.00 42.92 39.33 1qba s ASP 539 CO 0.00 -0.34 0.78 -0.62 0.70 0.00 0.00 175.17 175.69 1qba n GLU 540 N -0.19 -4.60 -2.85 2.11 1.02 -1.26 -4.58 120.64 110.29 1qba n GLU 540 Ca 0.05 0.53 -0.44 0.00 -0.02 0.00 0.00 57.16 57.29 1qba n GLU 540 Cb 0.52 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 1qba n GLU 540 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qba n ALA 541 N -4.49 4.42 -3.53 0.62 0.00 -1.26 -4.78 120.51 111.49 1qba n ALA 541 Ca -0.10 -4.37 -0.09 0.00 0.00 0.00 0.00 53.44 48.88 1qba n ALA 541 Cb 0.59 -2.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.12 1qba n ALA 541 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qba s LYS 542 N 0.48 1.55 -0.41 0.00 -2.85 -1.26 -4.94 119.74 112.31 1qba s LYS 542 Ca 0.39 -0.90 -0.17 0.00 -1.00 0.00 0.00 55.97 54.29 1qba s LYS 542 Cb -0.00 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1qba s LYS 542 CO -0.00 -0.68 0.42 1.21 0.10 0.00 0.00 175.35 176.39 1qba s ASN 543 N -2.89 6.19 0.58 0.03 3.84 -1.26 -4.53 114.94 116.89 1qba s ASN 543 Ca 0.10 -0.65 0.38 0.00 0.21 0.00 0.00 52.86 52.90 1qba s ASN 543 Cb -0.03 -2.22 1.88 0.00 -0.55 0.00 0.00 41.25 40.34 1qba s ASN 543 CO 0.01 -0.55 2.14 0.16 -2.79 0.00 0.00 177.10 176.08 1qba h ILE 544 N 5.70 0.00 0.00 -5.21 3.07 -1.50 -2.35 117.51 117.22 1qba h ILE 544 Ca -0.27 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1qba h ILE 544 Cb 1.11 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1qba h ILE 544 CO 0.78 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 178.42 1qba n ARG 545 N -2.97 0.18 -0.30 0.16 5.12 -1.26 -1.72 116.66 115.87 1qba n ARG 545 Ca -0.01 0.29 0.09 0.00 -1.93 0.00 0.00 57.85 56.29 1qba n ARG 545 Cb 0.16 -1.78 0.25 0.00 -1.16 0.00 0.00 32.46 29.93 1qba n ARG 545 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1qba n LEU 546 N -2.11 3.10 -4.77 0.55 4.77 -0.88 -4.86 117.00 112.80 1qba n LEU 546 Ca 0.04 -1.55 -0.29 0.00 -0.03 0.00 0.00 56.01 54.18 1qba n LEU 546 Cb 0.31 -0.39 0.14 0.00 -2.33 0.00 0.00 43.42 41.15 1qba n LEU 546 CO 0.24 0.75 0.70 -0.83 -1.33 0.00 0.00 177.39 176.92 1qba s GLY 547 N -0.98 1.57 0.54 -0.72 0.00 -0.70 -4.97 107.32 102.06 1qba s GLY 547 Ca 0.38 -0.51 0.32 0.00 0.00 0.00 0.00 44.72 44.91 1qba s GLY 547 CO 0.25 0.06 2.03 0.00 0.00 0.00 0.00 173.10 175.44 1qba h ALA 548 N -1.59 1.06 -0.08 3.20 0.00 -1.94 -2.98 119.26 116.94 1qba h ALA 548 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1qba h ALA 548 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1qba h ALA 548 CO 0.61 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1qba n GLY 549 N -0.25 0.23 3.69 0.00 0.00 -1.26 -4.81 105.19 102.80 1qba n GLY 549 Ca -0.01 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1qba n GLY 549 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qba s TYR 550 N -1.91 2.96 0.09 1.61 2.02 -1.13 -0.71 117.35 120.28 1qba s TYR 550 Ca 0.35 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1qba s TYR 550 Cb 0.20 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1qba s TYR 550 CO 0.31 0.50 -0.01 -0.08 -1.57 0.00 0.00 175.55 174.70 1qba s THR 551 N -1.51 0.27 0.06 -0.71 -1.32 0.46 -4.80 115.64 108.09 1qba s THR 551 Ca 0.27 -1.87 -0.17 0.00 -1.21 0.00 0.00 61.69 58.72 1qba s THR 551 Cb -0.11 -1.73 -0.06 0.00 -1.51 0.00 0.00 72.50 69.09 1qba s THR 551 CO 0.19 -0.79 0.51 -0.62 -2.21 0.00 0.00 174.62 171.70 1qba s ASP 552 N -2.99 6.93 0.51 8.08 2.15 -1.26 -1.57 116.67 128.51 1qba s ASP 552 Ca 0.14 1.12 0.31 0.00 0.43 0.00 0.00 52.55 54.54 1qba s ASP 552 Cb 0.07 -2.31 1.42 0.00 -0.30 0.00 0.00 42.92 41.81 1qba s ASP 552 CO -0.05 0.26 1.83 0.50 -0.17 0.00 0.00 175.17 177.53 1qba h LYS 553 N 4.37 0.09 0.02 4.34 3.64 -1.54 -2.43 116.57 125.06 1qba h LYS 553 Ca -0.50 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 58.66 1qba h LYS 553 Cb 1.21 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1qba h LYS 553 CO 0.63 0.06 -0.86 0.00 -2.27 0.00 0.00 179.45 177.02 1qba h ALA 554 N 1.51 0.08 -2.01 5.00 0.00 -1.93 -3.40 119.26 118.50 1qba h ALA 554 Ca 0.52 -0.65 -0.53 0.00 0.00 0.00 0.00 54.91 54.25 1qba h ALA 554 Cb 1.88 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 19.33 1qba h ALA 554 CO -0.07 0.52 -1.11 1.63 0.00 0.00 0.00 179.25 180.22 1qba n LYS 555 N -4.03 0.93 -1.90 0.00 5.02 -0.98 -5.11 118.16 112.10 1qba n LYS 555 Ca -0.11 -3.37 -0.42 0.00 -2.02 0.00 0.00 58.31 52.39 1qba n LYS 555 Cb 0.80 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 1qba n LYS 555 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qba s PRO 556 N -1.74 4.18 0.35 1.97 0.04 -0.95 -4.50 135.00 134.35 1qba s PRO 556 Ca 0.37 2.34 -0.23 0.00 0.04 0.00 0.00 61.00 63.52 1qba s PRO 556 Cb 0.24 -3.87 -0.10 0.00 0.04 0.00 0.00 34.50 30.81 1qba s PRO 556 CO -0.10 -0.83 0.92 -1.21 0.04 0.00 0.00 177.00 175.83 1qba s GLU 557 N 3.57 4.42 0.59 4.56 2.02 -1.26 -5.03 118.70 127.57 1qba s GLU 557 Ca 0.77 1.20 -0.19 0.00 0.02 0.00 0.00 54.97 56.77 1qba s GLU 557 Cb -0.38 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 1qba s GLU 557 CO 0.33 0.18 1.24 -1.25 0.02 0.00 0.00 175.26 175.79 1qba s PRO 558 N -2.45 2.95 -0.06 0.39 0.05 -1.26 -3.75 135.00 130.87 1qba s PRO 558 Ca 0.54 1.92 0.00 0.00 0.05 0.00 0.00 61.00 63.51 1qba s PRO 558 Cb -0.15 -1.98 0.00 0.00 0.05 0.00 0.00 34.50 32.42 1qba s PRO 558 CO 0.20 -1.25 0.00 0.41 0.05 0.00 0.00 177.00 176.41 1qba n GLY 559 N 0.61 0.48 3.19 0.56 0.00 -1.26 -5.02 105.19 103.76 1qba n GLY 559 Ca 0.13 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1qba n GLY 559 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qba s LYS 560 N -0.84 0.89 -0.06 1.61 1.02 -1.25 -3.31 119.74 117.80 1qba s LYS 560 Ca 0.00 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 1qba s LYS 560 Cb 0.00 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1qba s LYS 560 CO 0.00 0.14 1.46 0.20 -0.92 0.00 0.00 175.35 176.23 1qba s GLY 561 N -2.22 1.68 -0.42 -3.33 0.00 0.11 -4.45 107.32 98.68 1qba s GLY 561 Ca 0.04 0.80 -0.25 0.00 0.00 0.00 0.00 44.72 45.30 1qba s GLY 561 CO 0.02 2.71 0.92 -0.42 0.00 0.00 0.00 173.10 176.33 1qba s ILE 562 N 3.29 4.53 0.29 0.90 1.01 -0.27 -0.40 121.20 130.55 1qba s ILE 562 Ca 0.65 0.93 0.02 0.00 0.00 0.00 0.00 60.65 62.26 1qba s ILE 562 Cb -0.30 -4.39 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 1qba s ILE 562 CO 0.25 -0.70 0.08 0.27 0.00 0.00 0.00 174.94 174.83 1qba s ILE 563 N 3.62 0.84 -0.78 2.92 -4.36 -0.61 -3.80 121.20 119.04 1qba s ILE 563 Ca 0.37 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.54 1qba s ILE 563 Cb -0.11 -2.71 0.08 0.00 1.25 0.00 0.00 42.46 40.97 1qba s ILE 563 CO 0.23 0.00 1.09 -0.62 0.24 0.00 0.00 174.94 175.88 1qba s ASP 564 N -3.39 6.33 0.00 4.36 2.15 -1.26 -1.28 116.67 123.57 1qba s ASP 564 Ca 0.37 -1.26 0.28 0.00 0.43 0.00 0.00 52.55 52.37 1qba s ASP 564 Cb 0.08 -2.44 1.16 0.00 -0.30 0.00 0.00 42.92 41.42 1qba s ASP 564 CO 0.15 -1.39 1.84 0.00 -0.17 0.00 0.00 175.17 175.60 1qba n GLN 565 N 7.69 0.32 0.00 4.34 6.02 -1.26 -3.90 117.38 130.59 1qba n GLN 565 Ca 0.08 -0.08 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1qba n GLN 565 Cb 0.47 -1.50 0.70 0.00 1.02 0.00 0.00 30.24 30.93 1qba n GLN 565 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qba n GLY 566 N 1.38 -1.23 0.16 1.08 0.00 -1.26 -2.67 105.19 102.65 1qba n GLY 566 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1qba n GLY 566 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qba n ASN 567 N -1.30 1.85 -4.68 1.61 2.04 -1.25 -4.97 115.26 108.55 1qba n ASN 567 Ca 0.13 -1.63 -0.39 0.00 -0.44 0.00 0.00 54.58 52.25 1qba n ASN 567 Cb 0.23 -0.04 -0.07 0.00 -2.53 0.00 0.00 39.78 37.38 1qba n ASN 567 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1qba s GLU 568 N -0.69 4.23 0.13 -3.83 0.41 -1.09 -4.66 118.70 113.20 1qba s GLU 568 Ca 0.05 0.41 0.06 0.00 -0.41 0.00 0.00 54.97 55.08 1qba s GLU 568 Cb 0.03 -3.53 -0.04 0.00 -1.78 0.00 0.00 34.13 28.81 1qba s GLU 568 CO 0.04 -0.06 0.00 -0.51 -0.49 0.00 0.00 175.26 174.24 1qba s ASP 569 N 1.01 4.93 0.58 -0.19 1.01 1.00 -5.01 116.67 120.00 1qba s ASP 569 Ca 0.24 -0.26 -0.18 0.00 0.71 0.00 0.00 52.55 53.06 1qba s ASP 569 Cb -0.15 -1.13 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 1qba s ASP 569 CO 0.10 0.14 1.11 -0.54 0.21 0.00 0.00 175.17 176.18 1qba s LYS 570 N -2.57 3.21 0.17 8.23 1.02 -1.26 -4.37 119.74 124.17 1qba s LYS 570 Ca 0.26 1.48 -0.33 0.00 0.02 0.00 0.00 55.97 57.40 1qba s LYS 570 Cb -0.11 -2.00 -0.15 0.00 -0.52 0.00 0.00 37.83 35.05 1qba s LYS 570 CO 0.18 -0.94 1.25 -2.30 -0.92 0.00 0.00 175.35 172.63 1qba n PRO 571 N -1.69 1.36 -0.92 -1.68 -0.02 -1.26 -2.31 135.00 128.47 1qba n PRO 571 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1qba n PRO 571 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1qba n PRO 571 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1qba n TRP 572 N 1.80 0.00 -0.19 6.00 8.01 -1.26 -4.90 117.44 126.90 1qba n TRP 572 Ca 0.15 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.46 1qba n TRP 572 Cb 0.25 -0.59 0.43 0.00 -2.01 0.00 0.00 31.31 29.40 1qba n TRP 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qba h ALA 573 N 0.00 1.93 -0.70 6.99 0.00 -1.83 -1.00 119.26 124.65 1qba h ALA 573 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qba h ALA 573 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qba h ALA 573 CO 0.00 -0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.76 1qba n LYS 574 N -4.50 3.31 -2.90 0.00 4.76 -1.26 -4.88 118.16 112.69 1qba n LYS 574 Ca 0.14 -2.81 -0.42 0.00 -2.87 0.00 0.00 58.31 52.35 1qba n LYS 574 Cb 0.43 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1qba n LYS 574 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qba s SER 575 N -0.95 6.82 0.24 4.39 0.15 -0.38 -3.82 113.70 120.15 1qba s SER 575 Ca 0.51 1.02 -0.07 0.00 0.70 0.00 0.00 55.95 58.11 1qba s SER 575 Cb 0.30 -2.43 0.24 0.00 -1.71 0.00 0.00 66.02 62.42 1qba s SER 575 CO 0.29 -0.51 1.92 -0.61 1.20 0.00 0.00 173.24 175.53 1qba h GLN 576 N 7.69 1.26 -0.57 5.44 4.15 -1.87 -1.81 115.11 129.40 1qba h GLN 576 Ca -0.23 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 1qba h GLN 576 Cb 1.09 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 1qba h GLN 576 CO 0.87 0.83 0.30 0.28 -1.93 0.00 0.00 178.83 179.18 1qba h VAL 577 N 1.30 1.19 -0.34 2.39 2.07 -1.95 -1.94 116.25 118.98 1qba h VAL 577 Ca 0.35 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1qba h VAL 577 Cb -0.15 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1qba h VAL 577 CO -0.08 0.21 -0.21 0.00 0.02 0.00 0.00 177.57 177.52 1qba h GLN 579 N 0.57 0.75 0.00 0.00 4.20 -1.11 -1.86 115.11 117.66 1qba h GLN 579 Ca 0.08 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1qba h GLN 579 Cb 0.67 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1qba h GLN 579 CO 0.05 0.50 -0.31 1.79 -0.67 0.00 0.00 178.83 180.19 1qba h THR 580 N 0.77 0.86 -0.20 -0.54 1.35 -1.20 -1.37 112.91 112.58 1qba h THR 580 Ca 0.23 -1.23 -0.12 0.00 -0.55 0.00 0.00 66.41 64.74 1qba h THR 580 Cb -0.04 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1qba h THR 580 CO -0.07 0.30 -0.40 -0.03 -0.25 0.00 0.00 175.52 175.07 1qba h MET 581 N 0.00 0.46 -0.19 4.72 1.85 -1.14 -1.50 114.93 119.13 1qba h MET 581 Ca -0.00 -0.23 -0.17 0.00 -0.61 0.00 0.00 59.70 58.69 1qba h MET 581 Cb 0.71 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.74 1qba h MET 581 CO 0.04 0.79 -0.58 0.82 -0.40 0.00 0.00 176.91 177.58 1qba h ILE 582 N 0.38 1.31 -0.21 1.77 2.04 -0.45 -2.86 117.51 119.50 1qba h ILE 582 Ca 0.03 -1.83 -0.14 0.00 1.00 0.00 0.00 64.86 63.93 1qba h ILE 582 Cb 0.87 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1qba h ILE 582 CO 0.07 0.57 -0.44 0.11 0.00 0.00 0.00 178.15 178.46 1qba h LYS 583 N 0.47 0.52 -0.08 2.37 1.79 -1.03 -2.94 116.57 117.67 1qba h LYS 583 Ca 0.00 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1qba h LYS 583 Cb 1.15 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1qba h LYS 583 CO 0.11 0.86 0.00 -0.85 -1.08 0.00 0.00 179.45 178.50 1qba n GLU 584 N -4.01 0.82 -0.97 3.15 0.28 -0.59 -4.83 120.64 114.50 1qba n GLU 584 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1qba n GLU 584 Cb 0.53 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.37 1qba n GLU 584 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qba n GLY 585 N 0.30 0.77 0.18 -1.84 0.00 -1.11 -4.95 105.19 98.55 1qba n GLY 585 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1qba n GLY 585 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qba h LYS 586 N 2.19 0.54 -5.53 1.61 1.57 -1.69 -3.43 116.57 111.84 1qba h LYS 586 Ca 0.00 -0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 58.26 1qba h LYS 586 Cb 0.03 -0.11 -0.24 0.00 0.08 0.00 0.00 32.23 31.99 1qba h LYS 586 CO 0.00 0.41 -0.80 0.08 -0.57 0.00 0.00 179.45 178.57 1qba s VAL 587 N -5.98 1.26 0.04 0.50 1.01 -1.24 -5.06 120.40 110.92 1qba s VAL 587 Ca -0.13 -1.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 1qba s VAL 587 Cb 0.11 -1.15 -0.16 0.00 0.00 0.00 0.00 36.38 35.18 1qba s VAL 587 CO 0.73 -0.04 1.45 0.00 0.00 0.00 0.00 175.10 177.24 1qba h ALA 588 N 4.64 0.10 -2.94 5.51 0.00 -1.88 -3.40 119.26 121.28 1qba h ALA 588 Ca -0.40 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1qba h ALA 588 Cb 1.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1qba h ALA 588 CO 0.42 -0.22 0.07 0.16 0.00 0.00 0.00 179.25 179.68 1qba s ASP 589 N -5.64 0.01 0.33 0.00 1.47 -1.26 -5.03 116.67 106.55 1qba s ASP 589 Ca -0.15 -0.96 0.01 0.00 1.18 0.00 0.00 52.55 52.64 1qba s ASP 589 Cb 0.04 0.70 0.58 0.00 -0.34 0.00 0.00 42.92 43.91 1qba s ASP 589 CO 0.69 -1.36 1.97 0.24 0.68 0.00 0.00 175.17 177.39 1qba h MET 590 N 2.10 0.83 0.00 2.11 2.86 -1.94 -2.70 114.93 118.19 1qba h MET 590 Ca -0.26 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1qba h MET 590 Cb 1.25 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1qba h MET 590 CO 0.33 0.60 -0.09 0.93 1.06 0.00 0.00 176.91 179.73 1qba h GLU 591 N 0.85 0.00 -0.00 1.72 4.39 -1.97 -2.28 114.58 117.29 1qba h GLU 591 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1qba h GLU 591 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1qba h GLU 591 CO -0.04 0.09 -0.06 0.72 -1.16 0.00 0.00 179.01 178.57 1qba n HIS 592 N -4.20 0.00 -0.22 4.33 8.25 -1.02 -4.41 115.22 117.96 1qba n HIS 592 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1qba n HIS 592 Cb 0.17 -0.26 0.09 0.00 1.12 0.00 0.00 29.99 31.12 1qba n HIS 592 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qba h LEU 593 N 0.20 0.48 -0.28 2.41 3.38 -1.50 -2.24 115.31 117.76 1qba h LEU 593 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1qba h LEU 593 Cb 0.33 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1qba h LEU 593 CO 0.00 0.31 -0.01 -0.65 0.09 0.00 0.00 178.44 178.18 1qba h PRO 594 N 0.62 0.07 -0.69 1.13 0.11 -1.82 -0.01 132.00 131.40 1qba h PRO 594 Ca 0.29 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1qba h PRO 594 Cb 0.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1qba h PRO 594 CO -0.19 0.04 0.24 0.77 -0.21 0.00 0.00 178.00 178.65 1qba h SER 595 N 0.07 0.98 -0.62 -2.05 0.02 -1.38 -1.29 113.55 109.28 1qba h SER 595 Ca 0.13 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1qba h SER 595 Cb 0.18 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1qba h SER 595 CO -0.23 0.91 0.38 0.22 -1.14 0.00 0.00 176.83 176.97 1qba h TYR 596 N 1.00 0.72 -0.58 3.45 3.20 -1.08 -1.68 116.97 121.99 1qba h TYR 596 Ca 0.23 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 1qba h TYR 596 Cb 0.26 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1qba h TYR 596 CO 0.02 0.41 0.09 0.35 -1.64 0.00 0.00 178.16 177.39 1qba h PHE 597 N 0.75 0.99 -0.51 -3.82 3.57 -0.76 -1.82 116.94 115.35 1qba h PHE 597 Ca 0.25 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1qba h PHE 597 Cb 0.01 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1qba h PHE 597 CO -0.05 0.85 0.26 0.78 -2.23 0.00 0.00 178.31 177.92 1qba h GLY 598 N 1.02 0.77 0.87 2.40 0.00 -0.84 0.32 103.07 107.60 1qba h GLY 598 Ca 0.18 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1qba h GLY 598 CO 0.01 0.35 0.44 1.46 0.00 0.00 0.00 176.54 178.80 1qba h GLN 599 N 0.68 0.83 -0.46 4.80 4.20 -0.99 -1.10 115.11 123.06 1qba h GLN 599 Ca 0.18 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1qba h GLN 599 Cb 0.08 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1qba h GLN 599 CO -0.03 0.55 0.07 0.93 -0.67 0.00 0.00 178.83 179.68 1qba h GLU 600 N 0.86 0.76 -0.38 1.46 4.39 -1.05 -2.69 114.58 117.94 1qba h GLU 600 Ca 0.28 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1qba h GLU 600 Cb 0.02 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1qba h GLU 600 CO -0.11 0.78 -0.01 0.28 -1.16 0.00 0.00 179.01 178.79 1qba h VAL 601 N 0.63 1.22 -0.45 3.13 2.07 -0.82 -2.47 116.25 119.55 1qba h VAL 601 Ca 0.14 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1qba h VAL 601 Cb 0.39 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1qba h VAL 601 CO 0.01 0.30 0.30 0.77 0.02 0.00 0.00 177.57 178.97 1qba h SER 602 N 0.57 0.51 -0.65 0.57 4.64 -0.87 0.53 113.55 118.85 1qba h SER 602 Ca 0.12 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1qba h SER 602 Cb 0.38 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1qba h SER 602 CO 0.01 0.37 0.08 0.11 -0.87 0.00 0.00 176.83 176.53 1qba h LYS 603 N 0.61 1.10 -0.31 4.77 1.57 -1.25 0.77 116.57 123.82 1qba h LYS 603 Ca 0.17 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1qba h LYS 603 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1qba h LYS 603 CO -0.04 1.02 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.54 1qba h LEU 604 N 1.01 0.62 -0.12 2.94 3.38 -1.14 -0.96 115.31 121.03 1qba h LEU 604 Ca 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1qba h LEU 604 Cb 0.48 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1qba h LEU 604 CO 0.02 0.86 0.02 0.58 0.09 0.00 0.00 178.44 180.01 1qba h VAL 605 N 0.53 1.21 -0.82 1.22 2.07 -0.61 -2.68 116.25 117.16 1qba h VAL 605 Ca 0.07 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1qba h VAL 605 Cb 0.73 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1qba h VAL 605 CO 0.06 0.19 0.50 0.50 0.02 0.00 0.00 177.57 178.84 1qba h LYS 606 N -0.02 1.10 0.00 1.57 1.63 -0.74 -2.08 116.57 118.04 1qba h LYS 606 Ca 0.04 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1qba h LYS 606 Cb 0.28 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1qba h LYS 606 CO 0.00 0.77 -0.02 0.00 -3.45 0.00 0.00 179.45 176.75 1qba h ALA 607 N 1.27 1.18 -0.52 5.00 0.00 -1.03 -1.18 119.26 123.99 1qba h ALA 607 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qba h ALA 607 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1qba h ALA 607 CO -0.06 0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1qba n HIS 608 N -3.38 1.13 -1.03 0.00 8.25 -0.83 -4.92 115.22 114.45 1qba n HIS 608 Ca -0.02 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1qba n HIS 608 Cb 0.13 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1qba n HIS 608 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qba n GLY 609 N 1.00 0.40 3.45 -1.41 0.00 -0.44 -5.04 105.19 103.14 1qba n GLY 609 Ca 0.20 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1qba n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qba s ILE 610 N -2.00 3.75 -0.19 -0.61 1.01 -0.92 -5.00 121.20 117.24 1qba s ILE 610 Ca 0.00 -0.40 0.16 0.00 0.00 0.00 0.00 60.65 60.42 1qba s ILE 610 Cb 0.00 -2.66 0.55 0.00 0.01 0.00 0.00 42.46 40.37 1qba s ILE 610 CO 0.00 0.47 1.45 -0.67 0.00 0.00 0.00 174.94 176.19 1qba n ASP 611 N 3.87 3.99 -3.73 3.58 2.03 -1.26 -3.25 116.55 121.78 1qba n ASP 611 Ca -0.17 -3.04 -0.12 0.00 0.52 0.00 0.00 54.79 51.98 1qba n ASP 611 Cb 0.52 -0.56 -0.12 0.00 -0.72 0.00 0.00 41.12 40.24 1qba n ASP 611 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1qba s ARG 612 N -2.84 0.25 0.08 -0.67 3.52 -1.22 -2.61 118.95 115.45 1qba s ARG 612 Ca 0.43 0.55 0.09 0.00 -0.13 0.00 0.00 55.73 56.68 1qba s ARG 612 Cb 0.35 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1qba s ARG 612 CO 0.09 -0.14 -0.25 1.41 -0.81 0.00 0.00 175.30 175.60 1qba s MET 613 N 1.12 1.56 0.09 5.12 -2.45 -0.97 -1.87 119.30 121.90 1qba s MET 613 Ca -0.08 -1.16 0.05 0.00 -1.25 0.00 0.00 55.69 53.25 1qba s MET 613 Cb -0.09 -1.83 -0.03 0.00 1.25 0.00 0.00 34.83 34.13 1qba s MET 613 CO -0.08 0.46 -0.14 -1.14 1.05 0.00 0.00 175.02 175.17 1qba s GLN 614 N -1.54 0.89 0.18 4.11 0.74 0.05 -0.61 119.66 123.48 1qba s GLN 614 Ca 0.11 -1.08 -0.16 0.00 0.05 0.00 0.00 55.36 54.28 1qba s GLN 614 Cb -0.10 -0.82 0.02 0.00 1.10 0.00 0.00 33.01 33.22 1qba s GLN 614 CO 0.03 0.17 0.47 0.00 -0.55 0.00 0.00 175.29 175.41 1qba s ALA 615 N -1.72 -0.81 0.18 1.58 0.00 -0.89 -1.10 121.76 119.00 1qba s ALA 615 Ca 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 1qba s ALA 615 Cb -0.07 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 1qba s ALA 615 CO 0.02 -0.75 1.19 -1.58 0.00 0.00 0.00 175.76 174.64 1qba s TRP 616 N -3.87 3.44 0.43 0.00 0.52 0.53 -0.59 118.94 119.40 1qba s TRP 616 Ca 0.09 1.44 0.10 0.00 0.02 0.00 0.00 56.10 57.75 1qba s TRP 616 Cb 0.00 -3.42 0.95 0.00 -1.15 0.00 0.00 33.47 29.86 1qba s TRP 616 CO -0.04 -1.15 2.05 -0.56 0.02 0.00 0.00 176.95 177.27 1qba h GLN 617 N 5.23 0.44 0.00 4.98 -0.00 -1.78 -2.02 115.11 121.96 1qba h GLN 617 Ca -0.44 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.17 1qba h GLN 617 Cb 1.21 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.48 28.59 1qba h GLN 617 CO 0.74 0.29 -0.05 0.38 -0.00 0.00 0.00 178.83 180.20 1qba h ASP 618 N 0.45 0.00 1.16 0.06 2.03 -1.88 -1.92 116.42 116.33 1qba h ASP 618 Ca 0.16 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 1qba h ASP 618 Cb 0.08 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1qba h ASP 618 CO -0.04 0.05 -0.04 1.23 -1.03 0.00 0.00 179.24 179.41 1qba h GLY 619 N 0.50 0.00 -0.88 7.15 0.00 -1.12 -3.11 103.07 105.61 1qba h GLY 619 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qba h GLY 619 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 1qba n LEU 620 N -3.14 2.72 0.26 3.11 4.77 -0.73 -2.68 117.00 121.30 1qba n LEU 620 Ca 0.01 -2.14 0.10 0.00 -0.03 0.00 0.00 56.01 53.95 1qba n LEU 620 Cb 0.36 -0.20 0.68 0.00 -2.33 0.00 0.00 43.42 41.94 1qba n LEU 620 CO 0.29 0.66 1.03 0.07 -1.33 0.00 0.00 177.39 178.11 1qba h LYS 621 N 1.33 0.00 -0.01 3.23 2.10 -1.45 -2.44 116.57 119.32 1qba h LYS 621 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qba h LYS 621 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1qba h LYS 621 CO 0.02 0.07 -0.17 -0.25 -2.00 0.00 0.00 179.45 177.11 1qba n ASP 622 N -4.19 1.62 -4.79 7.07 8.00 -1.26 -4.91 116.55 118.10 1qba n ASP 622 Ca -0.03 -1.35 -0.36 0.00 0.71 0.00 0.00 54.79 53.77 1qba n ASP 622 Cb 0.15 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1qba n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qba s ALA 623 N -2.26 2.96 0.09 2.24 0.00 -0.92 -4.96 121.76 118.90 1qba s ALA 623 Ca 0.28 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 52.70 1qba s ALA 623 Cb 0.20 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.89 1qba s ALA 623 CO 0.44 -0.37 1.69 1.49 0.00 0.00 0.00 175.76 179.01 1qba h GLU 624 N 1.97 -0.27 0.00 0.00 4.22 -1.90 -3.48 114.58 115.12 1qba h GLU 624 Ca -0.49 0.02 0.18 0.00 0.08 0.00 0.00 59.36 59.15 1qba h GLU 624 Cb 1.23 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1qba h GLU 624 CO 0.60 -0.18 0.57 -1.13 -2.18 0.00 0.00 179.01 176.69 1qba n SER 625 N -5.24 -1.29 0.33 1.04 3.41 -1.26 -5.00 113.62 105.61 1qba n SER 625 Ca -0.08 -1.58 0.22 0.00 -0.26 0.00 0.00 58.87 57.17 1qba n SER 625 Cb 0.16 2.08 1.14 0.00 -0.26 0.00 0.00 64.21 67.33 1qba n SER 625 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qba h SER 626 N 1.62 0.00 0.27 4.04 4.64 -1.59 -1.53 113.55 121.01 1qba h SER 626 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1qba h SER 626 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1qba h SER 626 CO 0.29 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.36 1qba h LYS 627 N 0.00 0.00 0.00 4.77 1.79 -1.95 -2.73 116.57 118.45 1qba h LYS 627 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qba h LYS 627 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1qba h LYS 627 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1qba n ALA 628 N -2.04 2.43 -2.69 3.86 0.00 -0.57 -4.84 120.51 116.64 1qba n ALA 628 Ca -0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1qba n ALA 628 Cb 0.13 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 1qba n ALA 628 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qba s PHE 629 N -2.38 2.96 -0.02 0.00 0.40 -1.03 -4.86 117.98 113.05 1qba s PHE 629 Ca 0.31 -0.06 0.19 0.00 -0.60 0.00 0.00 56.93 56.77 1qba s PHE 629 Cb 0.19 -1.49 0.44 0.00 0.51 0.00 0.00 43.02 42.68 1qba s PHE 629 CO 0.39 0.49 1.62 0.00 0.70 0.00 0.00 175.22 178.42 1qba h ALA 630 N 3.11 0.85 -2.21 5.36 0.00 -1.83 -3.44 119.26 121.10 1qba h ALA 630 Ca -0.48 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 53.63 1qba h ALA 630 Cb 1.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1qba h ALA 630 CO 0.59 0.47 0.24 0.95 0.00 0.00 0.00 179.25 181.51 1qba s THR 631 N -3.30 4.49 -0.49 0.00 -4.23 -1.26 -4.93 115.64 105.92 1qba s THR 631 Ca 0.02 1.32 0.26 0.00 -1.18 0.00 0.00 61.69 62.11 1qba s THR 631 Cb 0.09 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.59 1qba s THR 631 CO 0.70 -0.20 1.75 0.77 -0.54 0.00 0.00 174.62 177.09 1qba h SER 632 N 2.23 0.00 -3.73 3.99 4.64 -1.83 -3.43 113.55 115.41 1qba h SER 632 Ca -0.48 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.27 1qba h SER 632 Cb 1.18 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.95 1qba h SER 632 CO 0.63 0.00 -0.84 -0.13 -0.87 0.00 0.00 176.83 175.62 1qba s ARG 633 N -3.25 1.89 -0.10 4.77 0.52 -1.07 -5.07 118.95 116.64 1qba s ARG 633 Ca 0.07 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1qba s ARG 633 Cb 0.09 -1.59 0.03 0.00 0.52 0.00 0.00 34.95 34.00 1qba s ARG 633 CO 0.57 0.19 -0.02 0.08 0.02 0.00 0.00 175.30 176.14 1qba s VAL 634 N 0.22 0.62 0.08 3.52 1.01 -1.26 -2.29 120.40 122.30 1qba s VAL 634 Ca -0.08 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1qba s VAL 634 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1qba s VAL 634 CO 0.03 0.23 0.22 -0.83 0.00 0.00 0.00 175.10 174.75 1qba s GLY 635 N 1.86 2.10 -0.06 4.51 0.00 0.22 -0.98 107.32 114.97 1qba s GLY 635 Ca 0.04 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1qba s GLY 635 CO -0.07 -0.86 -0.17 -1.34 0.00 0.00 0.00 173.10 170.66 1qba s VAL 636 N -1.55 1.45 -0.53 1.40 -7.23 -0.26 -2.10 120.40 111.59 1qba s VAL 636 Ca 0.35 -0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 59.55 1qba s VAL 636 Cb -0.13 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.57 1qba s VAL 636 CO 0.28 0.42 1.12 0.20 -0.31 0.00 0.00 175.10 176.81 1qba s ASN 637 N 0.35 6.51 -0.48 4.85 -0.87 0.24 -0.85 114.94 124.69 1qba s ASN 637 Ca -0.11 0.20 -0.23 0.00 -1.57 0.00 0.00 52.86 51.15 1qba s ASN 637 Cb -0.15 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.59 1qba s ASN 637 CO 0.04 -1.32 0.79 0.12 -2.57 0.00 0.00 177.10 174.16 1qba s PHE 638 N 4.54 2.96 -0.18 2.20 5.36 -0.30 -2.32 117.98 130.25 1qba s PHE 638 Ca 0.43 0.05 0.13 0.00 -0.96 0.00 0.00 56.93 56.58 1qba s PHE 638 Cb -0.08 -3.72 0.42 0.00 -0.34 0.00 0.00 43.02 39.30 1qba s PHE 638 CO 0.27 -1.06 1.21 -2.67 -1.46 0.00 0.00 175.22 171.52 1qba n TRP 639 N 6.79 0.00 -2.53 10.12 4.27 -1.26 -1.21 117.44 133.62 1qba n TRP 639 Ca 0.01 -1.34 -0.32 0.00 -3.89 0.00 0.00 57.50 51.96 1qba n TRP 639 Cb 0.48 -0.23 -0.04 0.00 -1.36 0.00 0.00 31.31 30.15 1qba n TRP 639 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1qba s ASP 640 N -3.05 6.70 0.44 -0.67 1.01 -1.26 -4.46 116.67 115.38 1qba s ASP 640 Ca 0.37 1.58 -0.11 0.00 0.71 0.00 0.00 52.55 55.10 1qba s ASP 640 Cb 0.37 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.73 1qba s ASP 640 CO -0.08 -0.52 0.82 0.42 0.21 0.00 0.00 175.17 176.02 1qba s THR 641 N -2.50 4.76 -0.02 -1.27 -4.23 -1.26 -4.46 115.64 106.67 1qba s THR 641 Ca 0.59 0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 61.55 1qba s THR 641 Cb -0.10 -3.75 -0.20 0.00 1.34 0.00 0.00 72.50 69.79 1qba s THR 641 CO 0.27 -0.61 1.16 -0.07 -0.54 0.00 0.00 174.62 174.83 1qba h LEU 642 N 1.02 0.25 -2.19 4.79 3.38 -1.94 -0.22 115.31 120.40 1qba h LEU 642 Ca -0.47 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 56.86 1qba h LEU 642 Cb 1.19 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1qba h LEU 642 CO 0.63 0.85 -0.01 0.10 0.09 0.00 0.00 178.44 180.11 1qba h TYR 643 N -0.33 0.00 -0.00 1.13 -0.00 -1.95 0.13 116.97 115.95 1qba h TYR 643 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 1qba h TYR 643 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.57 1qba h TYR 643 CO 0.14 0.01 -0.12 1.87 -0.00 0.00 0.00 178.16 180.05 1qba n TRP 644 N -3.11 0.00 0.00 0.10 -0.00 -1.23 -4.91 117.44 108.28 1qba n TRP 644 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1qba n TRP 644 Cb 0.19 -0.38 0.00 0.00 -0.00 0.00 0.00 31.31 31.12 1qba n TRP 644 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1qba n GLY 645 N 1.45 0.39 0.34 5.87 0.00 0.44 -5.02 105.19 108.66 1qba n GLY 645 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 1qba n GLY 645 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qba h GLY 646 N 0.00 0.08 2.00 -0.02 0.00 -0.96 -0.87 103.07 103.29 1qba h GLY 646 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1qba h GLY 646 CO 0.00 0.01 0.00 0.27 0.00 0.00 0.00 176.54 176.82 1qba h PHE 647 N 0.05 0.00 0.00 5.60 -5.15 -1.80 -2.43 116.94 113.22 1qba h PHE 647 Ca 0.18 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.77 1qba h PHE 647 Cb 0.67 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.80 1qba h PHE 647 CO -0.00 0.00 -1.70 -3.47 -2.00 0.00 0.00 178.31 171.14 1qba n ASP 648 N -3.01 2.54 0.19 -0.68 2.03 -0.38 -4.64 116.55 112.59 1qba n ASP 648 Ca -0.02 -0.01 0.07 0.00 0.52 0.00 0.00 54.79 55.35 1qba n ASP 648 Cb 0.10 0.66 0.26 0.00 -0.72 0.00 0.00 41.12 41.42 1qba n ASP 648 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1qba h SER 649 N 0.00 0.00 -0.39 1.67 4.64 -1.35 -3.22 113.55 114.89 1qba h SER 649 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1qba h SER 649 Cb 1.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.68 1qba h SER 649 CO 0.01 0.30 0.20 1.62 -0.87 0.00 0.00 176.83 178.09 1qba h VAL 650 N 0.00 1.16 -0.71 0.95 3.04 -1.70 -2.98 116.25 116.00 1qba h VAL 650 Ca -0.00 -0.45 0.04 0.00 -1.01 0.00 0.00 66.70 65.27 1qba h VAL 650 Cb 1.02 0.61 -0.05 0.00 -2.01 0.00 0.00 31.29 30.87 1qba h VAL 650 CO 0.04 0.18 0.44 0.78 -1.01 0.00 0.00 177.57 178.00 1qba h ASN 651 N 0.61 0.71 -0.94 3.17 4.21 -1.85 -2.07 115.58 119.42 1qba h ASN 651 Ca 0.15 0.01 0.12 0.00 1.21 0.00 0.00 56.30 57.79 1qba h ASN 651 Cb 0.09 -0.14 -0.07 0.00 -1.12 0.00 0.00 38.32 37.07 1qba h ASN 651 CO -0.02 0.48 0.60 0.44 -1.29 0.00 0.00 177.43 177.64 1qba h ASP 652 N 0.84 0.81 -0.10 5.81 3.32 -1.70 -0.33 116.42 125.08 1qba h ASP 652 Ca 0.29 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1qba h ASP 652 Cb 0.06 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1qba h ASP 652 CO -0.13 0.44 -0.03 -0.50 -1.72 0.00 0.00 179.24 177.31 1qba h TRP 653 N 0.88 0.22 -0.85 4.55 4.06 -1.49 -2.18 115.95 121.13 1qba h TRP 653 Ca 0.46 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 61.34 1qba h TRP 653 Cb 0.53 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.60 1qba h TRP 653 CO -0.00 0.51 0.44 0.00 -3.56 0.00 0.00 178.44 175.82 1qba h ALA 654 N 0.68 1.16 0.00 1.49 0.00 -1.34 -2.38 119.26 118.87 1qba h ALA 654 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qba h ALA 654 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qba h ALA 654 CO 0.01 0.65 0.00 0.09 0.00 0.00 0.00 179.25 180.00 1qba n ASN 655 N -4.32 0.35 -0.94 0.00 3.02 -0.17 -2.36 115.26 110.84 1qba n ASN 655 Ca 0.09 0.55 0.10 0.00 -0.03 0.00 0.00 54.58 55.29 1qba n ASN 655 Cb 0.12 -0.64 0.27 0.00 -0.61 0.00 0.00 39.78 38.92 1qba n ASN 655 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qba n LYS 656 N -1.85 2.21 -0.22 3.52 5.02 -0.83 -4.94 118.16 121.08 1qba n LYS 656 Ca 0.05 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1qba n LYS 656 Cb 0.31 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1qba n LYS 656 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qba n GLY 657 N 1.36 0.65 3.81 0.72 0.00 -0.99 -1.56 105.19 109.18 1qba n GLY 657 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1qba n GLY 657 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qba s TYR 658 N -2.48 3.31 -0.43 1.61 2.02 -1.02 -4.77 117.35 115.60 1qba s TYR 658 Ca 0.00 1.63 -0.24 0.00 -0.37 0.00 0.00 57.07 58.09 1qba s TYR 658 Cb 0.00 -2.91 0.02 0.00 -0.40 0.00 0.00 41.96 38.67 1qba s TYR 658 CO 0.00 -0.20 0.85 -1.21 -1.57 0.00 0.00 175.55 173.42 1qba s GLU 659 N -3.00 3.56 -0.28 -0.62 2.02 -0.16 -4.26 118.70 115.98 1qba s GLU 659 Ca 0.61 0.14 -0.25 0.00 0.02 0.00 0.00 54.97 55.49 1qba s GLU 659 Cb -0.12 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.21 1qba s GLU 659 CO 0.16 -1.09 0.85 0.08 0.02 0.00 0.00 175.26 175.28 1qba s VAL 660 N 3.45 4.78 -0.52 2.63 1.01 -1.26 -1.10 120.40 129.38 1qba s VAL 660 Ca 0.34 1.45 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 1qba s VAL 660 Cb -0.11 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.22 1qba s VAL 660 CO 0.23 -0.19 0.47 -0.69 0.00 0.00 0.00 175.10 174.91 1qba s VAL 661 N 2.99 5.06 -0.08 2.92 1.01 -0.03 -1.36 120.40 130.91 1qba s VAL 661 Ca 0.35 -1.50 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 1qba s VAL 661 Cb -0.14 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1qba s VAL 661 CO 0.10 -0.82 1.99 -0.69 0.00 0.00 0.00 175.10 175.68 1qba s VAL 662 N 1.57 3.13 -0.05 2.92 1.01 -0.50 -1.15 120.40 127.33 1qba s VAL 662 Ca 0.03 0.14 0.17 0.00 0.00 0.00 0.00 61.98 62.33 1qba s VAL 662 Cb -0.29 -3.12 0.32 0.00 0.00 0.00 0.00 36.38 33.29 1qba s VAL 662 CO 0.03 -0.04 1.14 -1.20 0.00 0.00 0.00 175.10 175.02 1qba n SER 663 N 8.99 0.99 -4.67 3.32 7.64 -0.35 -1.61 113.62 127.92 1qba n SER 663 Ca 0.23 -2.41 -0.52 0.00 1.01 0.00 0.00 58.87 57.18 1qba n SER 663 Cb 0.43 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 1qba n SER 663 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qba n ASN 664 N -0.04 2.69 0.17 6.43 4.13 -1.16 -4.59 115.26 122.89 1qba n ASN 664 Ca 0.08 1.05 0.06 0.00 1.68 0.00 0.00 54.58 57.44 1qba n ASN 664 Cb 0.93 -1.26 0.53 0.00 -1.54 0.00 0.00 39.78 38.44 1qba n ASN 664 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1qba h PRO 665 N 7.20 0.18 0.00 3.52 0.10 -1.78 -1.07 132.00 140.15 1qba h PRO 665 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1qba h PRO 665 Cb 1.30 -0.04 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1qba h PRO 665 CO 0.91 0.17 0.00 -0.40 0.10 0.00 0.00 178.00 178.78 1qba n ASP 666 N -4.46 0.00 0.00 -2.05 5.75 -1.26 -3.73 116.55 110.79 1qba n ASP 666 Ca -0.01 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 1qba n ASP 666 Cb 0.12 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1qba n ASP 666 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qba n TYR 667 N -1.44 0.00 -1.20 2.11 4.02 -0.84 -4.87 117.16 114.94 1qba n TYR 667 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.03 1qba n TYR 667 Cb 0.17 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.64 1qba n TYR 667 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1qba n VAL 668 N -1.88 1.87 -3.16 -0.72 0.24 -0.46 -4.61 118.33 109.61 1qba n VAL 668 Ca 0.00 -2.36 -0.41 0.00 -2.04 0.00 0.00 64.34 59.53 1qba n VAL 668 Cb 0.24 -0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.33 1qba n VAL 668 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1qba s TYR 669 N -2.83 3.18 -2.20 6.34 1.51 -1.24 -1.21 117.35 120.89 1qba s TYR 669 Ca 0.32 0.37 0.20 0.00 -1.01 0.00 0.00 57.07 56.96 1qba s TYR 669 Cb 0.29 -3.02 0.85 0.00 -0.11 0.00 0.00 41.96 39.97 1qba s TYR 669 CO 0.01 -0.55 1.60 -1.33 -1.11 0.00 0.00 175.55 174.17 1qba n MET 670 N 5.89 1.53 -0.01 -0.62 2.81 0.84 -3.28 117.12 124.27 1qba n MET 670 Ca -0.02 -0.79 0.13 0.00 -1.81 0.00 0.00 57.70 55.21 1qba n MET 670 Cb 0.49 -1.37 0.42 0.00 -0.71 0.00 0.00 33.22 32.05 1qba n MET 670 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1qba n ASP 671 N 0.01 1.86 -4.93 7.83 5.75 -1.24 -4.60 116.55 121.23 1qba n ASP 671 Ca 0.16 -1.63 -0.26 0.00 -0.01 0.00 0.00 54.79 53.05 1qba n ASP 671 Cb 0.26 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 1qba n ASP 671 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1qba s PHE 672 N -1.96 3.49 0.60 2.11 0.08 -1.21 -0.77 117.98 120.32 1qba s PHE 672 Ca 0.35 0.39 -0.16 0.00 0.12 0.00 0.00 56.93 57.63 1qba s PHE 672 Cb 0.20 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1qba s PHE 672 CO 0.32 0.23 1.07 -2.14 -0.10 0.00 0.00 175.22 174.60 1qba s PRO 673 N -3.83 3.24 0.22 0.24 0.02 -1.24 -4.80 135.00 128.85 1qba s PRO 673 Ca 0.40 1.29 0.09 0.00 0.02 0.00 0.00 61.00 62.80 1qba s PRO 673 Cb -0.10 -2.02 0.16 0.00 0.02 0.00 0.00 34.50 32.57 1qba s PRO 673 CO 0.32 -0.89 1.50 1.88 -0.33 0.00 0.00 177.00 179.49 1qba h TYR 674 N 0.49 0.03 -3.23 6.54 -1.99 -1.79 -0.11 116.97 116.92 1qba h TYR 674 Ca -0.47 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.21 1qba h TYR 674 Cb 1.23 -0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.84 1qba h TYR 674 CO 0.57 0.76 0.06 -1.83 -0.00 0.00 0.00 178.16 177.71 1qba s GLU 675 N -3.33 1.24 -0.92 4.88 -1.05 -1.26 -3.55 118.70 114.70 1qba s GLU 675 Ca -0.01 -0.67 -0.23 0.00 -0.15 0.00 0.00 54.97 53.91 1qba s GLU 675 Cb 0.12 0.53 0.07 0.00 -0.44 0.00 0.00 34.13 34.40 1qba s GLU 675 CO 0.78 -0.52 1.31 0.08 0.95 0.00 0.00 175.26 177.87 1qba s VAL 676 N -3.81 4.10 -0.28 1.83 1.01 -1.26 -4.84 120.40 117.15 1qba s VAL 676 Ca 0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1qba s VAL 676 Cb -0.00 -4.94 0.11 0.00 0.00 0.00 0.00 36.38 31.54 1qba s VAL 676 CO -0.10 -1.79 0.64 0.21 0.00 0.00 0.00 175.10 174.07 1qba s ASN 677 N 4.37 -1.00 0.25 3.32 3.84 -1.26 -1.03 114.94 123.43 1qba s ASN 677 Ca 0.39 1.50 0.18 0.00 0.21 0.00 0.00 52.86 55.14 1qba s ASN 677 Cb -0.04 1.84 0.93 0.00 -0.55 0.00 0.00 41.25 43.42 1qba s ASN 677 CO -0.04 -0.23 1.55 -2.65 -2.79 0.00 0.00 177.10 172.94 1qba n PRO 678 N 4.95 0.12 -0.09 0.43 -0.02 -1.26 -1.19 135.00 137.94 1qba n PRO 678 Ca -0.15 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1qba n PRO 678 Cb 0.53 -1.85 0.30 0.00 -0.02 0.00 0.00 33.50 32.46 1qba n PRO 678 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1qba n ASP 679 N -2.10 2.42 -4.86 2.55 8.00 -1.26 -1.35 116.55 119.95 1qba n ASP 679 Ca -0.00 -1.82 -0.31 0.00 0.71 0.00 0.00 54.79 53.37 1qba n ASP 679 Cb 0.06 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 1qba n ASP 679 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qba s GLU 680 N -1.76 3.87 0.21 -1.24 0.41 -0.33 -4.97 118.70 114.88 1qba s GLU 680 Ca 0.34 0.67 -0.19 0.00 -0.41 0.00 0.00 54.97 55.38 1qba s GLU 680 Cb 0.20 -2.30 -0.08 0.00 -1.78 0.00 0.00 34.13 30.17 1qba s GLU 680 CO 0.30 -0.10 0.70 0.50 -0.49 0.00 0.00 175.26 176.17 1qba s ARG 681 N -3.82 4.20 0.00 1.61 3.52 -1.26 -4.54 118.95 118.66 1qba s ARG 681 Ca 0.54 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 1qba s ARG 681 Cb -0.10 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1qba s ARG 681 CO 0.29 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 1qba n GLY 682 N 0.70 3.92 3.91 8.12 0.00 -1.26 -3.91 105.19 116.67 1qba n GLY 682 Ca -0.03 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1qba n GLY 682 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qba s TYR 683 N -2.29 2.85 0.00 1.61 1.51 0.05 -4.77 117.35 116.32 1qba s TYR 683 Ca 0.00 0.65 0.02 0.00 -1.01 0.00 0.00 57.07 56.73 1qba s TYR 683 Cb 0.00 -3.47 0.02 0.00 -0.11 0.00 0.00 41.96 38.40 1qba s TYR 683 CO 0.00 -1.76 0.94 2.48 -1.11 0.00 0.00 175.55 176.11 1qba n TYR 684 N -3.26 0.00 0.11 2.71 4.11 -1.26 -3.64 117.16 115.93 1qba n TYR 684 Ca 0.08 -0.43 -0.02 0.00 -0.00 0.00 0.00 57.90 57.54 1qba n TYR 684 Cb 0.61 0.42 0.21 0.00 -0.00 0.00 0.00 39.34 40.58 1qba n TYR 684 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 1qba h TRP 685 N 0.06 0.19 0.00 -3.48 5.08 -1.98 -3.28 115.95 112.54 1qba h TRP 685 Ca -0.47 -0.06 -0.15 0.00 1.08 0.00 0.00 58.89 59.30 1qba h TRP 685 Cb 1.38 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 27.48 1qba h TRP 685 CO -0.18 0.62 -1.27 0.78 -1.28 0.00 0.00 178.44 177.11 1qba h GLY 686 N 1.38 0.00 -3.43 11.11 0.00 -1.93 -3.49 103.07 106.72 1qba h GLY 686 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.46 1qba h GLY 686 CO 0.07 0.00 0.52 -1.08 0.00 0.00 0.00 176.54 176.05 1qba s THR 687 N -2.97 0.00 -0.11 4.70 -1.32 -1.24 -4.38 115.64 110.33 1qba s THR 687 Ca -0.02 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.60 1qba s THR 687 Cb 0.09 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1qba s THR 687 CO 0.80 0.00 1.30 -0.09 -2.21 0.00 0.00 174.62 174.43 1qba h ARG 688 N 2.02 0.00 -2.29 7.08 9.65 -1.77 -3.41 114.38 125.67 1qba h ARG 688 Ca -0.21 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1qba h ARG 688 Cb 1.23 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 29.64 1qba h ARG 688 CO 0.30 0.54 0.26 -0.59 2.80 0.00 0.00 179.97 183.28 1qba s PHE 689 N -2.91 -0.57 -0.29 2.20 -0.71 -1.26 -4.40 117.98 110.04 1qba s PHE 689 Ca 0.02 0.76 0.00 0.00 -1.04 0.00 0.00 56.93 56.68 1qba s PHE 689 Cb 0.08 0.47 0.14 0.00 -1.21 0.00 0.00 43.02 42.51 1qba s PHE 689 CO 0.77 -0.65 0.34 0.45 -1.34 0.00 0.00 175.22 174.79 1qba s SER 690 N -1.77 1.14 0.69 1.98 0.15 -0.05 -4.97 113.70 110.87 1qba s SER 690 Ca -0.05 -0.58 -0.01 0.00 0.70 0.00 0.00 55.95 56.00 1qba s SER 690 Cb -0.00 0.75 0.12 0.00 -1.71 0.00 0.00 66.02 65.18 1qba s SER 690 CO 0.01 -0.37 0.81 -0.90 1.20 0.00 0.00 173.24 173.98 1qba n ASP 691 N 5.33 0.99 -0.34 5.45 5.68 -1.23 -4.31 116.55 128.12 1qba n ASP 691 Ca -0.01 -1.86 0.01 0.00 -0.50 0.00 0.00 54.79 52.43 1qba n ASP 691 Cb 0.48 -0.53 0.15 0.00 -1.14 0.00 0.00 41.12 40.07 1qba n ASP 691 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1qba h GLU 692 N 0.00 1.05 -0.29 0.11 3.07 -1.91 -1.83 114.58 114.76 1qba h GLU 692 Ca -0.27 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.49 1qba h GLU 692 Cb 0.96 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1qba h GLU 692 CO 0.28 0.69 0.01 -0.09 -1.40 0.00 0.00 179.01 178.50 1qba h ARG 693 N 1.08 0.51 -0.38 2.33 2.43 -1.95 -1.69 114.38 116.71 1qba h ARG 693 Ca 0.40 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1qba h ARG 693 Cb 0.14 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1qba h ARG 693 CO -0.17 0.65 0.13 -0.22 -1.51 0.00 0.00 179.97 178.86 1qba h LYS 694 N 0.31 0.58 -0.60 0.20 3.64 -1.81 -1.87 116.57 117.01 1qba h LYS 694 Ca 0.08 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1qba h LYS 694 Cb 0.42 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1qba h LYS 694 CO 0.01 0.57 0.37 0.28 -2.27 0.00 0.00 179.45 178.41 1qba h VAL 695 N 0.46 1.07 -0.74 2.00 2.07 -1.32 -2.64 116.25 117.14 1qba h VAL 695 Ca 0.12 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1qba h VAL 695 Cb 0.23 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1qba h VAL 695 CO -0.01 0.13 0.44 0.15 0.02 0.00 0.00 177.57 178.30 1qba h PHE 696 N 0.72 0.97 0.00 1.57 3.04 -1.12 -2.78 116.94 119.34 1qba h PHE 696 Ca 0.24 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1qba h PHE 696 Cb 0.03 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.22 1qba h PHE 696 CO -0.06 0.65 0.00 -1.13 -2.02 0.00 0.00 178.31 175.76 1qba n SER 697 N -4.38 0.00 -4.71 0.41 3.41 -0.72 -4.82 113.62 102.81 1qba n SER 697 Ca 0.08 0.43 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 1qba n SER 697 Cb 0.07 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 1qba n SER 697 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qba s PHE 698 N -2.95 3.02 -0.60 7.33 5.36 -1.05 -4.97 117.98 124.12 1qba s PHE 698 Ca 0.14 0.75 -0.08 0.00 -0.96 0.00 0.00 56.93 56.78 1qba s PHE 698 Cb 0.17 -3.79 0.15 0.00 -0.34 0.00 0.00 43.02 39.21 1qba s PHE 698 CO 0.46 -2.91 0.46 0.00 -1.46 0.00 0.00 175.22 171.77 1qba s ALA 699 N 1.51 3.59 -0.36 11.12 0.00 -1.26 -4.98 121.76 131.38 1qba s ALA 699 Ca 0.67 -2.94 0.27 0.00 0.00 0.00 0.00 51.96 49.96 1qba s ALA 699 Cb -0.39 -2.90 0.85 0.00 0.00 0.00 0.00 23.12 20.68 1qba s ALA 699 CO 0.30 -2.05 1.77 -1.00 0.00 0.00 0.00 175.76 174.79 1qba h PRO 700 N 7.82 0.00 -0.02 0.00 0.13 -1.94 -3.28 132.00 134.71 1qba h PRO 700 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1qba h PRO 700 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1qba h PRO 700 CO 0.78 0.00 -0.16 -3.47 -0.23 0.00 0.00 178.00 174.92 1qba n ASP 701 N -2.76 2.34 -3.09 1.44 -0.08 -1.26 -4.51 116.55 108.63 1qba n ASP 701 Ca 0.03 -1.67 -0.20 0.00 -1.51 0.00 0.00 54.79 51.44 1qba n ASP 701 Cb 0.39 0.19 -0.04 0.00 2.34 0.00 0.00 41.12 44.00 1qba n ASP 701 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1qba n ASN 702 N 0.66 -0.56 -0.28 1.67 5.15 -1.24 -4.58 115.26 116.08 1qba n ASN 702 Ca 0.10 -2.84 0.12 0.00 -0.60 0.00 0.00 54.58 51.37 1qba n ASN 702 Cb 0.46 -0.05 0.37 0.00 -0.53 0.00 0.00 39.78 40.03 1qba n ASN 702 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1qba h MET 703 N 4.01 0.68 -0.48 1.20 2.86 -1.79 -2.23 114.93 119.18 1qba h MET 703 Ca 0.02 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1qba h MET 703 Cb 0.92 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1qba h MET 703 CO 0.43 0.45 0.33 -1.35 1.06 0.00 0.00 176.91 177.82 1qba h PRO 704 N 0.70 0.29 0.00 -0.22 0.11 -1.90 -2.78 132.00 128.20 1qba h PRO 704 Ca 0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.54 1qba h PRO 704 Cb 0.74 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1qba h PRO 704 CO -0.22 0.19 -0.04 -0.56 -0.21 0.00 0.00 178.00 177.16 1qba h GLN 705 N 0.30 0.00 0.00 1.05 3.07 -1.74 -2.57 115.11 115.22 1qba h GLN 705 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 1qba h GLN 705 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1qba h GLN 705 CO -0.05 0.04 0.00 0.09 0.09 0.00 0.00 178.83 179.01 1qba n ASN 706 N -3.28 0.61 0.24 0.06 3.02 -1.05 -1.81 115.26 113.05 1qba n ASN 706 Ca -0.01 0.75 0.09 0.00 -0.03 0.00 0.00 54.58 55.38 1qba n ASN 706 Cb 0.21 -0.84 0.59 0.00 -0.61 0.00 0.00 39.78 39.13 1qba n ASN 706 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qba h ALA 707 N 2.06 1.31 0.00 5.41 0.00 -1.68 -2.07 119.26 124.29 1qba h ALA 707 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qba h ALA 707 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qba h ALA 707 CO 0.00 0.24 -0.70 0.93 0.00 0.00 0.00 179.25 179.72 1qba h GLU 708 N 0.00 0.00 -0.01 0.00 5.08 -1.60 -3.16 114.58 114.89 1qba h GLU 708 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qba h GLU 708 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1qba h GLU 708 CO 0.03 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.29 1qba n THR 709 N -2.17 0.65 -3.96 1.13 -2.24 -0.83 -4.80 114.28 102.06 1qba n THR 709 Ca 0.03 -0.83 -0.09 0.00 -2.27 0.00 0.00 64.05 60.89 1qba n THR 709 Cb 0.45 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1qba n THR 709 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qba s SER 710 N -0.67 -0.10 0.24 3.42 1.04 -0.92 -5.05 113.70 111.66 1qba s SER 710 Ca 0.01 -0.86 0.10 0.00 0.48 0.00 0.00 55.95 55.67 1qba s SER 710 Cb 0.01 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1qba s SER 710 CO 0.01 -1.11 -0.17 0.68 0.98 0.00 0.00 173.24 173.62 1qba s VAL 711 N -3.99 2.09 0.49 5.02 -7.23 -1.26 -4.68 120.40 110.84 1qba s VAL 711 Ca 0.20 -2.31 -0.08 0.00 -1.81 0.00 0.00 61.98 57.98 1qba s VAL 711 Cb -0.00 -2.17 0.12 0.00 0.56 0.00 0.00 36.38 34.89 1qba s VAL 711 CO 0.07 -0.50 0.52 -0.90 -0.31 0.00 0.00 175.10 173.97 1qba n ASP 712 N -0.50 -0.89 0.23 4.85 5.68 -0.11 -4.84 116.55 120.98 1qba n ASP 712 Ca -0.07 -0.95 0.16 0.00 -0.50 0.00 0.00 54.79 53.43 1qba n ASP 712 Cb 0.60 -0.44 0.71 0.00 -1.14 0.00 0.00 41.12 40.85 1qba n ASP 712 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1qba h ARG 713 N 0.00 0.00 -0.44 0.11 0.11 -1.89 -1.61 114.38 110.66 1qba h ARG 713 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 1qba h ARG 713 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1qba h ARG 713 CO 0.12 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.94 1qba n ASP 714 N -2.71 4.16 -0.13 0.08 8.00 -1.26 -4.09 116.55 120.60 1qba n ASP 714 Ca 0.00 -2.60 -0.02 0.00 0.71 0.00 0.00 54.79 52.89 1qba n ASP 714 Cb 0.20 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 1qba n ASP 714 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qba n GLY 715 N 0.37 0.52 3.87 0.44 0.00 -0.61 -0.60 105.19 109.18 1qba n GLY 715 Ca 0.21 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1qba n GLY 715 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qba s ASN 716 N -2.37 6.67 0.63 1.61 0.02 -1.26 -4.70 114.94 115.54 1qba s ASN 716 Ca 0.00 1.04 -0.16 0.00 -1.02 0.00 0.00 52.86 52.72 1qba s ASN 716 Cb 0.00 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 38.98 1qba s ASN 716 CO 0.00 -0.12 1.09 -1.00 0.02 0.00 0.00 177.10 177.09 1qba s HIS 717 N -1.89 2.77 0.25 2.20 3.76 -1.26 -0.94 115.29 120.19 1qba s HIS 717 Ca 0.50 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 56.95 1qba s HIS 717 Cb -0.11 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1qba s HIS 717 CO 0.20 -1.45 0.13 -0.59 -0.85 0.00 0.00 174.74 172.18 1qba s PHE 718 N -2.35 1.43 0.15 1.40 -0.71 -1.26 -4.88 117.98 111.76 1qba s PHE 718 Ca 0.66 -1.32 0.11 0.00 -1.04 0.00 0.00 56.93 55.34 1qba s PHE 718 Cb -0.19 -0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 40.82 1qba s PHE 718 CO 0.39 -0.51 -0.24 -0.80 -1.34 0.00 0.00 175.22 172.72 1qba s ASN 719 N -3.28 3.49 -0.17 1.98 0.01 -1.26 -0.64 114.94 115.08 1qba s ASN 719 Ca 0.38 -0.74 -0.15 0.00 -0.71 0.00 0.00 52.86 51.64 1qba s ASN 719 Cb 0.07 -0.31 0.05 0.00 0.41 0.00 0.00 41.25 41.46 1qba s ASN 719 CO 0.15 0.16 0.45 0.00 -1.51 0.00 0.00 177.10 176.35 1qba s ALA 720 N -1.25 -1.12 -0.08 0.60 0.00 0.06 -5.01 121.76 114.96 1qba s ALA 720 Ca 0.17 1.31 -0.28 0.00 0.00 0.00 0.00 51.96 53.16 1qba s ALA 720 Cb -0.10 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.32 1qba s ALA 720 CO 0.08 -0.22 0.64 0.21 0.00 0.00 0.00 175.76 176.47 1qba s LYS 721 N 0.37 0.97 -0.01 0.00 2.36 -1.26 -1.07 119.74 121.10 1qba s LYS 721 Ca -0.01 0.32 -0.01 0.00 -2.55 0.00 0.00 55.97 53.72 1qba s LYS 721 Cb -0.04 0.46 0.00 0.00 -1.05 0.00 0.00 37.83 37.20 1qba s LYS 721 CO -0.01 -0.27 0.03 0.45 1.55 0.00 0.00 175.35 177.10 1qba s SER 722 N -0.95 -0.00 0.00 1.43 0.15 -1.26 -4.64 113.70 108.42 1qba s SER 722 Ca -0.09 -0.00 0.20 0.00 0.70 0.00 0.00 55.95 56.75 1qba s SER 722 Cb -0.01 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1qba s SER 722 CO 0.08 -0.06 0.98 0.47 1.20 0.00 0.00 173.24 175.91 1qba n ASP 723 N 2.83 1.82 -4.87 5.45 8.00 -1.26 -0.24 116.55 128.28 1qba n ASP 723 Ca -0.14 -1.41 -0.31 0.00 0.71 0.00 0.00 54.79 53.64 1qba n ASP 723 Cb 0.59 0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 42.15 1qba n ASP 723 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qba s LYS 724 N -2.25 3.83 0.44 -1.24 1.02 -1.26 -4.67 119.74 115.62 1qba s LYS 724 Ca 0.16 0.57 -0.25 0.00 0.02 0.00 0.00 55.97 56.46 1qba s LYS 724 Cb 0.16 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 35.03 1qba s LYS 724 CO 0.51 -0.05 1.39 -1.25 -0.92 0.00 0.00 175.35 175.03 1qba s PRO 725 N -3.78 3.73 -0.22 -1.68 0.05 -1.26 -4.71 135.00 127.13 1qba s PRO 725 Ca 0.53 2.34 -0.03 0.00 0.05 0.00 0.00 61.00 63.89 1qba s PRO 725 Cb -0.10 -2.66 0.07 0.00 0.05 0.00 0.00 34.50 31.86 1qba s PRO 725 CO 0.30 -0.76 0.06 -0.46 0.05 0.00 0.00 177.00 176.19 1qba s TRP 726 N -1.23 1.00 -0.39 0.56 -0.00 -1.26 -4.82 118.94 112.81 1qba s TRP 726 Ca 0.61 -0.97 0.26 0.00 -0.00 0.00 0.00 56.10 55.99 1qba s TRP 726 Cb -0.42 -1.11 0.70 0.00 -0.00 0.00 0.00 33.47 32.64 1qba s TRP 726 CO 0.54 -0.68 1.73 -1.00 -0.00 0.00 0.00 176.95 177.54 1qba h PRO 727 N 8.25 0.00 0.00 5.86 0.13 -1.94 -3.49 132.00 140.81 1qba h PRO 727 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qba h PRO 727 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qba h PRO 727 CO 0.37 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.55 1qba n GLY 728 N 0.83 3.02 3.84 1.56 0.00 -1.26 -5.08 105.19 108.10 1qba n GLY 728 Ca 0.03 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1qba n GLY 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qba s ALA 729 N -2.94 3.21 -0.03 4.61 0.00 -1.26 -4.79 121.76 120.55 1qba s ALA 729 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.19 1qba s ALA 729 Cb 0.00 -2.91 -0.23 0.00 0.00 0.00 0.00 23.12 19.97 1qba s ALA 729 CO 0.00 0.17 0.70 -0.92 0.00 0.00 0.00 175.76 175.71 1qba h TYR 730 N 1.88 0.07 -2.42 0.00 3.20 -1.56 -3.48 116.97 114.66 1qba h TYR 730 Ca -0.48 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.40 1qba h TYR 730 Cb 1.18 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1qba h TYR 730 CO 0.62 1.09 0.33 0.41 -1.64 0.00 0.00 178.16 178.98 1qba n GLY 731 N 1.58 0.98 2.93 1.82 0.00 -0.95 -3.61 105.19 107.94 1qba n GLY 731 Ca -0.17 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1qba n GLY 731 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qba s LEU 732 N 0.00 1.88 -0.01 0.99 2.96 -0.73 -1.41 118.68 122.36 1qba s LEU 732 Ca 0.14 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1qba s LEU 732 Cb -0.03 -0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.41 1qba s LEU 732 CO 0.05 0.03 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.54 1qba s SER 733 N 0.07 0.41 -0.14 3.68 0.15 -0.64 -0.71 113.70 116.52 1qba s SER 733 Ca -0.00 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 1qba s SER 733 Cb -0.04 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1qba s SER 733 CO -0.00 0.01 -0.06 0.00 1.20 0.00 0.00 173.24 174.38 1qba s ALA 734 N 0.18 2.90 -0.14 5.45 0.00 -0.85 -4.43 121.76 124.87 1qba s ALA 734 Ca -0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1qba s ALA 734 Cb -0.04 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1qba s ALA 734 CO -0.00 0.25 -0.01 -0.65 0.00 0.00 0.00 175.76 175.34 1qba s GLN 735 N 0.28 3.51 -0.47 0.00 1.11 -0.35 -0.78 119.66 122.96 1qba s GLN 735 Ca -0.05 -0.46 -0.04 0.00 0.01 0.00 0.00 55.36 54.82 1qba s GLN 735 Cb -0.14 -2.92 0.12 0.00 -1.01 0.00 0.00 33.01 29.06 1qba s GLN 735 CO 0.04 0.38 0.28 -1.17 0.01 0.00 0.00 175.29 174.83 1qba s LEU 736 N -0.01 5.33 0.31 2.90 1.98 0.11 -0.11 118.68 129.20 1qba s LEU 736 Ca 0.02 -2.20 -0.24 0.00 -2.89 0.00 0.00 54.13 48.83 1qba s LEU 736 Cb -0.13 -1.86 -0.10 0.00 0.66 0.00 0.00 46.19 44.76 1qba s LEU 736 CO 0.02 -0.53 0.89 0.26 -1.89 0.00 0.00 176.35 175.10 1qba s TRP 737 N 0.91 3.63 -0.26 5.38 0.52 -1.26 -1.38 118.94 126.48 1qba s TRP 737 Ca 0.10 1.66 0.16 0.00 0.02 0.00 0.00 56.10 58.04 1qba s TRP 737 Cb -0.23 -2.84 0.49 0.00 -1.15 0.00 0.00 33.47 29.74 1qba s TRP 737 CO -0.04 0.20 1.39 0.43 0.02 0.00 0.00 176.95 178.95 1qba n SER 738 N 0.43 3.68 -0.18 2.95 7.64 -1.26 -4.64 113.62 122.24 1qba n SER 738 Ca 0.02 -2.90 -0.04 0.00 1.01 0.00 0.00 58.87 56.96 1qba n SER 738 Cb 0.51 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 63.24 1qba n SER 738 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1qba h GLU 739 N 1.72 -0.11 -0.38 1.43 3.07 -1.95 -1.92 114.58 116.44 1qba h GLU 739 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qba h GLU 739 Cb 1.33 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1qba h GLU 739 CO 0.18 -0.07 0.00 0.25 -1.40 0.00 0.00 179.01 177.97 1qba n THR 740 N -5.43 0.73 -3.21 1.13 -2.24 -1.26 -4.70 114.28 99.30 1qba n THR 740 Ca 0.05 -0.86 -0.45 0.00 -2.27 0.00 0.00 64.05 60.52 1qba n THR 740 Cb 0.34 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1qba n THR 740 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qba n GLN 741 N 0.99 3.67 0.18 -0.78 3.00 -0.72 -4.83 117.38 118.90 1qba n GLN 741 Ca 0.15 -4.37 0.07 0.00 -0.01 0.00 0.00 57.00 52.83 1qba n GLN 741 Cb 0.49 -2.62 0.20 0.00 0.00 0.00 0.00 30.24 28.31 1qba n GLN 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qba h ARG 742 N 6.49 0.00 -5.60 -1.09 3.08 -1.84 -3.45 114.38 111.97 1qba h ARG 742 Ca 0.21 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.73 1qba h ARG 742 Cb 0.82 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.74 1qba h ARG 742 CO 1.11 0.32 -0.67 0.95 -1.07 0.00 0.00 179.97 180.61 1qba s THR 743 N -3.24 1.77 0.13 2.04 -4.23 -1.26 -4.85 115.64 106.00 1qba s THR 743 Ca 0.03 -2.14 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 1qba s THR 743 Cb 0.08 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1qba s THR 743 CO 0.69 -0.27 1.57 0.44 -0.54 0.00 0.00 174.62 176.51 1qba h ASP 744 N 2.21 0.75 -0.33 3.99 3.32 -1.89 -2.37 116.42 122.11 1qba h ASP 744 Ca -0.40 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 1qba h ASP 744 Cb 1.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1qba h ASP 744 CO 0.68 0.89 0.19 -0.65 -1.72 0.00 0.00 179.24 178.63 1qba h PRO 745 N 0.59 0.47 -0.46 3.56 0.11 -1.97 -0.73 132.00 133.56 1qba h PRO 745 Ca 0.12 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 1qba h PRO 745 Cb 0.52 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1qba h PRO 745 CO 0.03 0.34 -0.24 1.96 -0.21 0.00 0.00 178.00 179.88 1qba h GLN 746 N 0.48 0.97 -0.45 1.05 4.20 -1.85 -0.34 115.11 119.16 1qba h GLN 746 Ca 0.12 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1qba h GLN 746 Cb 0.01 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1qba h GLN 746 CO -0.02 1.10 0.27 1.98 -0.67 0.00 0.00 178.83 181.49 1qba h MET 747 N 0.83 0.60 -0.71 1.46 4.05 -0.83 -2.71 114.93 117.63 1qba h MET 747 Ca 0.10 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1qba h MET 747 Cb 0.82 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 1qba h MET 747 CO 0.07 0.44 0.30 0.93 0.23 0.00 0.00 176.91 178.88 1qba h GLU 748 N 0.59 1.05 -0.86 0.39 5.08 -0.91 -1.89 114.58 118.03 1qba h GLU 748 Ca 0.16 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1qba h GLU 748 Cb -0.02 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 28.98 1qba h GLU 748 CO -0.03 0.86 0.50 -0.92 -1.00 0.00 0.00 179.01 178.42 1qba h TYR 749 N 1.01 0.91 0.06 4.33 5.03 -0.51 -1.69 116.97 126.11 1qba h TYR 749 Ca 0.24 0.03 -0.24 0.00 2.58 0.00 0.00 58.73 61.34 1qba h TYR 749 Cb 0.19 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 1qba h TYR 749 CO 0.01 0.37 -1.09 0.52 -1.32 0.00 0.00 178.16 176.65 1qba h MET 750 N 0.83 0.17 0.18 1.82 2.86 -1.17 -3.29 114.93 116.32 1qba h MET 750 Ca 0.42 -0.26 -0.32 0.00 -2.06 0.00 0.00 59.70 57.48 1qba h MET 750 Cb 0.39 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1qba h MET 750 CO -0.25 1.10 -1.54 0.82 1.06 0.00 0.00 176.91 178.10 1qba h ILE 751 N 0.06 1.07 -3.68 -1.22 2.04 -1.26 -3.45 117.51 111.07 1qba h ILE 751 Ca -0.08 -2.52 -0.68 0.00 1.00 0.00 0.00 64.86 62.59 1qba h ILE 751 Cb 1.82 2.84 -0.22 0.00 -0.74 0.00 0.00 36.82 40.52 1qba h ILE 751 CO 0.17 0.80 -0.73 -0.36 0.00 0.00 0.00 178.15 178.03 1qba s PHE 752 N -2.54 2.85 -2.25 1.37 0.08 -0.65 -0.45 117.98 116.39 1qba s PHE 752 Ca -0.15 -0.20 0.20 0.00 0.12 0.00 0.00 56.93 56.90 1qba s PHE 752 Cb 0.04 -1.74 0.53 0.00 -0.57 0.00 0.00 43.02 41.29 1qba s PHE 752 CO 0.85 0.14 1.44 -0.35 -0.10 0.00 0.00 175.22 177.20 1qba n PRO 753 N 2.65 2.22 0.17 0.24 -0.04 -1.26 -1.10 135.00 137.88 1qba n PRO 753 Ca -0.18 -1.86 0.13 0.00 -0.04 0.00 0.00 63.50 61.55 1qba n PRO 753 Cb 0.53 -1.45 0.58 0.00 -0.04 0.00 0.00 33.50 33.11 1qba n PRO 753 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1qba h ARG 754 N 3.42 0.00 0.00 0.54 0.11 -1.84 -0.68 114.38 115.94 1qba h ARG 754 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qba h ARG 754 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1qba h ARG 754 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 1qba h ALA 755 N 2.17 1.00 -0.16 0.08 0.00 -1.10 -1.78 119.26 119.46 1qba h ALA 755 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1qba h ALA 755 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qba h ALA 755 CO 0.00 0.00 -0.40 -0.07 0.00 0.00 0.00 179.25 178.78 1qba h LEU 756 N 0.00 0.38 -0.79 0.00 4.07 -1.39 -1.61 115.31 115.97 1qba h LEU 756 Ca 0.00 -0.16 -0.10 0.00 0.08 0.00 0.00 57.88 57.70 1qba h LEU 756 Cb 0.34 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1qba h LEU 756 CO 0.00 0.74 -0.13 0.28 -1.08 0.00 0.00 178.44 178.25 1qba h SER 757 N 0.30 0.77 -0.12 -0.43 0.02 -1.47 -2.29 113.55 110.34 1qba h SER 757 Ca 0.03 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1qba h SER 757 Cb 0.84 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1qba h SER 757 CO 0.07 0.92 0.06 0.58 -1.14 0.00 0.00 176.83 177.32 1qba h VAL 758 N 0.70 1.09 -0.81 2.27 2.07 -1.36 -2.34 116.25 117.87 1qba h VAL 758 Ca 0.11 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1qba h VAL 758 Cb 0.62 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1qba h VAL 758 CO 0.04 0.08 0.48 0.00 0.02 0.00 0.00 177.57 178.19 1qba h ALA 759 N 0.96 1.14 0.24 1.67 0.00 -1.05 0.62 119.26 122.84 1qba h ALA 759 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qba h ALA 759 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qba h ALA 759 CO -0.01 0.15 -0.12 1.49 0.00 0.00 0.00 179.25 180.77 1qba h GLU 760 N 0.84 -0.31 0.00 0.00 4.57 -1.24 -2.61 114.58 115.82 1qba h GLU 760 Ca 0.38 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1qba h GLU 760 Cb 0.27 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1qba h GLU 760 CO -0.21 -0.18 -0.49 -0.09 -1.18 0.00 0.00 179.01 176.86 1qba h ARG 761 N -0.35 0.00 0.00 1.92 9.65 -1.10 0.20 114.38 124.69 1qba h ARG 761 Ca -0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1qba h ARG 761 Cb 0.27 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1qba h ARG 761 CO 0.05 0.49 -0.06 0.66 2.80 0.00 0.00 179.97 183.91 1qba h SER 762 N 0.00 0.00 0.01 -3.80 4.64 -0.86 -3.34 113.55 110.20 1qba h SER 762 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1qba h SER 762 Cb 0.87 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 1qba h SER 762 CO 0.06 0.06 -2.04 1.87 -0.87 0.00 0.00 176.83 175.91 1qba n TRP 763 N -3.12 0.47 -4.45 4.77 -0.00 -0.99 -3.79 117.44 110.33 1qba n TRP 763 Ca 0.03 0.18 -0.34 0.00 -0.00 0.00 0.00 57.50 57.38 1qba n TRP 763 Cb 0.53 -1.05 -0.13 0.00 -0.00 0.00 0.00 31.31 30.65 1qba n TRP 763 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1qba s HIS 764 N -2.46 2.92 -0.38 5.87 2.46 0.68 -1.14 115.29 123.24 1qba s HIS 764 Ca -0.34 -0.58 -0.24 0.00 0.47 0.00 0.00 55.06 54.37 1qba s HIS 764 Cb 0.10 -1.94 0.01 0.00 -0.13 0.00 0.00 32.58 30.63 1qba s HIS 764 CO 0.56 -0.22 0.84 0.50 -2.47 0.00 0.00 174.74 173.95 1qba s ARG 765 N 0.60 3.73 0.64 2.88 3.52 -1.26 -4.45 118.95 124.61 1qba s ARG 765 Ca -0.05 0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.78 1qba s ARG 765 Cb -0.15 -3.83 -0.02 0.00 -1.56 0.00 0.00 34.95 29.39 1qba s ARG 765 CO 0.03 -0.94 1.04 0.00 -0.81 0.00 0.00 175.30 174.62 1qba s ALA 766 N 3.28 3.00 0.47 6.12 0.00 -1.26 -4.97 121.76 128.39 1qba s ALA 766 Ca 0.34 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.37 1qba s ALA 766 Cb -0.12 -3.09 1.12 0.00 0.00 0.00 0.00 23.12 21.03 1qba s ALA 766 CO 0.19 -0.84 2.04 0.78 0.00 0.00 0.00 175.76 177.93 1qba h GLY 767 N -0.43 0.00 0.17 0.00 0.00 -1.98 -1.70 103.07 99.13 1qba h GLY 767 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1qba h GLY 767 CO 0.61 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.48 1qba n TRP 768 N -4.31 0.01 -2.81 5.60 4.27 -1.26 -4.57 117.44 114.38 1qba n TRP 768 Ca -0.03 -0.01 -0.43 0.00 -3.89 0.00 0.00 57.50 53.15 1qba n TRP 768 Cb 0.20 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.11 1qba n TRP 768 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1qba s GLU 769 N -1.99 3.18 0.62 -2.67 2.02 -0.64 -4.65 118.70 114.57 1qba s GLU 769 Ca 0.41 -0.59 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 1qba s GLU 769 Cb 0.21 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1qba s GLU 769 CO 0.34 -1.78 1.03 -0.65 0.02 0.00 0.00 175.26 174.22 1qba s GLN 770 N 4.28 3.49 0.34 1.61 -0.21 -1.26 -4.85 119.66 123.06 1qba s GLN 770 Ca 0.26 0.85 -0.28 0.00 0.02 0.00 0.00 55.36 56.21 1qba s GLN 770 Cb -0.14 -2.07 -0.10 0.00 1.00 0.00 0.00 33.01 31.70 1qba s GLN 770 CO 0.13 -0.65 1.28 -0.51 -2.12 0.00 0.00 175.29 173.42 1qba s ASP 771 N -3.85 6.76 0.36 5.90 1.01 -1.26 -4.64 116.67 120.95 1qba s ASP 771 Ca 0.57 2.62 -0.28 0.00 0.71 0.00 0.00 52.55 56.16 1qba s ASP 771 Cb -0.12 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.06 1qba s ASP 771 CO 0.50 -0.54 1.51 -0.47 0.21 0.00 0.00 175.17 176.38 1qba s TYR 772 N -1.17 2.62 -0.15 4.23 5.04 -1.26 -5.01 117.35 121.65 1qba s TYR 772 Ca 0.50 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 56.18 1qba s TYR 772 Cb -0.38 -4.03 0.05 0.00 0.35 0.00 0.00 41.96 37.95 1qba s TYR 772 CO 0.50 -3.12 0.05 1.03 -1.34 0.00 0.00 175.55 172.67 1qba s ARG 773 N -1.75 0.37 0.26 4.97 0.52 -1.26 -5.08 118.95 116.97 1qba s ARG 773 Ca 0.55 -0.14 -0.31 0.00 -0.52 0.00 0.00 55.73 55.31 1qba s ARG 773 Cb -0.47 -1.67 -0.12 0.00 0.52 0.00 0.00 34.95 33.21 1qba s ARG 773 CO 0.60 -0.57 1.65 0.00 0.02 0.00 0.00 175.30 177.01 1qba n ALA 774 N 5.17 2.71 -0.01 2.13 0.00 -1.26 -1.75 120.51 127.51 1qba n ALA 774 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1qba n ALA 774 Cb 0.49 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1qba n ALA 774 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qba n GLY 775 N 2.83 1.95 3.72 0.00 0.00 0.67 -4.93 105.19 109.43 1qba n GLY 775 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1qba n GLY 775 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qba s ARG 776 N -0.35 4.54 -0.23 1.61 3.52 -0.72 -4.92 118.95 122.41 1qba s ARG 776 Ca 0.00 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.19 1qba s ARG 776 Cb 0.00 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1qba s ARG 776 CO 0.00 -0.07 -0.07 -2.00 -0.81 0.00 0.00 175.30 172.35 1qba s GLU 777 N 0.63 3.02 -0.19 5.12 2.12 -1.26 -4.17 118.70 123.98 1qba s GLU 777 Ca 0.53 -0.85 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 1qba s GLU 777 Cb -0.26 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1qba s GLU 777 CO 0.30 -0.31 0.30 0.71 -0.54 0.00 0.00 175.26 175.72 1qba s TYR 778 N 1.37 3.41 -0.22 5.30 1.51 -0.23 -4.95 117.35 123.53 1qba s TYR 778 Ca 0.03 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 56.64 1qba s TYR 778 Cb -0.15 -2.39 0.05 0.00 -0.11 0.00 0.00 41.96 39.36 1qba s TYR 778 CO -0.05 0.14 -0.09 0.15 -1.11 0.00 0.00 175.55 174.59 1qba s LYS 779 N 0.82 1.92 0.24 -0.62 1.02 -1.26 -0.76 119.74 121.10 1qba s LYS 779 Ca 0.16 -0.97 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 1qba s LYS 779 Cb -0.14 -2.55 -0.13 0.00 -0.52 0.00 0.00 37.83 34.50 1qba s LYS 779 CO 0.05 -0.51 1.56 0.41 -0.92 0.00 0.00 175.35 175.94 1qba n GLY 780 N 4.64 1.17 3.22 -3.33 0.00 0.19 -1.22 105.19 109.86 1qba n GLY 780 Ca -0.14 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1qba n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qba n GLY 781 N 2.66 1.90 1.13 -0.02 0.00 -1.26 -4.68 105.19 104.92 1qba n GLY 781 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qba n GLY 781 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qba n GLU 782 N -2.00 0.00 -2.07 1.61 2.13 -0.36 -5.07 120.64 114.89 1qba n GLU 782 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1qba n GLU 782 Cb 0.00 -0.45 0.03 0.00 0.27 0.00 0.00 31.44 31.29 1qba n GLU 782 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1qba s THR 783 N -2.00 3.93 -0.30 6.31 -4.23 -0.37 -5.00 115.64 113.98 1qba s THR 783 Ca 0.00 0.43 0.20 0.00 -1.18 0.00 0.00 61.69 61.14 1qba s THR 783 Cb 0.00 -3.59 0.48 0.00 1.34 0.00 0.00 72.50 70.72 1qba s THR 783 CO 0.00 -0.73 1.01 1.41 -0.54 0.00 0.00 174.62 175.77 1qba n HIS 784 N -2.78 1.23 -0.05 3.99 8.25 -1.26 -4.83 115.22 119.76 1qba n HIS 784 Ca 0.06 -2.57 -0.13 0.00 -0.26 0.00 0.00 57.72 54.82 1qba n HIS 784 Cb 0.56 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 1qba n HIS 784 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1qba h PHE 785 N 2.85 0.40 -3.81 4.41 0.04 -1.97 -3.45 116.94 115.41 1qba h PHE 785 Ca -0.11 -0.11 -0.51 0.00 2.80 0.00 0.00 57.97 60.04 1qba h PHE 785 Cb 1.21 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 39.30 1qba h PHE 785 CO 0.51 0.71 0.49 0.08 -0.60 0.00 0.00 178.31 179.50 1qba s VAL 786 N -4.37 3.39 -1.15 -0.55 1.01 -1.26 -4.95 120.40 112.52 1qba s VAL 786 Ca -0.14 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.06 1qba s VAL 786 Cb 0.05 -3.89 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1qba s VAL 786 CO 0.75 0.34 1.50 -0.62 0.00 0.00 0.00 175.10 177.07 1qba s ASP 787 N -0.83 6.78 0.48 3.32 -1.08 -1.26 -4.80 116.67 119.28 1qba s ASP 787 Ca 0.45 -2.29 0.30 0.00 -0.52 0.00 0.00 52.55 50.49 1qba s ASP 787 Cb -0.33 -2.51 1.03 0.00 -1.46 0.00 0.00 42.92 39.65 1qba s ASP 787 CO 0.42 -1.13 1.85 0.71 0.52 0.00 0.00 175.17 177.54 1qba h THR 788 N 5.68 0.00 -0.14 1.71 1.35 -1.95 -2.24 112.91 117.32 1qba h THR 788 Ca 0.31 -0.62 -0.19 0.00 -0.55 0.00 0.00 66.41 65.37 1qba h THR 788 Cb 0.93 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1qba h THR 788 CO 1.35 0.00 -0.68 1.56 -0.25 0.00 0.00 175.52 177.49 1qba h GLN 789 N 0.00 0.58 -0.48 4.72 1.08 -1.99 -0.38 115.11 118.63 1qba h GLN 789 Ca 0.00 -0.43 -0.09 0.00 -1.45 0.00 0.00 58.65 56.67 1qba h GLN 789 Cb 0.64 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 1qba h GLN 789 CO 0.00 1.06 -0.06 0.00 -0.95 0.00 0.00 178.83 178.88 1qba h ALA 790 N 0.83 0.66 -0.17 3.87 0.00 -1.88 -1.85 119.26 120.72 1qba h ALA 790 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1qba h ALA 790 Cb 1.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qba h ALA 790 CO 0.13 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.25 1qba h LEU 791 N 0.75 0.20 -0.82 0.00 5.85 -1.30 -1.51 115.31 118.47 1qba h LEU 791 Ca 0.13 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1qba h LEU 791 Cb 0.59 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1qba h LEU 791 CO 0.04 0.16 0.54 -0.08 -0.34 0.00 0.00 178.44 178.76 1qba h GLU 792 N 0.21 1.07 -0.48 1.25 4.81 -0.98 -0.85 114.58 119.61 1qba h GLU 792 Ca 0.06 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1qba h GLU 792 Cb -0.00 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1qba h GLU 792 CO -0.01 0.71 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.57 1qba h LYS 793 N 1.10 0.96 -0.14 1.92 1.63 -1.14 -0.89 116.57 120.00 1qba h LYS 793 Ca 0.30 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1qba h LYS 793 Cb -0.11 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1qba h LYS 793 CO -0.07 1.05 0.03 0.22 -3.45 0.00 0.00 179.45 177.23 1qba h ASP 794 N 0.83 0.22 -0.82 4.20 3.58 -0.97 -2.62 116.42 120.86 1qba h ASP 794 Ca 0.12 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 1qba h ASP 794 Cb 0.75 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.70 1qba h ASP 794 CO 0.06 0.41 0.46 -0.25 -2.88 0.00 0.00 179.24 177.04 1qba h TRP 795 N 0.02 1.11 -0.78 0.28 2.91 -1.11 -1.69 115.95 116.70 1qba h TRP 795 Ca 0.04 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.10 1qba h TRP 795 Cb 0.28 -0.36 -0.06 0.00 -0.51 0.00 0.00 29.16 28.52 1qba h TRP 795 CO 0.01 0.77 0.47 1.25 -1.03 0.00 0.00 178.44 179.91 1qba h LEU 796 N 1.13 0.73 -0.18 0.65 5.85 -1.01 0.13 115.31 122.62 1qba h LEU 796 Ca 0.29 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1qba h LEU 796 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1qba h LEU 796 CO -0.05 0.48 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.42 1qba h ARG 797 N 0.87 0.33 -0.39 1.25 2.43 -1.23 -2.71 114.38 114.93 1qba h ARG 797 Ca 0.34 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1qba h ARG 797 Cb 0.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1qba h ARG 797 CO -0.16 0.57 0.24 0.35 -1.51 0.00 0.00 179.97 179.45 1qba h PHE 798 N 0.06 0.51 -0.87 2.20 3.57 -0.78 -0.68 116.94 120.95 1qba h PHE 798 Ca 0.05 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1qba h PHE 798 Cb 0.43 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1qba h PHE 798 CO 0.04 0.36 0.57 0.00 -2.23 0.00 0.00 178.31 177.05 1qba h ALA 799 N 1.11 1.49 -0.43 2.41 0.00 -0.79 -1.40 119.26 121.65 1qba h ALA 799 Ca 0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1qba h ALA 799 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1qba h ALA 799 CO -0.03 0.40 -0.21 -0.91 0.00 0.00 0.00 179.25 178.51 1qba h ASN 800 N 1.05 0.92 -0.71 0.00 2.35 -1.24 -1.28 115.58 116.68 1qba h ASN 800 Ca 0.36 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1qba h ASN 800 Cb 0.10 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1qba h ASN 800 CO -0.12 1.12 0.35 0.40 -1.65 0.00 0.00 177.43 177.53 1qba h ILE 801 N 0.73 1.23 0.30 2.81 2.04 -0.30 0.78 117.51 125.10 1qba h ILE 801 Ca 0.10 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1qba h ILE 801 Cb 0.77 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1qba h ILE 801 CO 0.06 0.27 -0.15 -0.07 0.00 0.00 0.00 178.15 178.26 1qba h LEU 802 N 0.98 -0.34 -0.71 1.44 4.07 -1.18 0.05 115.31 119.61 1qba h LEU 802 Ca 0.24 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 1qba h LEU 802 Cb 0.10 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1qba h LEU 802 CO -0.03 -0.17 -0.34 1.23 -1.08 0.00 0.00 178.44 178.04 1qba h GLY 803 N -0.50 0.65 0.96 0.83 0.00 -1.08 -1.51 103.07 102.42 1qba h GLY 803 Ca -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1qba h GLY 803 CO 0.07 0.56 -1.11 -1.06 0.00 0.00 0.00 176.54 175.00 1qba n GLN 804 N -4.06 0.61 0.04 4.80 6.02 0.25 -3.72 117.38 121.33 1qba n GLN 804 Ca -0.01 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1qba n GLN 804 Cb 0.48 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1qba n GLN 804 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1qba n ARG 805 N -2.70 0.00 0.07 -1.09 0.63 -0.08 -4.68 116.66 108.82 1qba n ARG 805 Ca -0.02 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.79 1qba n ARG 805 Cb 0.60 -0.18 -0.03 0.00 0.45 0.00 0.00 32.46 33.29 1qba n ARG 805 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1qba h GLU 806 N 0.00 0.39 -0.30 -0.14 4.39 -1.28 -3.22 114.58 114.42 1qba h GLU 806 Ca 0.00 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 1qba h GLU 806 Cb 0.23 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1qba h GLU 806 CO 0.00 1.08 0.06 -0.07 -1.16 0.00 0.00 179.01 178.92 1qba h LEU 807 N 0.23 0.39 -1.87 1.33 3.38 -1.53 -0.59 115.31 116.65 1qba h LEU 807 Ca -0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1qba h LEU 807 Cb 1.54 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1qba h LEU 807 CO 0.16 0.41 -0.08 0.00 0.09 0.00 0.00 178.44 179.01 1qba h ALA 808 N 1.65 1.82 -0.03 1.53 0.00 -1.81 -1.90 119.26 120.51 1qba h ALA 808 Ca 0.10 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1qba h ALA 808 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1qba h ALA 808 CO -0.00 0.10 -0.76 0.87 0.00 0.00 0.00 179.25 179.46 1qba h LYS 809 N 0.00 0.22 -0.60 0.00 1.57 -1.20 -2.85 116.57 113.72 1qba h LYS 809 Ca -0.00 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1qba h LYS 809 Cb 0.15 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1qba h LYS 809 CO 0.01 0.88 0.12 -0.07 -0.57 0.00 0.00 179.45 179.82 1qba h LEU 810 N 0.14 0.89 -0.47 2.94 3.38 -0.93 -1.41 115.31 119.86 1qba h LEU 810 Ca -0.03 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1qba h LEU 810 Cb 1.34 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1qba h LEU 810 CO 0.12 0.89 0.26 0.44 0.09 0.00 0.00 178.44 180.23 1qba h ASP 811 N 0.90 0.40 0.36 -0.43 3.32 -1.33 -2.34 116.42 117.30 1qba h ASP 811 Ca 0.19 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1qba h ASP 811 Cb 0.36 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1qba h ASP 811 CO 0.00 0.28 -0.27 0.11 -1.72 0.00 0.00 179.24 177.65 1qba h LYS 812 N 0.51 0.00 -0.06 3.56 1.57 -1.20 -2.68 116.57 118.28 1qba h LYS 812 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1qba h LYS 812 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1qba h LYS 812 CO -0.11 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 1qba n GLY 813 N -0.60 -0.26 2.19 3.86 0.00 -0.58 -4.93 105.19 104.87 1qba n GLY 813 Ca -0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1qba n GLY 813 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qba n GLY 814 N 1.06 -0.04 3.70 -0.02 0.00 -0.99 -4.98 105.19 103.92 1qba n GLY 814 Ca 0.18 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1qba n GLY 814 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qba s VAL 815 N -2.50 5.27 -1.39 1.61 1.01 -0.92 -4.99 120.40 118.49 1qba s VAL 815 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1qba s VAL 815 Cb -0.00 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.80 1qba s VAL 815 CO 0.00 0.33 2.40 0.00 0.00 0.00 0.00 175.10 177.83 1qba n ALA 816 N 4.01 6.62 -1.43 5.51 0.00 -1.26 -4.60 120.51 129.35 1qba n ALA 816 Ca -0.11 -4.00 -0.34 0.00 0.00 0.00 0.00 53.44 49.00 1qba n ALA 816 Cb 0.52 -2.99 0.07 0.00 0.00 0.00 0.00 19.45 17.04 1qba n ALA 816 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1qba s TYR 817 N 0.14 2.29 0.07 0.00 -0.85 -1.26 -2.12 117.35 115.62 1qba s TYR 817 Ca 0.54 1.58 -0.31 0.00 -0.52 0.00 0.00 57.07 58.37 1qba s TYR 817 Cb 0.16 -3.35 -0.07 0.00 0.38 0.00 0.00 41.96 39.09 1qba s TYR 817 CO -0.07 -2.21 1.43 0.50 -1.52 0.00 0.00 175.55 173.68 1qba s ARG 818 N -3.97 4.29 -0.22 -3.49 3.52 -0.26 -4.83 118.95 114.00 1qba s ARG 818 Ca 0.71 2.07 -0.14 0.00 -0.13 0.00 0.00 55.73 58.24 1qba s ARG 818 Cb -0.25 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1qba s ARG 818 CO 0.43 -0.52 0.33 -0.51 -0.81 0.00 0.00 175.30 174.21 1qba s LEU 819 N 1.76 4.12 0.48 -0.88 1.43 -1.26 -4.49 118.68 119.84 1qba s LEU 819 Ca 0.65 0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 53.88 1qba s LEU 819 Cb -0.35 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 1qba s LEU 819 CO 0.29 -0.06 1.22 -2.16 0.23 0.00 0.00 176.35 175.88 1qba s PRO 820 N 1.37 3.63 0.23 1.29 0.04 -1.26 -4.65 135.00 135.66 1qba s PRO 820 Ca 0.15 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1qba s PRO 820 Cb -0.15 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1qba s PRO 820 CO 0.07 -0.70 0.93 0.08 0.04 0.00 0.00 177.00 177.43 1qba s VAL 821 N -1.47 4.09 0.73 -0.36 1.01 -1.26 -4.33 120.40 118.81 1qba s VAL 821 Ca 0.65 2.08 -0.15 0.00 0.00 0.00 0.00 61.98 64.55 1qba s VAL 821 Cb -0.32 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.77 1qba s VAL 821 CO 0.39 0.50 1.20 -2.84 0.00 0.00 0.00 175.10 174.34 1qba s PRO 822 N -1.15 2.18 0.21 2.72 0.02 -1.26 -4.77 135.00 132.94 1qba s PRO 822 Ca 0.41 1.73 -0.12 0.00 0.02 0.00 0.00 61.00 63.04 1qba s PRO 822 Cb -0.26 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 1qba s PRO 822 CO 0.32 -1.80 0.58 0.20 -0.33 0.00 0.00 177.00 175.96 1qba s GLY 823 N -2.08 2.37 -0.03 0.52 0.00 0.02 -4.60 107.32 103.52 1qba s GLY 823 Ca 0.74 -0.16 -0.29 0.00 0.00 0.00 0.00 44.72 45.00 1qba s GLY 823 CO 0.45 0.05 0.65 0.00 0.00 0.00 0.00 173.10 174.24 1qba s ALA 824 N -1.68 -1.68 0.10 3.20 0.00 -0.44 -1.00 121.76 120.26 1qba s ALA 824 Ca 0.44 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 1qba s ALA 824 Cb -0.13 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1qba s ALA 824 CO 0.20 -0.40 0.23 -0.98 0.00 0.00 0.00 175.76 174.81 1qba s ARG 825 N -1.46 0.89 -0.22 0.00 1.70 -0.42 -2.95 118.95 116.50 1qba s ARG 825 Ca -0.10 -0.90 -0.03 0.00 -0.47 0.00 0.00 55.73 54.22 1qba s ARG 825 Cb -0.00 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1qba s ARG 825 CO 0.07 -0.30 -0.05 0.08 -1.08 0.00 0.00 175.30 174.02 1qba s VAL 826 N -3.84 3.29 -0.07 4.99 1.01 -1.26 -1.40 120.40 123.12 1qba s VAL 826 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1qba s VAL 826 Cb 0.04 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1qba s VAL 826 CO -0.11 0.43 0.16 0.00 0.00 0.00 0.00 175.10 175.58 1qba s ALA 827 N 1.45 -0.34 -1.49 5.51 0.00 -0.84 -4.89 121.76 121.15 1qba s ALA 827 Ca 0.05 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1qba s ALA 827 Cb -0.14 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.65 1qba s ALA 827 CO -0.04 -0.13 0.96 0.41 0.00 0.00 0.00 175.76 176.97 1qba n GLY 828 N 3.75 -0.51 3.00 0.00 0.00 -1.26 -1.60 105.19 108.57 1qba n GLY 828 Ca -0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qba n GLY 828 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qba n GLY 829 N -1.71 0.46 3.29 -0.02 0.00 -1.26 -5.00 105.19 100.94 1qba n GLY 829 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1qba n GLY 829 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qba s LYS 830 N -0.60 1.16 -0.06 1.61 1.02 -0.63 -1.50 119.74 120.74 1qba s LYS 830 Ca 0.00 -1.50 -0.26 0.00 0.02 0.00 0.00 55.97 54.22 1qba s LYS 830 Cb 0.00 -0.80 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 1qba s LYS 830 CO 0.00 0.11 0.84 -1.17 -0.92 0.00 0.00 175.35 174.21 1qba s LEU 831 N -3.22 4.32 -0.16 3.17 2.96 -0.05 -1.99 118.68 123.70 1qba s LEU 831 Ca 0.19 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 1qba s LEU 831 Cb 0.01 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.40 1qba s LEU 831 CO 0.03 -0.22 -0.17 -0.70 -1.32 0.00 0.00 176.35 173.97 1qba s GLU 832 N 1.11 3.13 0.12 1.98 2.12 -0.49 -4.26 118.70 122.41 1qba s GLU 832 Ca 0.44 -0.78 0.07 0.00 0.36 0.00 0.00 54.97 55.05 1qba s GLU 832 Cb -0.19 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 1qba s GLU 832 CO 0.21 -0.06 -0.17 0.00 -0.54 0.00 0.00 175.26 174.70 1qba s ALA 833 N 0.99 1.62 0.33 6.30 0.00 -1.26 -1.30 121.76 128.44 1qba s ALA 833 Ca -0.02 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 1qba s ALA 833 Cb -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1qba s ALA 833 CO -0.04 0.21 0.41 0.54 0.00 0.00 0.00 175.76 176.88 1qba s ASN 834 N -2.23 1.05 -0.00 0.00 2.20 -0.17 -4.98 114.94 110.82 1qba s ASN 834 Ca 0.08 -1.54 -0.21 0.00 -0.94 0.00 0.00 52.86 50.24 1qba s ASN 834 Cb -0.07 0.62 0.04 0.00 -2.00 0.00 0.00 41.25 39.84 1qba s ASN 834 CO 0.04 -1.21 0.47 -0.51 -2.94 0.00 0.00 177.10 172.95 1qba s ILE 835 N -3.23 0.04 0.35 0.54 2.07 -1.26 -0.80 121.20 118.89 1qba s ILE 835 Ca 0.33 -0.30 0.24 0.00 -1.41 0.00 0.00 60.65 59.52 1qba s ILE 835 Cb 0.01 -0.86 0.24 0.00 0.13 0.00 0.00 42.46 41.98 1qba s ILE 835 CO 0.21 -0.16 1.97 0.00 -1.91 0.00 0.00 174.94 175.05 1qba h ALA 836 N 3.24 1.25 -3.07 1.50 0.00 -1.94 -3.35 119.26 116.89 1qba h ALA 836 Ca -0.29 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.82 1qba h ALA 836 Cb 1.18 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.53 1qba h ALA 836 CO 0.41 0.24 -0.68 -0.51 0.00 0.00 0.00 179.25 178.70 1qba s LEU 837 N -7.36 3.65 0.25 0.00 1.43 -1.26 -4.90 118.68 110.49 1qba s LEU 837 Ca -0.02 -3.13 -0.31 0.00 -1.03 0.00 0.00 54.13 49.64 1qba s LEU 837 Cb 0.13 -1.33 -0.13 0.00 0.03 0.00 0.00 46.19 44.89 1qba s LEU 837 CO 0.62 -0.20 1.44 -2.65 0.23 0.00 0.00 176.35 175.79 1qba n PRO 838 N 2.90 2.15 0.00 1.29 -0.02 -1.25 -2.74 135.00 137.34 1qba n PRO 838 Ca 0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1qba n PRO 838 Cb 0.35 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1qba n PRO 838 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qba n GLY 839 N 2.12 1.26 3.77 -1.23 0.00 -1.26 -3.35 105.19 106.50 1qba n GLY 839 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1qba n GLY 839 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qba s LEU 840 N 0.00 4.31 0.47 0.99 1.43 -1.11 -4.65 118.68 120.12 1qba s LEU 840 Ca 0.00 2.36 -0.23 0.00 -1.03 0.00 0.00 54.13 55.23 1qba s LEU 840 Cb 0.00 -3.89 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 1qba s LEU 840 CO 0.00 -0.52 1.21 -0.83 0.23 0.00 0.00 176.35 176.44 1qba s GLY 841 N -1.01 2.81 -0.05 -3.19 0.00 -1.25 -4.94 107.32 99.70 1qba s GLY 841 Ca 0.53 1.03 0.05 0.00 0.00 0.00 0.00 44.72 46.33 1qba s GLY 841 CO 0.40 1.51 -0.20 -0.42 0.00 0.00 0.00 173.10 174.40 1qba s ILE 842 N -1.48 1.65 0.19 0.90 1.01 -1.26 -1.86 121.20 120.34 1qba s ILE 842 Ca 0.65 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 60.55 1qba s ILE 842 Cb -0.32 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1qba s ILE 842 CO 0.38 0.47 -0.19 -1.61 0.00 0.00 0.00 174.94 173.99 1qba s GLU 843 N -0.02 1.38 0.07 2.79 2.02 0.11 -0.84 118.70 124.21 1qba s GLU 843 Ca -0.04 -1.49 0.01 0.00 0.02 0.00 0.00 54.97 53.47 1qba s GLU 843 Cb -0.12 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 1qba s GLU 843 CO 0.03 0.30 -0.05 1.52 0.02 0.00 0.00 175.26 177.07 1qba s TYR 844 N -2.10 0.72 -0.04 1.61 1.13 -0.10 -1.55 117.35 117.02 1qba s TYR 844 Ca 0.19 -0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 54.87 1qba s TYR 844 Cb -0.06 -0.45 0.03 0.00 -1.10 0.00 0.00 41.96 40.38 1qba s TYR 844 CO 0.08 -0.25 0.08 0.45 -2.51 0.00 0.00 175.55 173.41 1qba s SER 845 N -2.92 -0.03 0.00 -0.18 0.15 -0.76 -0.54 113.70 109.43 1qba s SER 845 Ca 0.09 0.15 0.13 0.00 0.70 0.00 0.00 55.95 57.02 1qba s SER 845 Cb 0.06 0.07 0.27 0.00 -1.71 0.00 0.00 66.02 64.71 1qba s SER 845 CO -0.07 -0.11 1.16 0.35 1.20 0.00 0.00 173.24 175.77 1qba n THR 846 N 3.92 0.60 -1.63 6.45 -2.24 -1.26 -1.98 114.28 118.13 1qba n THR 846 Ca -0.24 -0.80 -0.06 0.00 -2.27 0.00 0.00 64.05 60.68 1qba n THR 846 Cb 0.53 0.81 0.16 0.00 -2.10 0.00 0.00 70.33 69.73 1qba n THR 846 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qba n ASP 847 N 0.75 2.93 0.00 3.42 5.68 -1.26 -4.78 116.55 123.28 1qba n ASP 847 Ca 0.12 -3.83 0.00 0.00 -0.50 0.00 0.00 54.79 50.57 1qba n ASP 847 Cb 0.42 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1qba n ASP 847 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qba n GLY 848 N -1.03 0.39 1.80 6.12 0.00 -1.26 -4.02 105.19 107.19 1qba n GLY 848 Ca 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1qba n GLY 848 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qba n GLY 849 N -3.00 0.53 0.13 -0.02 0.00 -1.26 -4.97 105.19 96.60 1qba n GLY 849 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1qba n GLY 849 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qba n LYS 850 N -1.03 0.63 -4.59 1.61 4.76 -1.26 -4.88 118.16 113.41 1qba n LYS 850 Ca 0.00 0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 1qba n LYS 850 Cb 0.44 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.95 1qba n LYS 850 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1qba s GLN 851 N -2.50 3.46 -0.06 1.97 -0.44 -1.26 -5.11 119.66 115.71 1qba s GLN 851 Ca -0.35 -0.59 0.03 0.00 -2.50 0.00 0.00 55.36 51.95 1qba s GLN 851 Cb 0.11 -2.76 -0.02 0.00 -1.64 0.00 0.00 33.01 28.69 1qba s GLN 851 CO 0.57 0.28 -0.14 -1.58 0.50 0.00 0.00 175.29 174.92 1qba s TRP 852 N 0.23 2.72 0.14 1.67 0.52 -1.26 -4.31 118.94 118.64 1qba s TRP 852 Ca -0.05 -0.25 0.09 0.00 0.02 0.00 0.00 56.10 55.91 1qba s TRP 852 Cb -0.15 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1qba s TRP 852 CO 0.04 0.11 -0.21 -0.65 0.02 0.00 0.00 176.95 176.26 1qba s GLN 853 N -0.53 1.24 0.19 4.98 -0.21 0.30 -4.94 119.66 120.71 1qba s GLN 853 Ca 0.07 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 53.85 1qba s GLN 853 Cb -0.12 -1.47 -0.08 0.00 1.00 0.00 0.00 33.01 32.34 1qba s GLN 853 CO 0.01 0.33 1.12 1.03 -2.12 0.00 0.00 175.29 175.67 1qba s ARG 854 N -2.30 4.57 -0.10 2.91 0.52 -1.26 -0.92 118.95 122.38 1qba s ARG 854 Ca 0.12 1.77 -0.23 0.00 -0.52 0.00 0.00 55.73 56.87 1qba s ARG 854 Cb -0.08 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1qba s ARG 854 CO 0.06 0.05 0.67 -0.47 0.02 0.00 0.00 175.30 175.63 1qba s TYR 855 N -0.33 3.53 -0.27 -0.53 5.04 -0.02 -4.88 117.35 119.89 1qba s TYR 855 Ca 0.49 1.16 -0.02 0.00 -2.44 0.00 0.00 57.07 56.26 1qba s TYR 855 Cb -0.31 -2.79 0.03 0.00 0.35 0.00 0.00 41.96 39.25 1qba s TYR 855 CO 0.36 0.04 -0.03 0.34 -1.34 0.00 0.00 175.55 174.93 1qba s ASP 856 N 0.85 4.56 0.51 4.32 -1.08 -1.26 -4.69 116.67 119.88 1qba s ASP 856 Ca 0.35 -0.93 0.26 0.00 -0.52 0.00 0.00 52.55 51.71 1qba s ASP 856 Cb -0.17 -1.71 1.39 0.00 -1.46 0.00 0.00 42.92 40.98 1qba s ASP 856 CO 0.16 -0.17 2.06 0.00 0.52 0.00 0.00 175.17 177.74 1qba h ALA 857 N 8.04 1.31 -0.30 3.66 0.00 -1.96 -2.06 119.26 127.95 1qba h ALA 857 Ca -0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1qba h ALA 857 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qba h ALA 857 CO 0.57 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.61 1qba n LYS 858 N -3.69 2.07 -2.90 0.00 5.02 -1.26 -4.17 118.16 113.23 1qba n LYS 858 Ca -0.02 -1.63 -0.12 0.00 -2.02 0.00 0.00 58.31 54.52 1qba n LYS 858 Cb 0.24 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.86 1qba n LYS 858 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qba n ALA 859 N 0.84 0.21 -1.65 7.82 0.00 -0.80 -5.14 120.51 121.79 1qba n ALA 859 Ca 0.17 -2.17 -0.39 0.00 0.00 0.00 0.00 53.44 51.05 1qba n ALA 859 Cb 0.44 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.84 1qba n ALA 859 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qba n LYS 860 N 0.46 1.30 -2.98 0.00 5.02 -1.04 -4.57 118.16 116.36 1qba n LYS 860 Ca 0.13 0.48 -0.40 0.00 -2.02 0.00 0.00 58.31 56.50 1qba n LYS 860 Cb 0.68 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 1qba n LYS 860 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qba s PRO 861 N -2.51 4.53 0.06 1.97 0.04 -1.26 -4.88 135.00 132.96 1qba s PRO 861 Ca 0.70 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1qba s PRO 861 Cb -0.46 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 30.70 1qba s PRO 861 CO 0.52 0.42 1.18 0.00 0.04 0.00 0.00 177.00 179.15 1qba s ALA 862 N -0.57 3.37 -0.01 8.56 0.00 -1.26 -0.87 121.76 130.98 1qba s ALA 862 Ca 0.37 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.19 1qba s ALA 862 Cb -0.22 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1qba s ALA 862 CO 0.25 -0.41 -0.11 0.08 0.00 0.00 0.00 175.76 175.57 1qba s VAL 863 N 0.97 0.85 -0.01 0.00 1.01 -0.56 -4.89 120.40 117.77 1qba s VAL 863 Ca 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1qba s VAL 863 Cb -0.29 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1qba s VAL 863 CO 0.30 0.25 0.00 -0.94 0.00 0.00 0.00 175.10 174.70 1qba s SER 864 N -0.17 0.18 0.08 3.32 1.04 -1.26 -4.66 113.70 112.23 1qba s SER 864 Ca 0.03 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1qba s SER 864 Cb -0.05 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1qba s SER 864 CO -0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1qba n GLY 865 N 3.58 -0.97 3.70 7.32 0.00 -1.26 -4.84 105.19 112.72 1qba n GLY 865 Ca -0.20 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1qba n GLY 865 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qba s GLU 866 N 0.00 4.18 -0.01 1.61 2.12 -1.26 -5.01 118.70 120.33 1qba s GLU 866 Ca 0.00 2.42 0.06 0.00 0.36 0.00 0.00 54.97 57.81 1qba s GLU 866 Cb 0.00 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1qba s GLU 866 CO 0.00 -0.71 -0.19 0.08 -0.54 0.00 0.00 175.26 173.90 1qba s VAL 867 N 1.94 1.46 0.13 3.70 1.01 -1.26 -4.56 120.40 122.81 1qba s VAL 867 Ca 0.74 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 62.03 1qba s VAL 867 Cb -0.44 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1qba s VAL 867 CO 0.33 0.41 -0.24 -1.10 0.00 0.00 0.00 175.10 174.50 1qba s GLN 868 N -0.43 1.53 0.10 2.72 -0.21 -0.84 -0.87 119.66 121.66 1qba s GLN 868 Ca 0.07 -1.31 0.05 0.00 0.02 0.00 0.00 55.36 54.18 1qba s GLN 868 Cb -0.07 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1qba s GLN 868 CO -0.01 0.46 -0.12 0.14 -2.12 0.00 0.00 175.29 173.64 1qba s VAL 869 N -1.13 1.08 0.10 1.09 -7.23 -0.16 -1.82 120.40 112.32 1qba s VAL 869 Ca 0.16 -1.62 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1qba s VAL 869 Cb -0.10 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.51 1qba s VAL 869 CO 0.08 -0.47 0.43 0.00 -0.31 0.00 0.00 175.10 174.83 1qba s ARG 870 N -2.61 1.05 0.35 4.82 1.70 -0.60 -2.07 118.95 121.59 1qba s ARG 870 Ca 0.05 -0.56 0.07 0.00 -0.47 0.00 0.00 55.73 54.82 1qba s ARG 870 Cb -0.04 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 1qba s ARG 870 CO 0.01 -0.40 0.42 -1.54 -1.08 0.00 0.00 175.30 172.71 1qba s SER 871 N -2.54 5.69 0.00 -2.89 1.04 -1.26 -0.71 113.70 113.04 1qba s SER 871 Ca 0.00 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1qba s SER 871 Cb 0.01 -1.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.05 1qba s SER 871 CO -0.09 -0.45 -0.08 0.54 0.98 0.00 0.00 173.24 174.15 1qba s VAL 872 N -2.24 0.59 0.77 5.02 0.11 -0.78 -1.24 120.40 122.62 1qba s VAL 872 Ca 0.45 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 1qba s VAL 872 Cb -0.08 -0.52 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1qba s VAL 872 CO 0.30 0.08 1.16 -0.94 -3.33 0.00 0.00 175.10 172.37 1qba s SER 873 N -0.39 4.13 0.46 3.54 1.04 0.24 -3.78 113.70 118.93 1qba s SER 873 Ca 0.01 2.17 0.16 0.00 0.48 0.00 0.00 55.95 58.76 1qba s SER 873 Cb -0.04 -2.57 1.11 0.00 0.10 0.00 0.00 66.02 64.62 1qba s SER 873 CO -0.00 -2.30 2.01 -0.65 0.98 0.00 0.00 173.24 173.28 1qba h PRO 874 N -0.72 0.29 -0.00 4.02 0.11 -1.91 0.05 132.00 133.84 1qba h PRO 874 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qba h PRO 874 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qba h PRO 874 CO 0.49 0.19 -0.07 -0.40 -0.21 0.00 0.00 178.00 178.00 1qba n ASP 875 N -4.46 0.47 0.00 -2.05 5.68 -1.26 -4.93 116.55 109.99 1qba n ASP 875 Ca 0.08 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 1qba n ASP 875 Cb 0.36 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1qba n ASP 875 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qba n GLY 876 N 1.23 0.68 0.10 6.12 0.00 0.01 -4.91 105.19 108.41 1qba n GLY 876 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1qba n GLY 876 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qba n LYS 877 N -2.22 0.62 -4.27 1.61 5.02 -1.26 -4.87 118.16 112.77 1qba n LYS 877 Ca 0.00 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 1qba n LYS 877 Cb 0.03 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.13 1qba n LYS 877 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qba s ARG 878 N -3.16 1.10 0.08 1.97 0.52 -1.26 -5.02 118.95 113.18 1qba s ARG 878 Ca -0.02 -1.24 0.05 0.00 -0.52 0.00 0.00 55.73 54.00 1qba s ARG 878 Cb 0.09 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 1qba s ARG 878 CO 0.81 0.24 -0.14 0.71 0.02 0.00 0.00 175.30 176.94 1qba s TYR 879 N -1.76 1.24 1.11 -0.53 2.02 -1.26 -0.60 117.35 117.57 1qba s TYR 879 Ca 0.09 -0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 56.14 1qba s TYR 879 Cb -0.07 -0.69 0.25 0.00 -0.40 0.00 0.00 41.96 41.05 1qba s TYR 879 CO 0.04 0.07 1.16 -1.54 -1.57 0.00 0.00 175.55 173.70 1qba s SER 880 N -1.85 1.73 0.58 2.29 1.04 -0.37 -4.92 113.70 112.19 1qba s SER 880 Ca -0.00 0.62 -0.19 0.00 0.48 0.00 0.00 55.95 56.86 1qba s SER 880 Cb -0.09 -0.88 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 1qba s SER 880 CO 0.02 -3.62 1.18 0.00 0.98 0.00 0.00 173.24 171.80 1qba s ARG 881 N -5.46 3.08 -0.06 4.02 1.70 -1.26 -4.66 118.95 116.30 1qba s ARG 881 Ca 0.71 1.76 -0.13 0.00 -0.47 0.00 0.00 55.73 57.60 1qba s ARG 881 Cb -0.10 -1.95 -0.05 0.00 -0.57 0.00 0.00 34.95 32.28 1qba s ARG 881 CO 0.55 -1.11 0.33 0.00 -1.08 0.00 0.00 175.30 174.00 1qba s ALA 882 N -1.65 3.72 0.06 7.88 0.00 -1.26 -4.63 121.76 125.88 1qba s ALA 882 Ca 0.76 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1qba s ALA 882 Cb -0.28 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1qba s ALA 882 CO 0.31 0.44 -0.10 -1.21 0.00 0.00 0.00 175.76 175.20 1qba s GLU 883 N -0.78 0.70 0.17 0.00 2.02 -0.88 -4.95 118.70 114.98 1qba s GLU 883 Ca 0.21 -0.92 -0.19 0.00 0.02 0.00 0.00 54.97 54.09 1qba s GLU 883 Cb -0.15 -0.52 -0.08 0.00 0.10 0.00 0.00 34.13 33.48 1qba s GLU 883 CO 0.10 0.10 0.66 0.15 0.02 0.00 0.00 175.26 176.29 1qba s LYS 884 N -1.92 4.22 0.00 1.61 1.02 -1.26 -0.99 119.74 122.41 1qba s LYS 884 Ca -0.04 0.80 0.30 0.00 0.02 0.00 0.00 55.97 57.05 1qba s LYS 884 Cb -0.08 -3.01 1.79 0.00 -0.52 0.00 0.00 37.83 36.01 1qba s LYS 884 CO 0.01 0.48 2.12 0.28 -0.92 0.00 0.00 175.35 177.32