#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbb h GLN 29 N 0.00 1.06 -0.69 0.11 5.75 -1.97 -2.64 115.11 116.74 1qbb h GLN 29 Ca 0.00 -0.31 0.06 0.00 -0.15 0.00 0.00 58.65 58.26 1qbb h GLN 29 Cb 0.00 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.38 1qbb h GLN 29 CO 0.00 1.01 0.39 1.96 -2.65 0.00 0.00 178.83 179.54 1qbb h GLN 30 N 0.99 0.70 -0.36 1.69 4.20 -1.98 0.91 115.11 121.25 1qbb h GLN 30 Ca 0.19 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1qbb h GLN 30 Cb 0.49 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1qbb h GLN 30 CO 0.02 0.46 0.03 1.25 -0.67 0.00 0.00 178.83 179.92 1qbb h LEU 31 N 0.72 0.61 -0.43 1.46 5.85 -1.91 -1.78 115.31 119.83 1qbb h LEU 31 Ca 0.31 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1qbb h LEU 31 Cb 0.19 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1qbb h LEU 31 CO -0.18 0.74 0.24 0.58 -0.34 0.00 0.00 178.44 179.48 1qbb h VAL 32 N 0.45 1.15 -0.95 1.05 2.07 -1.07 -1.15 116.25 117.80 1qbb h VAL 32 Ca 0.11 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1qbb h VAL 32 Cb 0.42 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1qbb h VAL 32 CO 0.01 0.16 0.61 0.44 0.02 0.00 0.00 177.57 178.81 1qbb h ASP 33 N 0.56 0.91 -0.16 0.57 3.32 -0.67 -0.42 116.42 120.53 1qbb h ASP 33 Ca 0.15 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1qbb h ASP 33 Cb 0.04 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1qbb h ASP 33 CO -0.03 0.55 -0.04 1.56 -1.72 0.00 0.00 179.24 179.56 1qbb h GLN 34 N 1.01 0.32 -0.27 3.56 4.20 -1.01 -3.07 115.11 119.86 1qbb h GLN 34 Ca 0.43 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1qbb h GLN 34 Cb 0.31 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1qbb h GLN 34 CO -0.18 0.59 0.01 -0.07 -0.67 0.00 0.00 178.83 178.51 1qbb h LEU 35 N 0.02 0.36 -2.17 1.46 3.38 -0.94 -2.52 115.31 114.91 1qbb h LEU 35 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1qbb h LEU 35 Cb 0.48 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1qbb h LEU 35 CO 0.02 0.41 -0.06 0.77 0.09 0.00 0.00 178.44 179.67 1qbb h SER 36 N 0.38 0.00 -0.07 -0.43 4.64 -0.98 -1.34 113.55 115.76 1qbb h SER 36 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1qbb h SER 36 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1qbb h SER 36 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1qbb n GLN 37 N -3.52 2.01 -2.12 4.77 6.02 -0.95 -2.39 117.38 121.20 1qbb n GLN 37 Ca -0.02 -1.48 -0.40 0.00 -0.01 0.00 0.00 57.00 55.09 1qbb n GLN 37 Cb 0.19 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 1qbb n GLN 37 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qbb s LEU 38 N -1.91 4.35 -0.22 1.08 1.43 -0.51 -4.70 118.68 118.21 1qbb s LEU 38 Ca 0.34 2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 56.00 1qbb s LEU 38 Cb 0.20 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1qbb s LEU 38 CO 0.31 -0.62 0.08 -0.54 0.23 0.00 0.00 176.35 175.81 1qbb s LYS 39 N -1.95 3.85 0.09 1.70 1.02 -0.35 -4.58 119.74 119.53 1qbb s LYS 39 Ca 0.52 -0.39 -0.13 0.00 0.02 0.00 0.00 55.97 55.98 1qbb s LYS 39 Cb -0.38 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.56 1qbb s LYS 39 CO 0.51 0.04 0.47 -1.17 -0.92 0.00 0.00 175.35 174.28 1qbb s LEU 40 N 1.01 4.37 -0.03 3.17 2.96 -1.26 -1.36 118.68 127.54 1qbb s LEU 40 Ca 0.04 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1qbb s LEU 40 Cb -0.14 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1qbb s LEU 40 CO 0.03 0.17 -0.06 0.21 -1.32 0.00 0.00 176.35 175.39 1qbb s ASN 41 N -1.61 0.96 -0.14 3.68 3.84 -0.45 -4.63 114.94 116.58 1qbb s ASN 41 Ca 0.33 -0.14 -0.01 0.00 0.21 0.00 0.00 52.86 53.26 1qbb s ASN 41 Cb -0.15 -0.38 -0.02 0.00 -0.55 0.00 0.00 41.25 40.15 1qbb s ASN 41 CO 0.18 -0.01 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.67 1qbb s VAL 42 N 0.62 3.17 -0.06 -5.21 1.01 0.18 -1.36 120.40 118.74 1qbb s VAL 42 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1qbb s VAL 42 Cb -0.12 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1qbb s VAL 42 CO 0.00 0.51 -0.03 -0.75 0.00 0.00 0.00 175.10 174.83 1qbb s LYS 43 N 0.44 0.87 0.13 2.72 2.20 -0.85 -0.39 119.74 124.86 1qbb s LYS 43 Ca -0.09 -0.06 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 1qbb s LYS 43 Cb -0.16 -1.01 -0.08 0.00 -1.51 0.00 0.00 37.83 35.08 1qbb s LYS 43 CO 0.04 -0.18 1.40 1.41 -0.36 0.00 0.00 175.35 177.66 1qbb s MET 44 N 1.40 4.32 -0.20 4.03 -2.45 -1.26 -0.82 119.30 124.31 1qbb s MET 44 Ca -0.03 2.10 -0.06 0.00 -1.25 0.00 0.00 55.69 56.46 1qbb s MET 44 Cb -0.13 -3.23 -0.11 0.00 1.25 0.00 0.00 34.83 32.61 1qbb s MET 44 CO -0.03 -0.43 -0.23 1.28 1.05 0.00 0.00 175.02 176.66 1qbb n LEU 45 N 3.72 2.10 -3.58 4.11 4.77 -0.62 -4.88 117.00 122.62 1qbb n LEU 45 Ca 0.11 0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1qbb n LEU 45 Cb 0.42 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1qbb n LEU 45 CO 0.59 0.60 0.25 -0.62 -1.33 0.00 0.00 177.39 176.88 1qbb s ASP 46 N -6.48 -1.17 0.00 -1.43 -1.08 -0.76 -4.97 116.67 100.78 1qbb s ASP 46 Ca -0.28 1.48 0.27 0.00 -0.52 0.00 0.00 52.55 53.50 1qbb s ASP 46 Cb 0.09 2.28 0.94 0.00 -1.46 0.00 0.00 42.92 44.78 1qbb s ASP 46 CO 0.40 -0.22 1.69 0.59 0.52 0.00 0.00 175.17 178.14 1qbb n ASN 47 N 5.44 0.73 -2.64 -0.34 3.02 -1.26 -0.54 115.26 119.67 1qbb n ASN 47 Ca -0.11 -0.68 -0.19 0.00 -0.03 0.00 0.00 54.58 53.58 1qbb n ASN 47 Cb 0.49 0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 1qbb n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qbb n ARG 48 N -0.86 2.30 0.23 3.52 1.74 -1.26 -4.61 116.66 117.73 1qbb n ARG 48 Ca 0.12 -3.94 0.11 0.00 -0.77 0.00 0.00 57.85 53.37 1qbb n ARG 48 Cb 0.32 -1.80 0.69 0.00 -1.02 0.00 0.00 32.46 30.65 1qbb n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qbb h ALA 49 N 2.82 1.99 0.00 7.54 0.00 -1.42 -2.51 119.26 127.68 1qbb h ALA 49 Ca 0.11 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1qbb h ALA 49 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1qbb h ALA 49 CO 0.68 -0.09 -0.34 0.78 0.00 0.00 0.00 179.25 180.28 1qbb h GLY 50 N 0.00 0.00 1.96 0.00 0.00 -1.72 -1.73 103.07 101.58 1qbb h GLY 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1qbb h GLY 50 CO -0.00 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.34 1qbb h GLU 51 N 0.00 0.00 -0.46 4.80 5.08 -1.74 -3.39 114.58 118.87 1qbb h GLU 51 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1qbb h GLU 51 Cb 0.66 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.67 1qbb h GLU 51 CO 0.04 0.00 -0.54 0.09 -1.00 0.00 0.00 179.01 177.60 1qbb n ASN 52 N -2.47 3.68 0.00 1.42 3.02 -0.72 -4.96 115.26 115.24 1qbb n ASN 52 Ca 0.05 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1qbb n ASN 52 Cb 0.46 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1qbb n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qbb n GLY 53 N -0.91 0.75 3.75 7.41 0.00 -1.22 -5.02 105.19 109.96 1qbb n GLY 53 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1qbb n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbb s VAL 54 N -2.67 5.20 -1.04 1.61 1.01 -0.79 -5.01 120.40 118.70 1qbb s VAL 54 Ca 0.00 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1qbb s VAL 54 Cb 0.00 -3.72 0.11 0.00 0.00 0.00 0.00 36.38 32.77 1qbb s VAL 54 CO 0.00 0.41 1.33 -0.62 0.00 0.00 0.00 175.10 176.22 1qbb s ASP 55 N 0.15 6.71 0.26 3.32 -1.08 -1.26 -4.14 116.67 120.63 1qbb s ASP 55 Ca 0.22 -2.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 1qbb s ASP 55 Cb -0.15 -2.46 0.36 0.00 -1.46 0.00 0.00 42.92 39.21 1qbb s ASP 55 CO 0.09 -1.11 1.71 0.00 0.52 0.00 0.00 175.17 176.38 1qbb h ALA 57 N 1.26 0.62 0.00 0.00 0.00 -1.80 -1.86 119.26 117.48 1qbb h ALA 57 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1qbb h ALA 57 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1qbb h ALA 57 CO 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 179.25 179.07 1qbb h ALA 58 N 1.27 1.39 -0.00 0.00 0.00 -1.80 -0.80 119.26 119.32 1qbb h ALA 58 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qbb h ALA 58 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qbb h ALA 58 CO -0.15 0.15 -0.03 1.28 0.00 0.00 0.00 179.25 180.49 1qbb n LEU 59 N -3.80 0.44 0.00 0.00 4.77 -0.75 -4.82 117.00 112.84 1qbb n LEU 59 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1qbb n LEU 59 Cb 0.22 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1qbb n LEU 59 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1qbb n GLY 60 N 1.13 0.53 3.71 -0.72 0.00 -0.67 -4.94 105.19 104.23 1qbb n GLY 60 Ca 0.20 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1qbb n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbb s ALA 61 N -2.00 3.25 0.09 4.61 0.00 -0.90 -4.59 121.76 122.23 1qbb s ALA 61 Ca 0.00 0.66 -0.35 0.00 0.00 0.00 0.00 51.96 52.27 1qbb s ALA 61 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1qbb s ALA 61 CO 0.00 -0.32 1.57 -3.47 0.00 0.00 0.00 175.76 173.54 1qbb n ASP 62 N 3.93 2.76 -2.45 0.00 2.03 -1.26 -0.64 116.55 120.93 1qbb n ASP 62 Ca 0.07 1.08 -0.15 0.00 0.52 0.00 0.00 54.79 56.31 1qbb n ASP 62 Cb 0.49 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 1qbb n ASP 62 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1qbb n TRP 63 N 3.69 -1.30 -4.03 -0.67 7.02 -0.56 -2.19 117.44 119.40 1qbb n TRP 63 Ca 0.18 0.01 -0.31 0.00 -1.02 0.00 0.00 57.50 56.36 1qbb n TRP 63 Cb 0.26 -3.16 -0.00 0.00 -2.42 0.00 0.00 31.31 25.99 1qbb n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qbb n ALA 64 N -2.19 -1.43 -3.36 6.99 0.00 0.19 -4.70 120.51 116.01 1qbb n ALA 64 Ca -0.18 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1qbb n ALA 64 Cb 0.63 -3.51 -0.16 0.00 0.00 0.00 0.00 19.45 16.42 1qbb n ALA 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qbb s SER 65 N -3.52 3.52 0.16 0.00 0.01 -0.93 -4.54 113.70 108.40 1qbb s SER 65 Ca 0.56 -0.48 -0.15 0.00 1.31 0.00 0.00 55.95 57.18 1qbb s SER 65 Cb -0.29 -1.52 0.02 0.00 0.21 0.00 0.00 66.02 64.44 1qbb s SER 65 CO 0.88 0.12 0.43 0.00 0.41 0.00 0.00 173.24 175.07 1qbb s ASN 67 N -2.86 1.01 -0.13 0.00 2.20 -0.32 -1.61 114.94 113.23 1qbb s ASN 67 Ca 0.08 -0.89 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 1qbb s ASN 67 Cb 0.01 0.09 -0.01 0.00 -2.00 0.00 0.00 41.25 39.34 1qbb s ASN 67 CO -0.06 -0.41 -0.17 -0.13 -2.94 0.00 0.00 177.10 173.39 1qbb s ARG 68 N -3.25 3.22 0.07 3.55 0.52 0.30 -0.16 118.95 123.20 1qbb s ARG 68 Ca 0.06 -0.77 0.06 0.00 -0.52 0.00 0.00 55.73 54.56 1qbb s ARG 68 Cb 0.01 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1qbb s ARG 68 CO -0.04 0.14 -0.18 0.08 0.02 0.00 0.00 175.30 175.33 1qbb s VAL 69 N 0.48 1.42 -0.23 3.52 1.01 -0.33 -1.59 120.40 124.68 1qbb s VAL 69 Ca -0.12 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.53 1qbb s VAL 69 Cb -0.16 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1qbb s VAL 69 CO 0.05 -0.02 0.03 -0.22 0.00 0.00 0.00 175.10 174.93 1qbb s LEU 70 N -1.51 3.25 -0.23 3.92 2.96 0.00 -0.23 118.68 126.84 1qbb s LEU 70 Ca 0.04 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.55 1qbb s LEU 70 Cb -0.09 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1qbb s LEU 70 CO 0.02 -0.02 0.29 -0.36 -1.32 0.00 0.00 176.35 174.97 1qbb s PHE 71 N 1.49 3.32 -0.16 5.38 0.08 -0.06 -2.01 117.98 126.01 1qbb s PHE 71 Ca 0.06 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 1qbb s PHE 71 Cb -0.15 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1qbb s PHE 71 CO 0.01 -0.04 -0.11 0.99 -0.10 0.00 0.00 175.22 175.97 1qbb s THR 72 N 1.41 3.09 -0.27 0.64 2.01 -0.47 -0.22 115.64 121.84 1qbb s THR 72 Ca 0.13 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1qbb s THR 72 Cb -0.15 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.07 1qbb s THR 72 CO 0.07 0.50 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.70 1qbb s LEU 73 N 0.71 3.49 -0.14 4.42 1.43 -0.75 -1.34 118.68 126.50 1qbb s LEU 73 Ca -0.05 -1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 51.93 1qbb s LEU 73 Cb -0.15 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1qbb s LEU 73 CO 0.02 -0.18 0.09 -0.44 0.23 0.00 0.00 176.35 176.06 1qbb s SER 74 N 1.29 5.90 -0.29 2.29 0.01 -0.46 -0.52 113.70 121.92 1qbb s SER 74 Ca -0.02 0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.49 1qbb s SER 74 Cb -0.18 -1.90 0.05 0.00 0.21 0.00 0.00 66.02 64.19 1qbb s SER 74 CO -0.03 0.32 -0.01 0.21 0.41 0.00 0.00 173.24 174.14 1qbb s ASN 75 N -0.49 4.82 -0.00 2.44 2.47 -0.72 -1.21 114.94 122.25 1qbb s ASN 75 Ca 0.11 -1.20 0.22 0.00 0.42 0.00 0.00 52.86 52.41 1qbb s ASN 75 Cb -0.12 -1.71 0.63 0.00 -1.45 0.00 0.00 41.25 38.60 1qbb s ASN 75 CO 0.02 -0.24 1.53 -0.90 -3.72 0.00 0.00 177.10 173.79 1qbb n ASP 76 N 4.64 3.84 0.00 -4.21 5.75 -1.26 -0.93 116.55 124.37 1qbb n ASP 76 Ca -0.14 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1qbb n ASP 76 Cb 0.44 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1qbb n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qbb n GLY 77 N 1.63 5.20 3.82 6.12 0.00 -1.26 -4.75 105.19 115.95 1qbb n GLY 77 Ca 0.24 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1qbb n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qbb s GLN 78 N 1.97 2.25 0.26 1.61 -2.07 -1.26 -2.98 119.66 119.45 1qbb s GLN 78 Ca 0.00 0.61 -0.30 0.00 -1.82 0.00 0.00 55.36 53.85 1qbb s GLN 78 Cb 0.00 -1.94 -0.14 0.00 -1.09 0.00 0.00 33.01 29.84 1qbb s GLN 78 CO 0.00 -1.50 1.27 0.00 -1.32 0.00 0.00 175.29 173.74 1qbb n ALA 79 N -3.35 0.63 -3.63 2.60 0.00 -1.26 -4.60 120.51 110.90 1qbb n ALA 79 Ca 0.07 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 1qbb n ALA 79 Cb 0.56 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 1qbb n ALA 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qbb s ILE 80 N -0.51 3.52 -0.62 0.00 1.01 0.33 -4.93 121.20 119.99 1qbb s ILE 80 Ca 0.64 -1.79 0.13 0.00 0.00 0.00 0.00 60.65 59.62 1qbb s ILE 80 Cb -0.67 -3.29 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 1qbb s ILE 80 CO 0.55 -0.57 0.55 0.47 0.00 0.00 0.00 174.94 175.93 1qbb n ASP 81 N 4.69 0.62 -4.74 3.58 8.00 -1.26 -0.12 116.55 127.33 1qbb n ASP 81 Ca -0.06 -0.81 -0.34 0.00 0.71 0.00 0.00 54.79 54.28 1qbb n ASP 81 Cb 0.42 0.98 0.07 0.00 -0.02 0.00 0.00 41.12 42.57 1qbb n ASP 81 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qbb s GLY 82 N -2.19 2.39 -0.00 0.44 0.00 -1.26 -4.79 107.32 101.91 1qbb s GLY 82 Ca 0.05 0.82 0.04 0.00 0.00 0.00 0.00 44.72 45.64 1qbb s GLY 82 CO 0.52 1.21 0.17 0.28 0.00 0.00 0.00 173.10 175.28 1qbb n LYS 83 N -2.37 4.96 -1.39 2.90 5.02 -1.26 -4.81 118.16 121.21 1qbb n LYS 83 Ca 0.13 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1qbb n LYS 83 Cb 0.51 -0.75 -0.04 0.00 -0.02 0.00 0.00 35.03 34.73 1qbb n LYS 83 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qbb n ASP 84 N -1.16 8.26 -3.94 4.39 2.03 -1.26 -4.83 116.55 120.04 1qbb n ASP 84 Ca 0.01 -2.67 -0.09 0.00 0.52 0.00 0.00 54.79 52.56 1qbb n ASP 84 Cb 0.07 -1.51 -0.09 0.00 -0.72 0.00 0.00 41.12 38.87 1qbb n ASP 84 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1qbb s TRP 85 N 1.43 0.22 -0.02 -0.67 1.48 -1.26 -4.11 118.94 116.01 1qbb s TRP 85 Ca 0.67 -0.55 0.03 0.00 -1.06 0.00 0.00 56.10 55.19 1qbb s TRP 85 Cb 0.20 -0.16 0.00 0.00 -1.16 0.00 0.00 33.47 32.35 1qbb s TRP 85 CO -0.06 -0.36 -0.09 0.08 -4.06 0.00 0.00 176.95 172.45 1qbb s VAL 86 N -2.68 0.76 -0.20 -0.66 1.01 -0.59 -4.55 120.40 113.49 1qbb s VAL 86 Ca -0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1qbb s VAL 86 Cb -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1qbb s VAL 86 CO -0.05 0.23 -0.00 -0.63 0.00 0.00 0.00 175.10 174.65 1qbb s ILE 87 N 0.07 3.95 -0.13 2.22 1.01 -0.13 -1.15 121.20 127.04 1qbb s ILE 87 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1qbb s ILE 87 Cb -0.07 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1qbb s ILE 87 CO 0.00 0.43 0.16 -0.31 0.00 0.00 0.00 174.94 175.22 1qbb s TYR 88 N 0.96 3.57 0.07 3.97 1.51 0.48 0.42 117.35 128.33 1qbb s TYR 88 Ca 0.01 0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 56.52 1qbb s TYR 88 Cb -0.14 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1qbb s TYR 88 CO 0.02 0.64 0.15 -0.59 -1.11 0.00 0.00 175.55 174.66 1qbb s PHE 89 N -0.74 0.20 0.04 2.71 -0.71 -0.69 -1.23 117.98 117.56 1qbb s PHE 89 Ca 0.14 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1qbb s PHE 89 Cb -0.12 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 1qbb s PHE 89 CO 0.03 -0.49 -0.10 -1.01 -1.34 0.00 0.00 175.22 172.31 1qbb s HIS 90 N -3.62 2.76 -0.24 3.49 3.76 -1.26 -1.17 115.29 119.01 1qbb s HIS 90 Ca 0.03 -0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.57 1qbb s HIS 90 Cb 0.04 -1.52 0.07 0.00 1.11 0.00 0.00 32.58 32.28 1qbb s HIS 90 CO -0.10 0.36 0.69 0.45 -0.85 0.00 0.00 174.74 175.29 1qbb s SER 91 N -1.65 -0.71 0.00 1.40 0.15 -0.55 -4.33 113.70 108.02 1qbb s SER 91 Ca 0.18 1.33 0.26 0.00 0.70 0.00 0.00 55.95 58.43 1qbb s SER 91 Cb -0.11 1.34 1.28 0.00 -1.71 0.00 0.00 66.02 66.82 1qbb s SER 91 CO 0.09 -0.26 1.88 -0.81 1.20 0.00 0.00 173.24 175.34 1qbb n PRO 92 N 2.58 0.28 -4.83 5.44 -0.04 -1.26 -4.54 135.00 132.63 1qbb n PRO 92 Ca -0.14 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 1qbb n PRO 92 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1qbb n PRO 92 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qbb s ARG 93 N -2.68 2.72 0.20 0.54 1.81 -1.26 -5.08 118.95 115.19 1qbb s ARG 93 Ca 0.22 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.26 1qbb s ARG 93 Cb 0.18 -2.46 -0.08 0.00 -0.45 0.00 0.00 34.95 32.14 1qbb s ARG 93 CO 0.42 0.55 1.09 -0.65 -0.68 0.00 0.00 175.30 176.03 1qbb s GLN 94 N -0.52 4.61 -0.15 3.54 -0.21 -1.26 -4.87 119.66 120.80 1qbb s GLN 94 Ca 0.07 1.72 -0.26 0.00 0.02 0.00 0.00 55.36 56.91 1qbb s GLN 94 Cb -0.12 -3.26 -0.01 0.00 1.00 0.00 0.00 33.01 30.61 1qbb s GLN 94 CO 0.02 0.12 0.86 0.99 -2.12 0.00 0.00 175.29 175.15 1qbb s THR 95 N -0.42 4.87 -0.04 -0.19 2.01 -1.26 -1.04 115.64 119.56 1qbb s THR 95 Ca 0.48 1.70 0.14 0.00 0.31 0.00 0.00 61.69 64.32 1qbb s THR 95 Cb -0.30 -4.16 -0.22 0.00 0.01 0.00 0.00 72.50 67.83 1qbb s THR 95 CO 0.36 0.03 0.27 0.18 -0.69 0.00 0.00 174.62 174.76 1qbb n LEU 96 N 5.14 0.00 -3.61 4.42 4.77 0.96 -4.95 117.00 123.74 1qbb n LEU 96 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 1qbb n LEU 96 Cb 0.49 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1qbb n LEU 96 CO 0.49 0.07 0.35 -0.60 -1.33 0.00 0.00 177.39 176.36 1qbb s ARG 97 N -2.89 0.88 -0.11 3.23 3.52 -1.12 -4.97 118.95 117.50 1qbb s ARG 97 Ca -0.06 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1qbb s ARG 97 Cb 0.08 0.42 0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1qbb s ARG 97 CO 0.60 -0.21 -0.16 0.08 -0.81 0.00 0.00 175.30 174.80 1qbb s VAL 98 N -0.55 1.56 -0.69 7.11 1.01 -1.26 -1.43 120.40 126.14 1qbb s VAL 98 Ca -0.07 -0.69 0.16 0.00 0.00 0.00 0.00 61.98 61.39 1qbb s VAL 98 Cb -0.03 -1.41 0.64 0.00 0.00 0.00 0.00 36.38 35.58 1qbb s VAL 98 CO 0.05 0.45 1.56 0.47 0.00 0.00 0.00 175.10 177.63 1qbb n ASP 99 N 4.10 4.52 -3.94 3.32 8.00 -0.29 -4.76 116.55 127.51 1qbb n ASP 99 Ca -0.19 -2.63 -0.30 0.00 0.71 0.00 0.00 54.79 52.37 1qbb n ASP 99 Cb 0.51 -0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 1qbb n ASP 99 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qbb s ASN 100 N -1.15 3.99 0.00 -2.24 3.84 -1.26 -4.78 114.94 113.34 1qbb s ASN 100 Ca 0.46 -1.32 0.24 0.00 0.21 0.00 0.00 52.86 52.45 1qbb s ASN 100 Cb 0.32 -1.22 1.41 0.00 -0.55 0.00 0.00 41.25 41.21 1qbb s ASN 100 CO 0.18 -0.26 1.80 -0.90 -2.79 0.00 0.00 177.10 175.13 1qbb n ASP 101 N 4.63 0.00 0.01 -4.21 5.75 -1.26 -2.07 116.55 119.40 1qbb n ASP 101 Ca -0.10 -0.87 0.12 0.00 -0.01 0.00 0.00 54.79 53.93 1qbb n ASP 101 Cb 0.44 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.04 1qbb n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qbb n GLN 102 N -0.96 0.01 -4.22 0.11 6.02 -1.26 -4.62 117.38 112.46 1qbb n GLN 102 Ca 0.18 0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 57.13 1qbb n GLN 102 Cb 0.08 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 29.72 1qbb n GLN 102 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1qbb s PHE 103 N -3.01 1.13 0.02 1.08 0.08 -0.88 -0.81 117.98 115.59 1qbb s PHE 103 Ca 0.12 -0.83 -0.06 0.00 0.12 0.00 0.00 56.93 56.27 1qbb s PHE 103 Cb 0.16 -0.60 -0.00 0.00 -0.57 0.00 0.00 43.02 42.00 1qbb s PHE 103 CO 0.45 -0.02 0.11 -1.59 -0.10 0.00 0.00 175.22 174.07 1qbb s LYS 104 N -3.79 0.50 -0.07 0.44 -2.85 0.11 -4.77 119.74 109.31 1qbb s LYS 104 Ca 0.15 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.62 1qbb s LYS 104 Cb 0.04 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1qbb s LYS 104 CO -0.01 -0.12 -0.19 0.42 0.10 0.00 0.00 175.35 175.55 1qbb s ILE 105 N -1.82 1.63 0.07 3.79 1.01 -1.26 -0.36 121.20 124.27 1qbb s ILE 105 Ca -0.12 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1qbb s ILE 105 Cb -0.06 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1qbb s ILE 105 CO -0.01 0.46 -0.15 0.00 0.00 0.00 0.00 174.94 175.24 1qbb s ALA 106 N 0.36 1.27 0.03 9.38 0.00 -0.61 -4.96 121.76 127.23 1qbb s ALA 106 Ca -0.14 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 1qbb s ALA 106 Cb -0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 1qbb s ALA 106 CO 0.06 0.20 0.57 -1.58 0.00 0.00 0.00 175.76 175.00 1qbb s HIS 107 N -1.22 3.74 0.00 0.00 2.46 -1.26 -0.19 115.29 118.82 1qbb s HIS 107 Ca -0.00 1.21 0.00 0.00 0.47 0.00 0.00 55.06 56.74 1qbb s HIS 107 Cb -0.10 -2.54 0.00 0.00 -0.13 0.00 0.00 32.58 29.82 1qbb s HIS 107 CO 0.02 0.47 0.00 -0.11 -2.47 0.00 0.00 174.74 172.66 1qbb n LEU 108 N 2.24 0.77 -3.52 8.88 7.94 -0.07 -4.92 117.00 128.33 1qbb n LEU 108 Ca -0.09 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.64 1qbb n LEU 108 Cb 0.51 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.40 1qbb n LEU 108 CO 0.42 0.00 0.43 0.28 -1.11 0.00 0.00 177.39 177.41 1qbb s THR 109 N 0.00 0.00 0.00 1.96 -1.32 -1.23 -5.03 115.64 110.03 1qbb s THR 109 Ca 0.00 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1qbb s THR 109 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1qbb s THR 109 CO 0.00 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1qbb n GLY 110 N 0.81 2.30 0.82 6.08 0.00 -0.35 -2.10 105.19 112.75 1qbb n GLY 110 Ca -0.19 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.46 1qbb n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qbb n ASP 111 N 3.64 2.38 -4.61 1.61 5.75 -1.26 -4.70 116.55 119.36 1qbb n ASP 111 Ca 0.00 -2.00 -0.38 0.00 -0.01 0.00 0.00 54.79 52.40 1qbb n ASP 111 Cb 0.00 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 39.69 1qbb n ASP 111 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qbb s LEU 112 N -1.00 4.05 0.19 -2.12 2.96 -0.89 -1.48 118.68 120.39 1qbb s LEU 112 Ca 0.30 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.44 1qbb s LEU 112 Cb 0.15 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1qbb s LEU 112 CO 0.20 -0.08 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.66 1qbb s TYR 113 N 1.72 1.92 -0.05 5.38 1.51 -0.32 -0.89 117.35 126.62 1qbb s TYR 113 Ca 0.10 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1qbb s TYR 113 Cb -0.15 -0.92 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1qbb s TYR 113 CO 0.09 0.41 -0.18 -1.59 -1.11 0.00 0.00 175.55 173.18 1qbb s LYS 114 N -3.04 1.85 -0.24 -0.62 -2.85 0.74 -1.70 119.74 113.87 1qbb s LYS 114 Ca 0.20 -0.63 -0.09 0.00 -1.00 0.00 0.00 55.97 54.45 1qbb s LYS 114 Cb -0.05 -1.60 -0.04 0.00 -2.06 0.00 0.00 37.83 34.08 1qbb s LYS 114 CO 0.08 0.25 0.11 -1.17 0.10 0.00 0.00 175.35 174.72 1qbb s LEU 115 N 0.04 3.78 0.09 2.77 2.96 0.17 -1.57 118.68 126.92 1qbb s LEU 115 Ca -0.04 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1qbb s LEU 115 Cb -0.12 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1qbb s LEU 115 CO 0.02 0.02 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.37 1qbb s GLU 116 N 1.29 0.79 0.30 1.98 2.02 0.51 -0.96 118.70 124.64 1qbb s GLU 116 Ca 0.06 -1.09 -0.28 0.00 0.02 0.00 0.00 54.97 53.68 1qbb s GLU 116 Cb -0.15 -0.51 -0.09 0.00 0.10 0.00 0.00 34.13 33.48 1qbb s GLU 116 CO 0.05 0.08 1.03 -1.25 0.02 0.00 0.00 175.26 175.20 1qbb s PRO 117 N -2.56 4.57 0.58 0.39 0.04 -1.26 0.10 135.00 136.86 1qbb s PRO 117 Ca 0.03 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1qbb s PRO 117 Cb -0.04 -3.01 0.11 0.00 0.04 0.00 0.00 34.50 31.60 1qbb s PRO 117 CO 0.00 0.20 0.80 0.25 0.04 0.00 0.00 177.00 178.29 1qbb n THR 118 N 0.88 0.00 0.30 1.26 -2.24 0.01 -4.77 114.28 109.72 1qbb n THR 118 Ca 0.00 -1.29 0.17 0.00 -2.27 0.00 0.00 64.05 60.66 1qbb n THR 118 Cb 0.47 -0.96 0.92 0.00 -2.10 0.00 0.00 70.33 68.66 1qbb n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qbb h ALA 119 N -0.52 1.25 -0.00 6.98 0.00 -1.88 -2.03 119.26 123.07 1qbb h ALA 119 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1qbb h ALA 119 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qbb h ALA 119 CO 0.29 0.05 -0.05 1.63 0.00 0.00 0.00 179.25 181.17 1qbb n LYS 120 N -3.50 0.27 -1.73 0.00 5.02 -1.26 -4.89 118.16 112.07 1qbb n LYS 120 Ca -0.02 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 1qbb n LYS 120 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1qbb n LYS 120 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qbb n PHE 121 N -1.34 2.81 -0.79 2.13 7.35 -0.76 -4.75 117.46 122.11 1qbb n PHE 121 Ca 0.11 0.11 0.05 0.00 -0.76 0.00 0.00 57.45 56.96 1qbb n PHE 121 Cb 0.29 -2.65 0.07 0.00 0.35 0.00 0.00 39.48 37.54 1qbb n PHE 121 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1qbb n SER 122 N 3.32 1.86 0.00 -2.13 3.41 -1.26 -4.98 113.62 113.84 1qbb n SER 122 Ca 0.13 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1qbb n SER 122 Cb 0.36 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1qbb n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qbb n GLY 123 N -0.89 2.25 3.48 5.00 0.00 -1.26 -4.89 105.19 108.87 1qbb n GLY 123 Ca 0.08 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1qbb n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qbb s PHE 124 N -2.76 3.16 0.66 1.61 0.08 0.83 -4.96 117.98 116.60 1qbb s PHE 124 Ca 0.00 -0.38 -0.16 0.00 0.12 0.00 0.00 56.93 56.51 1qbb s PHE 124 Cb 0.00 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 1qbb s PHE 124 CO 0.00 -0.73 1.16 -2.14 -0.10 0.00 0.00 175.22 173.41 1qbb s PRO 125 N 2.20 2.65 0.15 0.24 0.02 -1.26 -0.51 135.00 138.48 1qbb s PRO 125 Ca 0.13 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.45 1qbb s PRO 125 Cb -0.17 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.34 1qbb s PRO 125 CO 0.14 -1.41 1.60 0.00 -0.33 0.00 0.00 177.00 176.99 1qbb s ALA 126 N -2.03 3.77 -1.76 -1.55 0.00 -1.26 -3.29 121.76 115.63 1qbb s ALA 126 Ca 0.72 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1qbb s ALA 126 Cb -0.26 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1qbb s ALA 126 CO 0.40 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1qbb n GLY 127 N 3.82 1.62 3.49 0.00 0.00 -0.11 -4.94 105.19 109.07 1qbb n GLY 127 Ca 0.14 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1qbb n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbb s LYS 128 N -3.38 1.69 -0.09 1.61 1.02 -1.14 -4.89 119.74 114.57 1qbb s LYS 128 Ca 0.00 -1.86 -0.03 0.00 0.02 0.00 0.00 55.97 54.10 1qbb s LYS 128 Cb 0.00 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 1qbb s LYS 128 CO 0.00 0.11 0.05 0.00 -0.92 0.00 0.00 175.35 174.59 1qbb s ALA 129 N -2.79 3.51 -0.15 5.17 0.00 -1.26 -1.76 121.76 124.48 1qbb s ALA 129 Ca 0.31 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 1qbb s ALA 129 Cb 0.03 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1qbb s ALA 129 CO 0.14 0.61 -0.01 0.08 0.00 0.00 0.00 175.76 176.58 1qbb s VAL 130 N -0.97 4.16 -0.20 0.00 1.01 0.32 -4.95 120.40 119.77 1qbb s VAL 130 Ca 0.15 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1qbb s VAL 130 Cb -0.12 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1qbb s VAL 130 CO 0.04 0.50 0.07 -1.61 0.00 0.00 0.00 175.10 174.10 1qbb s GLU 131 N 0.20 3.91 -0.43 2.72 2.02 -1.26 -1.82 118.70 124.05 1qbb s GLU 131 Ca -0.00 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1qbb s GLU 131 Cb -0.13 -3.24 0.12 0.00 0.10 0.00 0.00 34.13 30.97 1qbb s GLU 131 CO 0.02 0.18 0.17 0.42 0.02 0.00 0.00 175.26 176.07 1qbb s ILE 132 N 0.64 2.06 0.15 -1.63 1.01 0.70 -4.78 121.20 119.35 1qbb s ILE 132 Ca 0.03 -2.66 -0.30 0.00 0.00 0.00 0.00 60.65 57.73 1qbb s ILE 132 Cb -0.13 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.80 1qbb s ILE 132 CO 0.02 -0.75 0.97 -2.84 0.00 0.00 0.00 174.94 172.34 1qbb s PRO 133 N 0.41 4.73 0.14 2.79 0.02 -1.26 -0.89 135.00 140.94 1qbb s PRO 133 Ca 0.14 1.49 0.05 0.00 0.02 0.00 0.00 61.00 62.71 1qbb s PRO 133 Cb -0.23 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 1qbb s PRO 133 CO -0.05 0.27 -0.12 0.14 -0.33 0.00 0.00 177.00 176.91 1qbb s VAL 134 N -0.32 1.24 -0.19 3.83 -7.23 0.68 -1.14 120.40 117.27 1qbb s VAL 134 Ca 0.46 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1qbb s VAL 134 Cb -0.25 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1qbb s VAL 134 CO 0.31 -0.62 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.75 1qbb s VAL 135 N -2.88 3.64 0.28 1.32 1.01 -0.52 -1.19 120.40 122.08 1qbb s VAL 135 Ca 0.14 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1qbb s VAL 135 Cb -0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1qbb s VAL 135 CO 0.02 0.45 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 1qbb s ALA 136 N 1.00 3.10 0.56 5.51 0.00 0.77 -0.03 121.76 132.67 1qbb s ALA 136 Ca 0.01 -1.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 1qbb s ALA 136 Cb -0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1qbb s ALA 136 CO 0.01 0.23 1.09 -2.00 0.00 0.00 0.00 175.76 175.08 1qbb s GLU 137 N -3.65 3.38 7.55 0.00 2.12 -0.21 -1.18 118.70 126.71 1qbb s GLU 137 Ca 0.32 1.43 0.00 0.00 0.36 0.00 0.00 54.97 57.07 1qbb s GLU 137 Cb -0.05 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.31 1qbb s GLU 137 CO 0.19 -0.79 0.00 0.66 -0.54 0.00 0.00 175.26 174.78 1qbb n TYR 138 N -1.54 0.00 -3.70 5.30 4.01 0.14 -4.69 117.16 116.68 1qbb n TYR 138 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1qbb n TYR 138 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 1qbb n TYR 138 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 1qbb s TRP 139 N 0.00 -0.16 -0.50 -0.72 -2.14 -1.26 -2.74 118.94 111.42 1qbb s TRP 139 Ca 0.00 -0.04 0.03 0.00 2.66 0.00 0.00 56.10 58.76 1qbb s TRP 139 Cb 0.00 0.17 0.15 0.00 -3.10 0.00 0.00 33.47 30.69 1qbb s TRP 139 CO 0.00 -0.59 0.34 -0.65 -2.66 0.00 0.00 176.95 173.39 1qbb s GLN 140 N -3.07 1.49 0.25 3.25 -0.21 -1.26 -5.00 119.66 115.10 1qbb s GLN 140 Ca -0.01 -2.40 0.24 0.00 0.02 0.00 0.00 55.36 53.21 1qbb s GLN 140 Cb 0.01 -2.35 0.38 0.00 1.00 0.00 0.00 33.01 32.04 1qbb s GLN 140 CO -0.07 -1.26 1.45 -0.07 -2.12 0.00 0.00 175.29 173.22 1qbb h LEU 141 N 6.04 0.00 -8.49 2.90 3.38 -1.90 -3.45 115.31 113.79 1qbb h LEU 141 Ca 0.12 -0.06 -0.66 0.00 0.09 0.00 0.00 57.88 57.37 1qbb h LEU 141 Cb 0.87 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.32 1qbb h LEU 141 CO 0.51 0.03 -0.87 -0.36 0.09 0.00 0.00 178.44 177.84 1qbb s PHE 142 N -3.21 2.17 0.61 1.13 0.40 -1.26 -4.59 117.98 113.23 1qbb s PHE 142 Ca 0.06 -0.49 0.31 0.00 -0.60 0.00 0.00 56.93 56.22 1qbb s PHE 142 Cb 0.10 -1.41 1.83 0.00 0.51 0.00 0.00 43.02 44.05 1qbb s PHE 142 CO 0.69 -0.09 2.19 0.00 0.70 0.00 0.00 175.22 178.71 1qbb h ARG 143 N 5.74 0.00 0.00 0.44 3.08 -1.49 -1.36 114.38 120.79 1qbb h ARG 143 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1qbb h ARG 143 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1qbb h ARG 143 CO 0.47 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.66 1qbb n ASN 144 N -3.67 0.38 0.21 7.04 5.15 -1.26 -1.78 115.26 121.33 1qbb n ASN 144 Ca -0.01 0.65 0.06 0.00 -0.60 0.00 0.00 54.58 54.68 1qbb n ASN 144 Cb 0.20 -0.71 0.45 0.00 -0.53 0.00 0.00 39.78 39.19 1qbb n ASN 144 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1qbb h ASP 145 N 0.00 0.00 -3.45 1.20 3.32 -1.58 -3.42 116.42 112.48 1qbb h ASP 145 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1qbb h ASP 145 Cb 0.10 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.54 1qbb h ASP 145 CO 0.00 0.30 0.09 -0.36 -1.72 0.00 0.00 179.24 177.55 1qbb s PHE 146 N -4.00 3.34 0.04 4.55 0.08 -0.73 -4.52 117.98 116.74 1qbb s PHE 146 Ca -0.02 0.85 -0.12 0.00 0.12 0.00 0.00 56.93 57.76 1qbb s PHE 146 Cb 0.13 -2.78 -0.06 0.00 -0.57 0.00 0.00 43.02 39.74 1qbb s PHE 146 CO 0.67 -0.21 0.39 -0.51 -0.10 0.00 0.00 175.22 175.46 1qbb s LEU 147 N 2.05 4.40 0.92 -0.37 1.43 -1.26 -5.04 118.68 120.81 1qbb s LEU 147 Ca 0.27 0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 1qbb s LEU 147 Cb -0.16 -2.78 0.16 0.00 0.03 0.00 0.00 46.19 43.44 1qbb s LEU 147 CO 0.10 0.24 1.22 -2.16 0.23 0.00 0.00 176.35 175.98 1qbb s PRO 148 N -1.54 1.01 -0.88 1.29 0.04 -1.26 -4.74 135.00 128.91 1qbb s PRO 148 Ca 0.28 -0.07 -0.04 0.00 0.04 0.00 0.00 61.00 61.21 1qbb s PRO 148 Cb -0.15 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1qbb s PRO 148 CO 0.15 -2.22 0.77 0.54 0.04 0.00 0.00 177.00 176.28 1qbb n ARG 149 N -3.71 -2.59 -1.94 4.56 1.74 -0.27 -4.37 116.66 110.08 1qbb n ARG 149 Ca 0.11 0.71 -0.37 0.00 -0.77 0.00 0.00 57.85 57.52 1qbb n ARG 149 Cb 0.60 -5.09 0.03 0.00 -1.02 0.00 0.00 32.46 26.98 1qbb n ARG 149 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1qbb s TRP 150 N -3.31 2.43 0.05 -1.55 0.52 -1.26 -4.48 118.94 111.34 1qbb s TRP 150 Ca 0.30 1.45 -0.05 0.00 0.02 0.00 0.00 56.10 57.81 1qbb s TRP 150 Cb -0.04 -3.63 -0.01 0.00 -1.15 0.00 0.00 33.47 28.64 1qbb s TRP 150 CO 0.60 -2.43 0.09 1.52 0.02 0.00 0.00 176.95 176.76 1qbb s TYR 151 N -1.42 0.24 0.04 -1.98 -0.85 -0.37 -0.94 117.35 112.07 1qbb s TYR 151 Ca 0.71 -0.61 0.08 0.00 -0.52 0.00 0.00 57.07 56.73 1qbb s TYR 151 Cb -0.35 -0.17 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 1qbb s TYR 151 CO 0.41 -0.40 -0.20 0.00 -1.52 0.00 0.00 175.55 173.83 1qbb s ALA 152 N -3.08 2.50 0.15 9.51 0.00 0.07 -0.39 121.76 130.51 1qbb s ALA 152 Ca -0.01 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1qbb s ALA 152 Cb 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1qbb s ALA 152 CO -0.07 0.56 -0.08 0.95 0.00 0.00 0.00 175.76 177.12 1qbb s THR 153 N -0.89 1.09 -0.30 0.00 -4.23 -0.30 -2.26 115.64 108.75 1qbb s THR 153 Ca 0.14 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1qbb s THR 153 Cb -0.10 -1.89 0.15 0.00 1.34 0.00 0.00 72.50 72.00 1qbb s THR 153 CO 0.04 -0.71 0.93 -0.55 -0.54 0.00 0.00 174.62 173.79 1qbb s SER 154 N -3.17 -0.65 0.00 3.99 0.15 -1.26 -1.55 113.70 111.21 1qbb s SER 154 Ca 0.18 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1qbb s SER 154 Cb 0.03 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1qbb s SER 154 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1qbb n GLY 155 N 4.68 1.00 0.46 9.45 0.00 -1.26 -2.07 105.19 117.45 1qbb n GLY 155 Ca -0.12 0.43 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 1qbb n GLY 155 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qbb h ASP 156 N 0.00 -0.97 -1.32 1.61 1.82 -1.97 -3.48 116.42 112.10 1qbb h ASP 156 Ca 0.00 0.03 -0.40 0.00 -0.39 0.00 0.00 57.03 56.26 1qbb h ASP 156 Cb 0.00 0.25 0.12 0.00 0.68 0.00 0.00 39.33 40.38 1qbb h ASP 156 CO 0.00 -0.68 -0.76 0.00 -1.61 0.00 0.00 179.24 176.19 1qbb n ALA 157 N -2.61 -2.54 -2.31 -0.78 0.00 -0.88 -4.98 120.51 106.41 1qbb n ALA 157 Ca -0.15 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1qbb n ALA 157 Cb 0.46 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1qbb n ALA 157 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qbb s LYS 158 N -0.67 4.55 0.34 0.00 -0.14 -1.26 -4.69 119.74 117.86 1qbb s LYS 158 Ca 0.38 1.15 -0.29 0.00 -1.36 0.00 0.00 55.97 55.86 1qbb s LYS 158 Cb -0.34 -3.35 -0.11 0.00 -1.68 0.00 0.00 37.83 32.34 1qbb s LYS 158 CO 0.44 0.31 1.53 -2.14 -0.76 0.00 0.00 175.35 174.73 1qbb s PRO 159 N -0.20 4.12 -0.01 -1.68 0.02 -1.26 -4.92 135.00 131.07 1qbb s PRO 159 Ca 0.40 2.57 0.05 0.00 0.02 0.00 0.00 61.00 64.04 1qbb s PRO 159 Cb -0.21 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 1qbb s PRO 159 CO 0.25 -0.57 -0.16 0.15 -0.33 0.00 0.00 177.00 176.34 1qbb s LYS 160 N -1.42 1.26 0.62 5.54 1.02 -0.96 -4.96 119.74 120.83 1qbb s LYS 160 Ca 0.57 -0.58 -0.15 0.00 0.02 0.00 0.00 55.97 55.83 1qbb s LYS 160 Cb -0.47 -1.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1qbb s LYS 160 CO 0.57 0.33 1.07 -1.64 -0.92 0.00 0.00 175.35 174.76 1qbb s MET 161 N -0.43 3.14 -0.54 1.68 -1.94 -1.26 -0.76 119.30 119.20 1qbb s MET 161 Ca 0.06 1.22 -0.28 0.00 -1.71 0.00 0.00 55.69 54.98 1qbb s MET 161 Cb -0.06 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.78 1qbb s MET 161 CO -0.00 -0.95 1.43 -0.51 -0.01 0.00 0.00 175.02 174.97 1qbb s LEU 162 N -4.71 3.42 0.38 -0.03 1.02 -0.12 -4.64 118.68 114.00 1qbb s LEU 162 Ca 0.64 0.36 0.15 0.00 0.02 0.00 0.00 54.13 55.29 1qbb s LEU 162 Cb -0.17 -3.10 0.99 0.00 0.02 0.00 0.00 46.19 43.93 1qbb s LEU 162 CO 0.40 -1.69 1.82 0.00 0.02 0.00 0.00 176.35 176.90 1qbb h ALA 163 N 11.12 2.07 0.00 4.21 0.00 -1.72 -1.30 119.26 133.64 1qbb h ALA 163 Ca -0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qbb h ALA 163 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qbb h ALA 163 CO 1.17 -0.40 0.00 -2.95 0.00 0.00 0.00 179.25 177.06 1qbb h ASN 164 N 0.50 0.00 0.02 0.00 -1.07 -1.85 -2.26 115.58 110.93 1qbb h ASN 164 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.89 1qbb h ASN 164 Cb 1.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 1qbb h ASN 164 CO -0.25 0.00 -0.20 0.35 0.07 0.00 0.00 177.43 177.40 1qbb n THR 165 N -2.37 0.00 -2.44 6.14 -2.24 -0.49 -4.63 114.28 108.25 1qbb n THR 165 Ca 0.02 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 1qbb n THR 165 Cb 0.24 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1qbb n THR 165 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qbb n ASP 166 N 0.37 4.86 -3.49 3.42 2.03 -0.85 -1.12 116.55 121.78 1qbb n ASP 166 Ca 0.13 -2.99 -0.10 0.00 0.52 0.00 0.00 54.79 52.35 1qbb n ASP 166 Cb 0.47 -1.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.26 1qbb n ASP 166 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1qbb s THR 167 N 1.97 0.00 -1.61 5.18 -1.32 -1.26 -5.01 115.64 113.59 1qbb s THR 167 Ca 0.45 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.17 1qbb s THR 167 Cb 0.06 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.14 1qbb s THR 167 CO -0.00 0.00 1.34 -0.62 -2.21 0.00 0.00 174.62 173.13 1qbb n GLU 168 N -0.07 0.70 -3.00 7.08 -0.58 -1.26 -4.74 120.64 118.77 1qbb n GLU 168 Ca -0.12 -0.49 -0.44 0.00 -0.42 0.00 0.00 57.16 55.70 1qbb n GLU 168 Cb 0.62 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 1qbb n GLU 168 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1qbb s ASN 169 N -2.64 6.21 0.56 1.62 2.47 -1.26 -4.90 114.94 117.00 1qbb s ASN 169 Ca 0.19 -1.03 0.26 0.00 0.42 0.00 0.00 52.86 52.70 1qbb s ASN 169 Cb 0.18 -2.36 1.61 0.00 -1.45 0.00 0.00 41.25 39.24 1qbb s ASN 169 CO 0.60 -1.20 2.18 -0.07 -3.72 0.00 0.00 177.10 174.90 1qbb h LEU 170 N 10.53 0.00 -2.43 3.21 3.38 -1.94 -2.45 115.31 125.61 1qbb h LEU 170 Ca -0.28 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1qbb h LEU 170 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1qbb h LEU 170 CO 1.10 0.04 0.18 0.44 0.09 0.00 0.00 178.44 180.29 1qbb h ASP 171 N 0.00 0.00 0.92 -0.43 3.32 -1.91 0.49 116.42 118.81 1qbb h ASP 171 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1qbb h ASP 171 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1qbb h ASP 171 CO 0.01 0.00 -0.11 1.56 -1.72 0.00 0.00 179.24 178.97 1qbb h GLN 172 N 0.00 0.00 0.00 3.56 4.20 -1.77 -3.38 115.11 117.72 1qbb h GLN 172 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1qbb h GLN 172 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1qbb h GLN 172 CO -0.00 0.11 0.00 1.97 -0.67 0.00 0.00 178.83 180.24 1qbb n PHE 173 N -3.27 0.00 -4.67 2.96 -1.74 0.18 -4.94 117.46 105.97 1qbb n PHE 173 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 1qbb n PHE 173 Cb 0.35 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.20 1qbb n PHE 173 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1qbb s VAL 174 N 0.00 2.54 0.65 1.97 1.01 0.15 0.52 120.40 127.23 1qbb s VAL 174 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1qbb s VAL 174 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1qbb s VAL 174 CO 0.00 0.53 1.07 0.00 0.00 0.00 0.00 175.10 176.70 1qbb s ALA 175 N 0.70 2.62 0.38 5.51 0.00 0.48 -4.40 121.76 127.04 1qbb s ALA 175 Ca -0.08 0.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 1qbb s ALA 175 Cb -0.16 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1qbb s ALA 175 CO 0.02 -1.10 1.43 -1.25 0.00 0.00 0.00 175.76 174.86 1qbb s PRO 176 N -4.39 4.10 0.36 0.00 0.05 -1.26 -4.83 135.00 129.03 1qbb s PRO 176 Ca 0.63 2.46 -0.26 0.00 0.05 0.00 0.00 61.00 63.87 1qbb s PRO 176 Cb -0.17 -2.94 -0.09 0.00 0.05 0.00 0.00 34.50 31.35 1qbb s PRO 176 CO 0.44 -0.49 1.06 -0.06 0.05 0.00 0.00 177.00 178.00 1qbb s PHE 177 N -1.14 3.38 0.25 0.56 0.40 -1.26 -4.90 117.98 115.27 1qbb s PHE 177 Ca 0.53 1.67 0.04 0.00 -0.60 0.00 0.00 56.93 58.57 1qbb s PHE 177 Cb -0.44 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 39.86 1qbb s PHE 177 CO 0.59 -0.58 -0.01 0.95 0.70 0.00 0.00 175.22 176.88 1qbb s THR 178 N -1.49 1.17 0.00 0.64 -4.23 -1.26 -5.04 115.64 105.43 1qbb s THR 178 Ca 0.53 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1qbb s THR 178 Cb -0.25 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1qbb s THR 178 CO 0.32 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1qbb n GLY 179 N -0.48 3.15 1.94 3.99 0.00 -1.26 -2.27 105.19 110.26 1qbb n GLY 179 Ca -0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1qbb n GLY 179 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qbb n ASP 180 N 3.20 4.33 0.22 1.61 5.75 -1.26 -4.59 116.55 125.81 1qbb n ASP 180 Ca 0.00 -3.36 0.15 0.00 -0.01 0.00 0.00 54.79 51.58 1qbb n ASP 180 Cb 0.00 -0.75 0.72 0.00 -1.03 0.00 0.00 41.12 40.06 1qbb n ASP 180 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1qbb h GLN 181 N 2.08 0.00 0.00 0.11 4.20 -1.86 -1.46 115.11 118.17 1qbb h GLN 181 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1qbb h GLN 181 Cb 2.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.16 1qbb h GLN 181 CO 0.78 0.00 0.00 -2.67 -0.67 0.00 0.00 178.83 176.27 1qbb n TRP 182 N -2.65 0.55 -2.60 2.96 4.27 -1.26 -4.78 117.44 113.94 1qbb n TRP 182 Ca -0.00 0.18 -0.41 0.00 -3.89 0.00 0.00 57.50 53.37 1qbb n TRP 182 Cb 0.17 -0.79 -0.04 0.00 -1.36 0.00 0.00 31.31 29.30 1qbb n TRP 182 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1qbb s LYS 183 N -3.10 4.57 0.08 -2.67 1.02 -0.55 -4.89 119.74 114.19 1qbb s LYS 183 Ca 0.10 1.59 -0.14 0.00 0.02 0.00 0.00 55.97 57.54 1qbb s LYS 183 Cb 0.13 -3.36 -0.22 0.00 -0.52 0.00 0.00 37.83 33.86 1qbb s LYS 183 CO 0.50 -0.00 1.22 -0.09 -0.92 0.00 0.00 175.35 176.06 1qbb h ARG 184 N 6.05 0.73 -4.59 1.68 2.43 -1.88 -3.45 114.38 115.35 1qbb h ARG 184 Ca -0.42 -0.74 -0.24 0.00 -0.81 0.00 0.00 59.98 57.76 1qbb h ARG 184 Cb 1.21 0.20 -0.15 0.00 -0.42 0.00 0.00 29.97 30.81 1qbb h ARG 184 CO 0.75 1.32 -0.62 0.95 -1.51 0.00 0.00 179.97 180.85 1qbb s THR 185 N -3.42 0.07 0.06 0.20 -4.23 -1.26 -4.81 115.64 102.24 1qbb s THR 185 Ca -0.10 -1.99 0.33 0.00 -1.18 0.00 0.00 61.69 58.75 1qbb s THR 185 Cb 0.07 -2.44 0.39 0.00 1.34 0.00 0.00 72.50 71.86 1qbb s THR 185 CO 0.92 -0.08 1.96 0.07 -0.54 0.00 0.00 174.62 176.95 1qbb h LYS 186 N 2.64 0.00 -0.22 3.99 2.10 -1.99 -2.90 116.57 120.19 1qbb h LYS 186 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1qbb h LYS 186 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1qbb h LYS 186 CO 0.55 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.75 1qbb n ASP 187 N -3.09 1.98 -4.68 7.07 8.00 -1.26 -4.96 116.55 119.61 1qbb n ASP 187 Ca 0.01 -1.78 -0.50 0.00 0.71 0.00 0.00 54.79 53.23 1qbb n ASP 187 Cb 0.32 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1qbb n ASP 187 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qbb n ASP 188 N 0.53 3.04 -1.13 -2.24 -0.08 -1.10 -4.89 116.55 110.69 1qbb n ASP 188 Ca 0.16 1.02 0.09 0.00 -1.51 0.00 0.00 54.79 54.56 1qbb n ASP 188 Cb 0.37 -1.31 0.27 0.00 2.34 0.00 0.00 41.12 42.79 1qbb n ASP 188 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qbb n LYS 189 N 5.67 2.94 -1.10 -0.67 4.76 -0.50 -4.99 118.16 124.27 1qbb n LYS 189 Ca 0.23 -2.50 -0.31 0.00 -2.87 0.00 0.00 58.31 52.86 1qbb n LYS 189 Cb 0.25 -1.53 0.12 0.00 -1.84 0.00 0.00 35.03 32.03 1qbb n LYS 189 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1qbb s ASN 190 N -1.03 3.91 -0.21 4.39 0.01 -1.21 -4.67 114.94 116.13 1qbb s ASN 190 Ca 0.40 1.87 -0.04 0.00 -0.71 0.00 0.00 52.86 54.38 1qbb s ASN 190 Cb 0.22 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 1qbb s ASN 190 CO 0.25 -2.42 -0.03 -0.63 -1.51 0.00 0.00 177.10 172.76 1qbb s ILE 191 N -2.83 3.62 0.20 0.60 1.01 -1.26 -5.03 121.20 117.50 1qbb s ILE 191 Ca 0.63 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 1qbb s ILE 191 Cb -0.19 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.55 1qbb s ILE 191 CO 0.57 0.43 1.39 -0.22 0.00 0.00 0.00 174.94 177.10 1qbb s LEU 192 N 1.23 4.39 -0.33 2.97 2.96 -1.26 -4.62 118.68 124.02 1qbb s LEU 192 Ca 0.03 2.50 -0.12 0.00 -0.22 0.00 0.00 54.13 56.32 1qbb s LEU 192 Cb -0.14 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1qbb s LEU 192 CO -0.00 -0.63 0.22 -0.04 -1.32 0.00 0.00 176.35 174.58 1qbb s MET 193 N 0.09 3.50 0.38 1.98 -1.94 -0.09 -4.80 119.30 118.43 1qbb s MET 193 Ca 0.60 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 53.99 1qbb s MET 193 Cb -0.39 -3.76 -0.06 0.00 2.01 0.00 0.00 34.83 32.63 1qbb s MET 193 CO 0.38 -0.42 0.05 0.95 -0.01 0.00 0.00 175.02 175.96 1qbb s THR 194 N 1.71 1.34 0.22 2.05 -4.23 -1.26 -4.72 115.64 110.75 1qbb s THR 194 Ca 0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1qbb s THR 194 Cb -0.17 -2.72 0.16 0.00 1.34 0.00 0.00 72.50 71.11 1qbb s THR 194 CO 0.10 0.00 1.74 -0.65 -0.54 0.00 0.00 174.62 175.27 1qbb h PRO 195 N 1.87 0.39 -0.31 3.99 0.11 -1.81 0.24 132.00 136.49 1qbb h PRO 195 Ca -0.41 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 1qbb h PRO 195 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1qbb h PRO 195 CO 0.72 0.26 -0.32 0.00 -0.21 0.00 0.00 178.00 178.45 1qbb h ALA 196 N 1.45 0.86 0.00 -0.75 0.00 -1.88 -0.99 119.26 117.95 1qbb h ALA 196 Ca 0.33 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1qbb h ALA 196 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1qbb h ALA 196 CO -0.34 0.63 -0.88 0.66 0.00 0.00 0.00 179.25 179.33 1qbb h SER 197 N 0.57 0.00 0.15 0.00 4.64 -1.73 -3.27 113.55 113.91 1qbb h SER 197 Ca 0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 1qbb h SER 197 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1qbb h SER 197 CO 0.07 0.60 -0.43 -0.09 -0.87 0.00 0.00 176.83 176.11 1qbb h ARG 198 N 0.00 0.35 -0.93 4.77 2.43 -0.42 -2.45 114.38 118.13 1qbb h ARG 198 Ca -0.06 -0.18 0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1qbb h ARG 198 Cb 1.51 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.99 1qbb h ARG 198 CO 0.07 0.72 0.58 0.35 -1.51 0.00 0.00 179.97 180.18 1qbb h PHE 199 N 0.29 1.06 -0.28 2.20 3.04 -1.26 -1.62 116.94 120.37 1qbb h PHE 199 Ca 0.02 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.84 1qbb h PHE 199 Cb 0.88 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1qbb h PHE 199 CO 0.02 0.50 -0.49 0.28 -2.02 0.00 0.00 178.31 176.60 1qbb h VAL 200 N 1.01 1.29 0.00 1.41 2.07 -1.57 -2.07 116.25 118.38 1qbb h VAL 200 Ca 0.43 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1qbb h VAL 200 Cb 0.28 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1qbb h VAL 200 CO -0.21 0.54 -0.16 0.77 0.02 0.00 0.00 177.57 178.54 1qbb h SER 201 N 0.61 0.00 -0.17 0.57 4.64 -0.94 -2.82 113.55 115.44 1qbb h SER 201 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1qbb h SER 201 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1qbb h SER 201 CO 0.11 0.16 0.00 0.59 -0.87 0.00 0.00 176.83 176.81 1qbb n ASN 202 N -3.35 3.19 0.26 4.97 3.02 -0.66 -4.65 115.26 118.03 1qbb n ASN 202 Ca -0.00 -2.00 0.17 0.00 -0.03 0.00 0.00 54.58 52.72 1qbb n ASN 202 Cb 0.37 -0.10 0.73 0.00 -0.61 0.00 0.00 39.78 40.18 1qbb n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qbb h ALA 203 N 4.63 1.00 -0.00 5.41 0.00 -1.10 -2.29 119.26 126.91 1qbb h ALA 203 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qbb h ALA 203 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qbb h ALA 203 CO 0.00 0.00 -0.06 -0.40 0.00 0.00 0.00 179.25 178.79 1qbb n ASP 204 N -2.89 0.16 -4.88 0.00 5.68 -1.26 -4.81 116.55 108.54 1qbb n ASP 204 Ca 0.00 -0.14 -0.32 0.00 -0.50 0.00 0.00 54.79 53.84 1qbb n ASP 204 Cb 0.24 -0.24 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1qbb n ASP 204 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1qbb s LEU 205 N -2.66 4.18 0.09 -2.12 1.43 -0.86 -5.03 118.68 113.72 1qbb s LEU 205 Ca 0.25 0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 54.02 1qbb s LEU 205 Cb 0.20 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.85 1qbb s LEU 205 CO 0.49 -0.05 0.39 0.00 0.23 0.00 0.00 176.35 177.41 1qbb s GLN 206 N -2.82 1.00 -0.27 1.70 -2.07 -1.26 -5.05 119.66 110.89 1qbb s GLN 206 Ca 0.46 -0.61 -0.28 0.00 -1.82 0.00 0.00 55.36 53.12 1qbb s GLN 206 Cb -0.11 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 1qbb s GLN 206 CO 0.22 -0.37 0.98 0.99 -1.32 0.00 0.00 175.29 175.80 1qbb s THR 207 N -3.35 4.67 0.40 3.63 2.01 -1.26 -4.86 115.64 116.88 1qbb s THR 207 Ca 0.00 1.76 -0.21 0.00 0.31 0.00 0.00 61.69 63.56 1qbb s THR 207 Cb 0.01 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 68.13 1qbb s THR 207 CO -0.09 -0.26 0.92 -0.76 -0.69 0.00 0.00 174.62 173.74 1qbb s LEU 208 N 3.25 4.00 0.48 4.42 1.43 -1.26 -5.04 118.68 125.96 1qbb s LEU 208 Ca 0.41 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 54.93 1qbb s LEU 208 Cb -0.14 -4.41 -0.07 0.00 0.03 0.00 0.00 46.19 41.60 1qbb s LEU 208 CO 0.10 -0.30 1.23 -2.16 0.23 0.00 0.00 176.35 175.44 1qbb s PRO 209 N -3.03 3.59 0.59 1.29 0.04 -1.26 -4.91 135.00 131.31 1qbb s PRO 209 Ca 0.60 1.93 0.29 0.00 0.04 0.00 0.00 61.00 63.85 1qbb s PRO 209 Cb -0.10 -2.38 1.51 0.00 0.04 0.00 0.00 34.50 33.57 1qbb s PRO 209 CO 0.15 -0.74 1.95 0.00 0.04 0.00 0.00 177.00 178.40 1qbb h ALA 210 N 1.91 2.12 -0.07 8.56 0.00 -2.00 -0.93 119.26 128.85 1qbb h ALA 210 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1qbb h ALA 210 Cb 1.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1qbb h ALA 210 CO 0.59 -0.62 -0.24 0.78 0.00 0.00 0.00 179.25 179.76 1qbb h GLY 211 N 0.00 0.12 1.96 0.00 0.00 -1.99 -2.14 103.07 101.03 1qbb h GLY 211 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1qbb h GLY 211 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1qbb n ALA 212 N -2.49 2.04 0.02 3.60 0.00 -0.35 -2.96 120.51 120.37 1qbb n ALA 212 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1qbb n ALA 212 Cb 0.33 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 18.57 1qbb n ALA 212 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qbb n LEU 213 N -1.48 2.88 -4.72 0.00 4.77 -0.81 -4.97 117.00 112.67 1qbb n LEU 213 Ca 0.06 -1.70 -0.42 0.00 -0.03 0.00 0.00 56.01 53.93 1qbb n LEU 213 Cb 0.26 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1qbb n LEU 213 CO 0.21 0.68 0.88 -0.60 -1.33 0.00 0.00 177.39 177.22 1qbb s ARG 214 N -1.06 4.46 -1.02 3.23 3.52 -1.16 -2.91 118.95 124.02 1qbb s ARG 214 Ca 0.26 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1qbb s ARG 214 Cb 0.14 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1qbb s ARG 214 CO 0.19 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 1qbb n GLY 215 N 2.82 1.10 3.32 8.12 0.00 -1.26 -4.98 105.19 114.31 1qbb n GLY 215 Ca 0.07 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 1qbb n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbb s LYS 216 N -2.85 2.90 0.53 1.61 -0.14 -1.15 -4.96 119.74 115.67 1qbb s LYS 216 Ca 0.00 -1.60 -0.06 0.00 -1.36 0.00 0.00 55.97 52.95 1qbb s LYS 216 Cb 0.00 -4.17 -0.02 0.00 -1.68 0.00 0.00 37.83 31.95 1qbb s LYS 216 CO 0.00 -1.20 0.84 0.42 -0.76 0.00 0.00 175.35 174.65 1qbb s ILE 217 N 1.57 4.52 -0.29 2.17 1.01 -1.26 -4.68 121.20 124.25 1qbb s ILE 217 Ca 0.04 0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 1qbb s ILE 217 Cb -0.27 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.58 1qbb s ILE 217 CO 0.03 -0.76 0.98 -0.69 0.00 0.00 0.00 174.94 174.50 1qbb s VAL 218 N -2.86 0.00 0.90 2.92 1.01 -1.26 -3.11 120.40 118.01 1qbb s VAL 218 Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1qbb s VAL 218 Cb -0.10 -1.00 0.14 0.00 0.00 0.00 0.00 36.38 35.42 1qbb s VAL 218 CO 0.46 0.00 1.16 -2.84 0.00 0.00 0.00 175.10 173.87 1qbb s PRO 219 N 0.94 1.06 0.12 2.72 0.02 -1.26 -4.90 135.00 133.70 1qbb s PRO 219 Ca -0.04 1.59 -0.33 0.00 0.02 0.00 0.00 61.00 62.23 1qbb s PRO 219 Cb -0.04 -1.73 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 1qbb s PRO 219 CO -0.12 -2.61 1.70 2.41 -0.33 0.00 0.00 177.00 178.05 1qbb n THR 220 N -4.14 0.16 -2.30 0.99 -1.04 -1.18 -4.95 114.28 101.82 1qbb n THR 220 Ca 0.12 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.76 1qbb n THR 220 Cb 0.52 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.25 1qbb n THR 220 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1qbb s PRO 221 N 1.80 3.47 0.37 -2.82 0.02 -1.26 -4.58 135.00 132.00 1qbb s PRO 221 Ca 0.81 1.46 0.06 0.00 0.02 0.00 0.00 61.00 63.35 1qbb s PRO 221 Cb -0.62 -2.04 0.77 0.00 0.02 0.00 0.00 34.50 32.64 1qbb s PRO 221 CO 0.39 -0.72 1.97 1.98 -0.33 0.00 0.00 177.00 180.29 1qbb h MET 222 N 1.16 0.70 -2.30 5.54 4.05 -1.85 -3.43 114.93 118.80 1qbb h MET 222 Ca -0.49 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 58.84 1qbb h MET 222 Cb 1.24 -0.16 -0.24 0.00 -0.80 0.00 0.00 31.60 31.65 1qbb h MET 222 CO 0.58 0.46 -0.13 -1.14 0.23 0.00 0.00 176.91 176.90 1qbb s GLN 223 N -5.64 0.56 -0.10 0.39 2.00 -0.78 -5.01 119.66 111.07 1qbb s GLN 223 Ca -0.09 1.03 -0.09 0.00 -2.00 0.00 0.00 55.36 54.21 1qbb s GLN 223 Cb 0.19 0.09 0.03 0.00 0.80 0.00 0.00 33.01 34.11 1qbb s GLN 223 CO 0.77 -0.16 0.27 0.54 -0.50 0.00 0.00 175.29 176.21 1qbb s VAL 224 N 1.58 -0.00 -0.21 1.34 0.11 -1.26 -0.50 120.40 121.46 1qbb s VAL 224 Ca -0.10 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1qbb s VAL 224 Cb -0.07 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1qbb s VAL 224 CO -0.17 0.00 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.79 1qbb s LYS 225 N 0.20 1.65 -0.13 1.54 2.20 0.75 -5.00 119.74 120.95 1qbb s LYS 225 Ca -0.00 -0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 54.62 1qbb s LYS 225 Cb -0.02 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 1qbb s LYS 225 CO -0.00 -0.52 0.39 0.08 -0.36 0.00 0.00 175.35 174.94 1qbb s VAL 226 N 1.47 5.23 0.36 4.02 1.01 -1.26 -1.34 120.40 129.88 1qbb s VAL 226 Ca -0.03 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1qbb s VAL 226 Cb -0.17 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 1qbb s VAL 226 CO -0.07 0.37 0.49 -1.00 0.00 0.00 0.00 175.10 174.90 1qbb s HIS 227 N 0.42 3.00 -0.37 5.22 0.09 -0.73 -4.99 115.29 117.93 1qbb s HIS 227 Ca 0.22 -0.28 0.25 0.00 -0.00 0.00 0.00 55.06 55.24 1qbb s HIS 227 Cb -0.14 -2.11 0.60 0.00 -0.00 0.00 0.00 32.58 30.92 1qbb s HIS 227 CO 0.08 -0.13 1.70 0.00 -0.00 0.00 0.00 174.74 176.38 1qbb h ALA 228 N 0.83 1.00 -2.32 -1.40 0.00 -1.99 -3.39 119.26 111.99 1qbb h ALA 228 Ca -0.44 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.98 1qbb h ALA 228 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1qbb h ALA 228 CO 0.51 0.00 0.10 -0.65 0.00 0.00 0.00 179.25 179.21 1qbb s GLN 229 N -3.28 3.88 -0.04 0.00 -1.52 -1.26 -4.96 119.66 112.48 1qbb s GLN 229 Ca 0.06 0.56 0.02 0.00 -1.95 0.00 0.00 55.36 54.05 1qbb s GLN 229 Cb 0.07 -2.41 -0.03 0.00 -0.22 0.00 0.00 33.01 30.41 1qbb s GLN 229 CO 0.63 0.06 -0.06 -0.51 -0.25 0.00 0.00 175.29 175.16 1qbb s ASP 230 N -2.73 4.68 0.23 5.90 1.01 -1.26 -0.64 116.67 123.87 1qbb s ASP 230 Ca 0.53 -0.05 -0.14 0.00 0.71 0.00 0.00 52.55 53.59 1qbb s ASP 230 Cb -0.10 -1.16 -0.08 0.00 1.01 0.00 0.00 42.92 42.59 1qbb s ASP 230 CO 0.25 0.33 0.63 0.00 0.21 0.00 0.00 175.17 176.59 1qbb s ALA 231 N -0.88 3.48 -0.32 5.23 0.00 0.11 -4.84 121.76 124.54 1qbb s ALA 231 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 1qbb s ALA 231 Cb -0.11 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1qbb s ALA 231 CO 0.04 0.42 0.11 0.34 0.00 0.00 0.00 175.76 176.67 1qbb s ASP 232 N -2.06 5.30 0.00 0.00 2.15 -1.26 -2.66 116.67 118.13 1qbb s ASP 232 Ca 0.46 -0.82 0.18 0.00 0.43 0.00 0.00 52.55 52.80 1qbb s ASP 232 Cb -0.13 -1.91 0.35 0.00 -0.30 0.00 0.00 42.92 40.93 1qbb s ASP 232 CO 0.20 -0.25 1.27 0.18 -0.17 0.00 0.00 175.17 176.40 1qbb n LEU 233 N 4.89 3.10 0.05 -1.34 4.77 -0.08 -4.69 117.00 123.70 1qbb n LEU 233 Ca -0.14 -1.57 0.04 0.00 -0.03 0.00 0.00 56.01 54.31 1qbb n LEU 233 Cb 0.47 -0.22 0.44 0.00 -2.33 0.00 0.00 43.42 41.78 1qbb n LEU 233 CO 0.32 0.69 1.08 -0.09 -1.33 0.00 0.00 177.39 178.07 1qbb h ARG 234 N 3.45 0.42 -0.01 3.23 2.43 -1.89 -0.49 114.38 121.52 1qbb h ARG 234 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qbb h ARG 234 Cb 0.83 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1qbb h ARG 234 CO 0.00 0.33 -0.16 1.63 -1.51 0.00 0.00 179.97 180.26 1qbb n LYS 235 N -4.43 1.18 0.00 0.20 5.02 -1.26 -4.86 118.16 114.00 1qbb n LYS 235 Ca 0.01 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 1qbb n LYS 235 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1qbb n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qbb n GLY 236 N 1.28 0.95 3.28 0.72 0.00 -0.19 -4.65 105.19 106.57 1qbb n GLY 236 Ca 0.15 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 1qbb n GLY 236 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qbb s VAL 237 N -1.13 1.71 -0.28 1.61 -7.23 -0.96 -1.25 120.40 112.87 1qbb s VAL 237 Ca 0.00 -1.45 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1qbb s VAL 237 Cb 0.00 -1.53 0.05 0.00 0.56 0.00 0.00 36.38 35.46 1qbb s VAL 237 CO 0.00 0.02 -0.04 0.00 -0.31 0.00 0.00 175.10 174.77 1qbb s ALA 238 N -1.05 2.73 -0.17 1.32 0.00 0.12 -2.06 121.76 122.64 1qbb s ALA 238 Ca 0.07 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.15 1qbb s ALA 238 Cb -0.10 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 1qbb s ALA 238 CO 0.04 -1.21 0.30 -0.51 0.00 0.00 0.00 175.76 174.37 1qbb s LEU 239 N 1.21 4.22 -0.76 0.00 1.43 -1.26 -1.14 118.68 122.38 1qbb s LEU 239 Ca -0.06 0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1qbb s LEU 239 Cb -0.20 -2.37 0.20 0.00 0.03 0.00 0.00 46.19 43.85 1qbb s LEU 239 CO -0.03 0.07 0.69 -0.62 0.23 0.00 0.00 176.35 176.70 1qbb s ASP 240 N 0.60 6.53 -0.33 2.29 2.15 -0.60 -4.88 116.67 122.43 1qbb s ASP 240 Ca 0.16 -2.54 0.09 0.00 0.43 0.00 0.00 52.55 50.69 1qbb s ASP 240 Cb -0.13 -2.18 0.63 0.00 -0.30 0.00 0.00 42.92 40.94 1qbb s ASP 240 CO 0.04 -0.61 1.69 0.18 -0.17 0.00 0.00 175.17 176.30 1qbb n LEU 241 N 4.17 5.40 0.28 -1.34 4.77 -1.26 -3.66 117.00 125.35 1qbb n LEU 241 Ca 0.08 -3.46 0.11 0.00 -0.03 0.00 0.00 56.01 52.71 1qbb n LEU 241 Cb 0.45 -0.71 0.75 0.00 -2.33 0.00 0.00 43.42 41.58 1qbb n LEU 241 CO 0.37 0.99 1.09 0.28 -1.33 0.00 0.00 177.39 178.79 1qbb h SER 242 N 1.62 0.00 1.44 -1.43 0.02 -1.92 -1.86 113.55 111.42 1qbb h SER 242 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1qbb h SER 242 Cb 2.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.71 1qbb h SER 242 CO 0.67 0.00 0.00 0.71 -1.14 0.00 0.00 176.83 177.07 1qbb h THR 243 N 0.00 0.00 -3.03 -2.27 1.35 -1.87 -3.46 112.91 103.63 1qbb h THR 243 Ca -0.00 -0.65 -0.67 0.00 -0.55 0.00 0.00 66.41 64.54 1qbb h THR 243 Cb 0.00 1.61 -0.11 0.00 -1.73 0.00 0.00 68.15 67.92 1qbb h THR 243 CO 0.00 0.00 -0.56 -0.76 -0.25 0.00 0.00 175.52 173.95 1qbb s LEU 244 N -5.62 3.94 0.61 3.87 1.43 -0.70 -4.85 118.68 117.36 1qbb s LEU 244 Ca 0.06 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 1qbb s LEU 244 Cb 0.08 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1qbb s LEU 244 CO 0.58 0.36 1.22 0.68 0.23 0.00 0.00 176.35 179.43 1qbb s VAL 245 N -1.01 2.53 0.19 -1.59 -7.23 -1.26 -4.67 120.40 107.36 1qbb s VAL 245 Ca 0.16 0.32 -0.19 0.00 -1.81 0.00 0.00 61.98 60.47 1qbb s VAL 245 Cb -0.12 -3.11 0.15 0.00 0.56 0.00 0.00 36.38 33.87 1qbb s VAL 245 CO 0.06 -0.08 1.60 0.50 -0.31 0.00 0.00 175.10 176.87 1qbb h LYS 246 N 0.76 -0.12 -0.83 4.82 3.64 -1.99 -1.34 116.57 121.51 1qbb h LYS 246 Ca -0.50 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1qbb h LYS 246 Cb 1.30 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 1qbb h LYS 246 CO 0.54 -0.08 0.54 -1.35 -2.27 0.00 0.00 179.45 176.84 1qbb h PRO 247 N -0.13 0.79 -0.26 1.90 0.11 -1.95 0.13 132.00 132.60 1qbb h PRO 247 Ca 0.25 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 1qbb h PRO 247 Cb 0.53 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1qbb h PRO 247 CO -0.65 0.52 -0.45 0.00 -0.21 0.00 0.00 178.00 177.21 1qbb h ALA 248 N 1.58 0.41 -0.42 -0.75 0.00 -1.44 -2.65 119.26 115.99 1qbb h ALA 248 Ca 0.38 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1qbb h ALA 248 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1qbb h ALA 248 CO -0.15 0.55 -0.21 0.00 0.00 0.00 0.00 179.25 179.44 1qbb h ALA 249 N 0.66 0.85 -0.85 0.00 0.00 -0.82 -2.76 119.26 116.34 1qbb h ALA 249 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1qbb h ALA 249 Cb 1.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1qbb h ALA 249 CO 0.10 0.64 0.46 -0.44 0.00 0.00 0.00 179.25 180.01 1qbb h ASP 250 N 0.72 1.06 -0.43 0.00 3.32 -0.96 -1.69 116.42 118.44 1qbb h ASP 250 Ca 0.10 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1qbb h ASP 250 Cb 0.73 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1qbb h ASP 250 CO 0.06 0.85 0.21 0.58 -1.72 0.00 0.00 179.24 179.22 1qbb h VAL 251 N 1.19 0.96 -0.25 -1.35 2.07 -1.20 -1.70 116.25 115.97 1qbb h VAL 251 Ca 0.30 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1qbb h VAL 251 Cb 0.03 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1qbb h VAL 251 CO -0.05 0.08 0.14 0.58 0.02 0.00 0.00 177.57 178.34 1qbb h VAL 252 N 0.42 1.12 -0.82 2.57 2.07 -1.21 -1.88 116.25 118.52 1qbb h VAL 252 Ca 0.19 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1qbb h VAL 252 Cb 0.11 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1qbb h VAL 252 CO -0.14 0.12 0.38 0.28 0.02 0.00 0.00 177.57 178.23 1qbb h SER 253 N 0.29 1.08 -0.53 0.57 0.02 -1.20 -1.39 113.55 112.39 1qbb h SER 253 Ca 0.09 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1qbb h SER 253 Cb 0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1qbb h SER 253 CO -0.01 0.92 0.06 1.56 -1.14 0.00 0.00 176.83 178.21 1qbb h GLN 254 N 1.16 0.90 -0.49 3.45 4.20 -1.22 -2.66 115.11 120.46 1qbb h GLN 254 Ca 0.28 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1qbb h GLN 254 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1qbb h GLN 254 CO -0.03 0.89 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.77 1qbb h ARG 255 N 0.78 0.96 -0.39 1.46 2.43 -0.70 0.12 114.38 119.04 1qbb h ARG 255 Ca 0.16 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1qbb h ARG 255 Cb 0.44 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1qbb h ARG 255 CO 0.02 1.06 0.21 0.74 -1.51 0.00 0.00 179.97 180.48 1qbb h PHE 256 N 0.82 0.39 -0.85 2.20 0.04 -1.26 -2.23 116.94 116.05 1qbb h PHE 256 Ca 0.12 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1qbb h PHE 256 Cb 0.72 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 1qbb h PHE 256 CO 0.05 0.22 0.47 0.00 -0.60 0.00 0.00 178.31 178.45 1qbb h ALA 257 N 1.19 1.09 -0.83 2.45 0.00 -1.14 -2.06 119.26 119.95 1qbb h ALA 257 Ca 0.16 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1qbb h ALA 257 Cb 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 1qbb h ALA 257 CO -0.10 0.59 0.50 1.25 0.00 0.00 0.00 179.25 181.49 1qbb h LEU 258 N 1.18 0.75 -0.70 0.00 5.85 -0.22 -2.55 115.31 119.63 1qbb h LEU 258 Ca 0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1qbb h LEU 258 Cb 0.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1qbb h LEU 258 CO -0.05 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.69 1qbb n LEU 259 N -4.68 1.02 0.00 2.25 4.77 -0.89 -4.91 117.00 114.55 1qbb n LEU 259 Ca 0.13 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1qbb n LEU 259 Cb 0.22 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1qbb n LEU 259 CO 0.29 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1qbb n GLY 260 N 0.85 0.67 3.31 -0.72 0.00 -0.96 -4.97 105.19 103.36 1qbb n GLY 260 Ca 0.09 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 1qbb n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbb s VAL 261 N -2.00 4.96 0.67 1.61 1.01 -0.82 -5.00 120.40 120.83 1qbb s VAL 261 Ca 0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.37 1qbb s VAL 261 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1qbb s VAL 261 CO 0.00 -0.76 1.22 -2.16 0.00 0.00 0.00 175.10 173.40 1qbb s PRO 262 N 1.55 2.49 -0.30 2.72 0.04 -1.26 -3.49 135.00 136.75 1qbb s PRO 262 Ca 0.04 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1qbb s PRO 262 Cb -0.27 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1qbb s PRO 262 CO 0.03 -1.58 0.15 0.08 0.04 0.00 0.00 177.00 175.73 1qbb s VAL 263 N -1.78 4.70 -0.10 -0.36 1.01 -1.26 -2.28 120.40 120.34 1qbb s VAL 263 Ca 0.76 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 1qbb s VAL 263 Cb -0.31 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1qbb s VAL 263 CO 0.40 0.12 0.47 0.00 0.00 0.00 0.00 175.10 176.10 1qbb s GLN 264 N 1.64 0.72 0.59 2.72 1.03 -0.87 -4.96 119.66 120.52 1qbb s GLN 264 Ca 0.05 0.29 0.29 0.00 0.04 0.00 0.00 55.36 56.04 1qbb s GLN 264 Cb -0.17 0.34 1.81 0.00 0.03 0.00 0.00 33.01 35.01 1qbb s GLN 264 CO 0.07 -0.17 2.25 1.79 -2.54 0.00 0.00 175.29 176.69 1qbb h THR 265 N 3.88 0.54 -0.01 3.63 1.35 -1.97 -2.76 112.91 117.58 1qbb h THR 265 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1qbb h THR 265 Cb 1.17 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1qbb h THR 265 CO 0.31 0.00 -0.03 -3.20 -0.25 0.00 0.00 175.52 172.35 1qbb n ASN 266 N -3.87 1.13 -3.74 5.36 4.05 -1.26 -4.81 115.26 112.12 1qbb n ASN 266 Ca -0.03 -1.31 -0.25 0.00 0.45 0.00 0.00 54.58 53.43 1qbb n ASN 266 Cb 0.09 0.01 0.17 0.00 1.23 0.00 0.00 39.78 41.28 1qbb n ASN 266 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qbb n GLY 267 N 1.16 -1.26 3.65 8.20 0.00 -1.04 -4.97 105.19 110.93 1qbb n GLY 267 Ca 0.19 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 1qbb n GLY 267 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qbb n TYR 268 N -3.54 2.38 -2.34 1.61 4.19 -0.38 -4.09 117.16 115.00 1qbb n TYR 268 Ca 0.15 -0.27 -0.42 0.00 3.31 0.00 0.00 57.90 60.67 1qbb n TYR 268 Cb 0.51 -2.77 -0.03 0.00 0.49 0.00 0.00 39.34 37.55 1qbb n TYR 268 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 1qbb s PRO 269 N 4.73 4.35 -0.22 2.98 0.02 -1.26 0.11 135.00 145.71 1qbb s PRO 269 Ca 0.92 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.79 1qbb s PRO 269 Cb -0.47 -3.46 0.04 0.00 0.02 0.00 0.00 34.50 30.62 1qbb s PRO 269 CO 0.43 -0.43 -0.13 0.42 -0.33 0.00 0.00 177.00 176.96 1qbb s ILE 270 N 1.80 1.96 0.02 2.83 1.01 -0.29 0.90 121.20 129.43 1qbb s ILE 270 Ca 0.60 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1qbb s ILE 270 Cb -0.29 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1qbb s ILE 270 CO 0.26 0.19 0.09 -0.54 0.00 0.00 0.00 174.94 174.95 1qbb s LYS 271 N 1.25 3.07 0.07 2.79 1.02 0.96 -1.56 119.74 127.35 1qbb s LYS 271 Ca -0.03 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.50 1qbb s LYS 271 Cb -0.17 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1qbb s LYS 271 CO -0.08 0.63 -0.13 0.95 -0.92 0.00 0.00 175.35 175.80 1qbb s THR 272 N -1.26 1.04 -0.05 2.17 -4.23 -1.24 0.67 115.64 112.73 1qbb s THR 272 Ca 0.25 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.18 1qbb s THR 272 Cb -0.12 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.73 1qbb s THR 272 CO 0.17 -0.27 0.60 -0.62 -0.54 0.00 0.00 174.62 173.96 1qbb s ASP 273 N -1.79 -0.56 -0.22 3.99 2.15 -0.52 -4.81 116.67 114.91 1qbb s ASP 273 Ca -0.02 0.61 -0.06 0.00 0.43 0.00 0.00 52.55 53.51 1qbb s ASP 273 Cb -0.09 0.52 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 1qbb s ASP 273 CO 0.02 -0.56 0.02 -0.63 -0.17 0.00 0.00 175.17 173.84 1qbb s ILE 274 N -1.16 3.96 -0.42 4.11 1.01 -1.26 -0.46 121.20 126.97 1qbb s ILE 274 Ca -0.11 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1qbb s ILE 274 Cb -0.01 -2.81 0.17 0.00 0.01 0.00 0.00 42.46 39.82 1qbb s ILE 274 CO 0.08 0.40 0.40 0.00 0.00 0.00 0.00 174.94 175.82 1qbb n GLN 275 N 4.59 0.24 -0.28 2.79 1.13 -0.49 -4.95 117.38 120.41 1qbb n GLN 275 Ca -0.17 -3.01 0.13 0.00 -1.94 0.00 0.00 57.00 52.00 1qbb n GLN 275 Cb 0.51 -1.64 0.38 0.00 0.11 0.00 0.00 30.24 29.61 1qbb n GLN 275 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1qbb h PRO 276 N 5.52 0.66 0.00 -1.09 0.11 -1.75 -2.86 132.00 132.59 1qbb h PRO 276 Ca 0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1qbb h PRO 276 Cb 0.94 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1qbb h PRO 276 CO 0.32 0.44 0.00 0.78 -0.21 0.00 0.00 178.00 179.33 1qbb h GLY 277 N 0.68 0.00 1.13 -0.55 0.00 -1.94 -2.87 103.07 99.52 1qbb h GLY 277 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1qbb h GLY 277 CO -0.23 0.00 -0.08 0.28 0.00 0.00 0.00 176.54 176.51 1qbb n LYS 278 N -2.31 0.59 -4.69 4.80 5.02 -1.08 -4.80 118.16 115.69 1qbb n LYS 278 Ca -0.00 -0.15 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 1qbb n LYS 278 Cb 0.12 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1qbb n LYS 278 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1qbb s PHE 279 N -2.51 2.86 0.12 2.13 0.40 -1.09 -5.09 117.98 114.81 1qbb s PHE 279 Ca 0.29 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1qbb s PHE 279 Cb 0.20 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 1qbb s PHE 279 CO 0.47 -0.03 -0.13 0.15 0.70 0.00 0.00 175.22 176.38 1qbb s LYS 280 N 0.00 1.02 6.75 0.44 3.01 -1.26 -4.65 119.74 125.05 1qbb s LYS 280 Ca -0.02 -1.26 0.00 0.00 -1.01 0.00 0.00 55.97 53.68 1qbb s LYS 280 Cb -0.14 -0.86 0.00 0.00 -1.01 0.00 0.00 37.83 35.83 1qbb s LYS 280 CO 0.04 0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.46 1qbb n GLY 281 N 0.44 2.45 0.28 -3.33 0.00 -1.26 -2.55 105.19 101.22 1qbb n GLY 281 Ca -0.15 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1qbb n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbb n ALA 282 N 11.02 3.21 1.04 4.61 0.00 -1.26 -3.23 120.51 135.90 1qbb n ALA 282 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.11 1qbb n ALA 282 Cb 0.00 -1.06 0.25 0.00 0.00 0.00 0.00 19.45 18.63 1qbb n ALA 282 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qbb n MET 283 N -0.57 0.16 -2.56 0.00 2.00 -1.06 -4.47 117.12 110.62 1qbb n MET 283 Ca 0.11 -0.09 -0.43 0.00 0.00 0.00 0.00 57.70 57.29 1qbb n MET 283 Cb 0.37 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.10 1qbb n MET 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qbb n ALA 284 N -1.34 5.20 -2.44 3.04 0.00 -1.20 -4.70 120.51 119.08 1qbb n ALA 284 Ca 0.07 -4.44 -0.08 0.00 0.00 0.00 0.00 53.44 48.99 1qbb n ALA 284 Cb 0.34 -2.82 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 1qbb n ALA 284 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qbb s VAL 285 N -0.34 0.17 0.20 0.00 -7.23 -1.26 -4.93 120.40 107.02 1qbb s VAL 285 Ca 0.38 -1.42 -0.33 0.00 -1.81 0.00 0.00 61.98 58.80 1qbb s VAL 285 Cb 0.07 -1.16 -0.13 0.00 0.56 0.00 0.00 36.38 35.72 1qbb s VAL 285 CO 0.03 -0.78 1.58 -0.24 -0.31 0.00 0.00 175.10 175.38 1qbb n SER 286 N 0.47 3.33 0.00 4.85 2.88 -1.26 -1.97 113.62 121.92 1qbb n SER 286 Ca -0.17 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1qbb n SER 286 Cb 0.60 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1qbb n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qbb n GLY 287 N 3.16 0.44 3.77 0.46 0.00 -1.26 -4.75 105.19 107.02 1qbb n GLY 287 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1qbb n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbb s ALA 288 N -2.15 2.84 0.17 4.61 0.00 -0.83 -4.17 121.76 122.22 1qbb s ALA 288 Ca 0.00 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 1qbb s ALA 288 Cb 0.00 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1qbb s ALA 288 CO 0.00 -0.68 0.59 1.52 0.00 0.00 0.00 175.76 177.19 1qbb s TYR 289 N -1.67 -0.46 -0.07 0.00 1.13 -0.78 -1.16 117.35 114.33 1qbb s TYR 289 Ca 0.68 0.22 0.05 0.00 -1.41 0.00 0.00 57.07 56.60 1qbb s TYR 289 Cb -0.26 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.13 1qbb s TYR 289 CO 0.30 -0.87 -0.22 -1.21 -2.51 0.00 0.00 175.55 171.04 1qbb s GLU 290 N -3.77 2.70 -0.04 -3.49 2.02 0.54 -0.88 118.70 115.78 1qbb s GLU 290 Ca 0.02 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.20 1qbb s GLU 290 Cb -0.01 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1qbb s GLU 290 CO -0.11 0.38 -0.12 -1.17 0.02 0.00 0.00 175.26 174.26 1qbb s LEU 291 N -0.14 1.76 -0.17 1.80 2.96 0.07 -1.26 118.68 123.71 1qbb s LEU 291 Ca -0.04 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1qbb s LEU 291 Cb -0.14 -0.72 0.05 0.00 0.50 0.00 0.00 46.19 45.88 1qbb s LEU 291 CO 0.04 0.07 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.39 1qbb s LYS 292 N 0.30 0.97 -0.29 1.98 2.20 -0.68 0.14 119.74 124.35 1qbb s LYS 292 Ca -0.06 -0.41 -0.09 0.00 -0.36 0.00 0.00 55.97 55.04 1qbb s LYS 292 Cb -0.11 -1.93 -0.01 0.00 -1.51 0.00 0.00 37.83 34.26 1qbb s LYS 292 CO 0.02 -0.52 0.13 0.42 -0.36 0.00 0.00 175.35 175.04 1qbb s ILE 293 N 1.77 4.50 0.49 5.43 1.01 0.13 -1.55 121.20 132.98 1qbb s ILE 293 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1qbb s ILE 293 Cb -0.16 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1qbb s ILE 293 CO -0.07 0.15 0.29 -0.83 0.00 0.00 0.00 174.94 174.47 1qbb s GLY 294 N 1.61 2.43 0.29 6.18 0.00 -0.18 -1.83 107.32 115.82 1qbb s GLY 294 Ca 0.05 -1.43 0.12 0.00 0.00 0.00 0.00 44.72 43.46 1qbb s GLY 294 CO 0.05 -1.94 1.63 1.70 0.00 0.00 0.00 173.10 174.54 1qbb h LYS 295 N 1.04 0.00 0.00 2.90 1.63 -1.94 -3.31 116.57 116.88 1qbb h LYS 295 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1qbb h LYS 295 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1qbb h LYS 295 CO 0.63 0.57 -1.89 1.63 -3.45 0.00 0.00 179.45 176.94 1qbb n LYS 296 N -3.73 0.60 -3.61 1.90 4.76 -1.26 -4.60 118.16 112.22 1qbb n LYS 296 Ca -0.01 -0.18 -0.05 0.00 -2.87 0.00 0.00 58.31 55.20 1qbb n LYS 296 Cb 0.60 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.30 1qbb n LYS 296 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1qbb s GLU 297 N -3.37 0.83 0.23 1.97 -1.05 -1.25 -4.21 118.70 111.86 1qbb s GLU 297 Ca -0.07 -0.38 0.10 0.00 -0.15 0.00 0.00 54.97 54.47 1qbb s GLU 297 Cb 0.13 0.33 -0.05 0.00 -0.44 0.00 0.00 34.13 34.10 1qbb s GLU 297 CO 0.82 -0.37 -0.19 0.00 0.95 0.00 0.00 175.26 176.47 1qbb s ALA 298 N -3.01 2.43 -0.03 -0.84 0.00 0.26 -1.01 121.76 119.56 1qbb s ALA 298 Ca 0.09 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 1qbb s ALA 298 Cb -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1qbb s ALA 298 CO -0.04 0.24 0.03 -1.14 0.00 0.00 0.00 175.76 174.85 1qbb s GLN 299 N -3.32 0.10 -0.20 0.00 0.74 -0.60 -0.03 119.66 116.35 1qbb s GLN 299 Ca 0.25 0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.82 1qbb s GLN 299 Cb -0.04 -0.46 -0.02 0.00 1.10 0.00 0.00 33.01 33.59 1qbb s GLN 299 CO 0.11 -0.22 -0.02 0.08 -0.55 0.00 0.00 175.29 174.69 1qbb s VAL 300 N 1.48 3.77 -0.30 1.34 1.01 0.21 -1.69 120.40 126.22 1qbb s VAL 300 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1qbb s VAL 300 Cb -0.13 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1qbb s VAL 300 CO -0.03 0.43 0.03 -0.63 0.00 0.00 0.00 175.10 174.90 1qbb s ILE 301 N 1.08 3.32 0.25 2.22 1.01 -0.39 -1.44 121.20 127.26 1qbb s ILE 301 Ca 0.02 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 59.59 1qbb s ILE 301 Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1qbb s ILE 301 CO 0.01 -0.04 0.26 -0.83 0.00 0.00 0.00 174.94 174.34 1qbb s GLY 302 N 1.34 1.37 0.32 6.18 0.00 0.39 -0.34 107.32 116.59 1qbb s GLY 302 Ca -0.02 -1.37 0.10 0.00 0.00 0.00 0.00 44.72 43.42 1qbb s GLY 302 CO -0.00 -1.40 1.73 -2.75 0.00 0.00 0.00 173.10 170.67 1qbb h PHE 303 N 1.37 0.11 -2.63 1.90 3.57 -1.42 -1.29 116.94 118.56 1qbb h PHE 303 Ca -0.49 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 60.92 1qbb h PHE 303 Cb 1.24 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1qbb h PHE 303 CO 0.52 0.53 0.07 -0.40 -2.23 0.00 0.00 178.31 176.79 1qbb n ASP 304 N -4.00 -0.95 -0.18 0.41 5.75 -1.26 -3.93 116.55 112.39 1qbb n ASP 304 Ca -0.02 -1.80 -0.03 0.00 -0.01 0.00 0.00 54.79 52.94 1qbb n ASP 304 Cb 0.48 1.62 0.18 0.00 -1.03 0.00 0.00 41.12 42.37 1qbb n ASP 304 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1qbb h GLN 305 N 0.00 0.93 -0.52 0.11 4.20 -1.91 -1.51 115.11 116.41 1qbb h GLN 305 Ca -0.15 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1qbb h GLN 305 Cb 0.58 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1qbb h GLN 305 CO 0.19 0.77 0.32 0.00 -0.67 0.00 0.00 178.83 179.44 1qbb h ALA 306 N 1.35 0.66 -0.77 3.87 0.00 -1.95 0.09 119.26 122.52 1qbb h ALA 306 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1qbb h ALA 306 Cb 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1qbb h ALA 306 CO -0.02 0.14 0.50 0.78 0.00 0.00 0.00 179.25 180.66 1qbb h GLY 307 N 0.70 1.09 0.73 0.00 0.00 -1.62 0.15 103.07 104.12 1qbb h GLY 307 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1qbb h GLY 307 CO -0.04 0.37 -0.03 -2.08 0.00 0.00 0.00 176.54 174.77 1qbb h VAL 308 N 1.02 1.12 -0.70 4.60 2.07 -1.03 -0.74 116.25 122.60 1qbb h VAL 308 Ca 0.29 -0.61 0.12 0.00 0.82 0.00 0.00 66.70 67.32 1qbb h VAL 308 Cb -0.08 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1qbb h VAL 308 CO -0.08 0.15 0.27 0.15 0.02 0.00 0.00 177.57 178.09 1qbb h PHE 309 N -0.35 0.47 -0.47 1.57 3.57 -0.59 -1.35 116.94 119.78 1qbb h PHE 309 Ca -0.01 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 1qbb h PHE 309 Cb 0.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1qbb h PHE 309 CO 0.02 0.08 -0.13 1.88 -2.23 0.00 0.00 178.31 177.93 1qbb h TYR 310 N 0.43 0.97 -0.26 0.41 0.05 -0.68 -1.33 116.97 116.56 1qbb h TYR 310 Ca 0.37 -0.19 -0.09 0.00 0.05 0.00 0.00 58.73 58.87 1qbb h TYR 310 Cb 0.53 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1qbb h TYR 310 CO -0.17 0.94 -0.22 0.78 -1.05 0.00 0.00 178.16 178.45 1qbb h GLY 311 N 0.96 0.51 1.38 3.88 0.00 -0.28 -1.99 103.07 107.53 1qbb h GLY 311 Ca 0.12 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1qbb h GLY 311 CO 0.05 0.36 -0.26 1.41 0.00 0.00 0.00 176.54 178.09 1qbb h LEU 312 N 0.42 0.73 -1.03 3.11 3.38 -0.92 -2.87 115.31 118.14 1qbb h LEU 312 Ca 0.07 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1qbb h LEU 312 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1qbb h LEU 312 CO 0.04 0.96 -0.47 1.56 0.09 0.00 0.00 178.44 180.62 1qbb h GLN 313 N 0.61 0.00 -0.45 1.13 1.08 -0.80 -2.14 115.11 114.55 1qbb h GLN 313 Ca 0.08 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 1qbb h GLN 313 Cb 0.77 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 1qbb h GLN 313 CO 0.06 0.47 -0.04 0.77 -0.95 0.00 0.00 178.83 179.14 1qbb h SER 314 N 0.00 0.74 -0.20 1.46 0.02 -1.24 0.33 113.55 114.67 1qbb h SER 314 Ca -0.00 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1qbb h SER 314 Cb 0.87 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1qbb h SER 314 CO 0.06 0.83 -0.17 0.40 -1.14 0.00 0.00 176.83 176.81 1qbb h ILE 315 N 0.71 1.33 -0.59 3.27 2.04 -1.28 -3.00 117.51 119.99 1qbb h ILE 315 Ca 0.13 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.73 1qbb h ILE 315 Cb 0.49 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1qbb h ILE 315 CO 0.02 0.40 0.39 -0.07 0.00 0.00 0.00 178.15 178.89 1qbb h LEU 316 N 0.13 0.54 -1.52 1.44 3.38 -1.12 -2.16 115.31 116.01 1qbb h LEU 316 Ca 0.03 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1qbb h LEU 316 Cb 0.70 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1qbb h LEU 316 CO 0.04 0.37 -0.25 0.77 0.09 0.00 0.00 178.44 179.46 1qbb h SER 317 N 0.63 0.00 1.27 -0.43 4.64 -0.80 -2.97 113.55 115.89 1qbb h SER 317 Ca 0.25 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 1qbb h SER 317 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1qbb h SER 317 CO -0.07 0.25 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.53 1qbb h LEU 318 N 0.00 0.00 -9.34 5.97 3.38 -1.27 -3.46 115.31 110.59 1qbb h LEU 318 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 1qbb h LEU 318 Cb 0.48 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.25 1qbb h LEU 318 CO 0.03 0.54 1.07 0.52 0.09 0.00 0.00 178.44 180.70 1qbb n VAL 319 N -3.31 0.50 -1.75 1.22 0.31 -1.12 -4.80 118.33 109.37 1qbb n VAL 319 Ca 0.01 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 63.95 1qbb n VAL 319 Cb 0.71 -1.90 0.06 0.00 -0.91 0.00 0.00 33.84 31.80 1qbb n VAL 319 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qbb s PRO 320 N 3.54 2.71 -0.10 5.55 0.04 -1.26 -4.98 135.00 140.49 1qbb s PRO 320 Ca 0.89 0.59 0.19 0.00 0.04 0.00 0.00 61.00 62.71 1qbb s PRO 320 Cb -0.64 -1.99 0.72 0.00 0.04 0.00 0.00 34.50 32.62 1qbb s PRO 320 CO 0.47 -1.17 1.63 0.43 0.04 0.00 0.00 177.00 178.40 1qbb n SER 321 N -3.12 4.69 -1.11 6.66 7.64 -1.26 -4.30 113.62 122.83 1qbb n SER 321 Ca 0.07 -2.39 0.10 0.00 1.01 0.00 0.00 58.87 57.66 1qbb n SER 321 Cb 0.56 -0.57 0.24 0.00 -1.01 0.00 0.00 64.21 63.43 1qbb n SER 321 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1qbb n ASP 322 N 1.20 3.49 0.00 6.43 5.68 -1.26 -4.99 116.55 127.10 1qbb n ASP 322 Ca 0.26 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1qbb n ASP 322 Cb 0.86 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1qbb n ASP 322 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qbb n GLY 323 N 1.34 2.58 0.33 6.12 0.00 -1.26 -4.88 105.19 109.41 1qbb n GLY 323 Ca 0.19 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.43 1qbb n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qbb h SER 324 N 0.00 0.00 -0.40 1.61 4.64 -1.94 -3.47 113.55 113.99 1qbb h SER 324 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1qbb h SER 324 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1qbb h SER 324 CO 0.00 0.00 -0.12 0.61 -0.87 0.00 0.00 176.83 176.45 1qbb n GLY 325 N -1.06 0.63 3.58 -0.77 0.00 -1.26 -4.84 105.19 101.47 1qbb n GLY 325 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1qbb n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbb s LYS 326 N -2.40 2.84 0.07 1.61 1.02 -1.26 -0.90 119.74 120.71 1qbb s LYS 326 Ca 0.00 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.49 1qbb s LYS 326 Cb 0.00 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1qbb s LYS 326 CO 0.00 0.62 -0.11 0.96 -0.92 0.00 0.00 175.35 175.90 1qbb s ILE 327 N -0.70 0.87 0.42 2.17 -4.36 -1.09 -4.52 121.20 114.00 1qbb s ILE 327 Ca 0.11 -1.29 -0.24 0.00 -0.26 0.00 0.00 60.65 58.96 1qbb s ILE 327 Cb -0.11 -0.96 -0.08 0.00 1.25 0.00 0.00 42.46 42.55 1qbb s ILE 327 CO 0.02 -0.35 1.15 0.00 0.24 0.00 0.00 174.94 175.99 1qbb s ALA 328 N -1.56 3.07 0.34 2.27 0.00 -1.26 0.08 121.76 124.71 1qbb s ALA 328 Ca -0.03 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.57 1qbb s ALA 328 Cb -0.08 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1qbb s ALA 328 CO 0.01 -0.52 1.03 0.95 0.00 0.00 0.00 175.76 177.23 1qbb s THR 329 N -1.51 3.82 0.03 0.00 -4.23 0.19 -4.72 115.64 109.22 1qbb s THR 329 Ca 0.60 1.54 -0.28 0.00 -1.18 0.00 0.00 61.69 62.36 1qbb s THR 329 Cb -0.28 -3.86 0.09 0.00 1.34 0.00 0.00 72.50 69.79 1qbb s THR 329 CO 0.35 0.15 0.95 -1.48 -0.54 0.00 0.00 174.62 174.04 1qbb s LEU 330 N -2.15 -0.28 -0.14 4.79 0.05 -0.76 -1.77 118.68 118.42 1qbb s LEU 330 Ca 0.52 -0.13 0.01 0.00 0.05 0.00 0.00 54.13 54.59 1qbb s LEU 330 Cb -0.23 2.00 0.02 0.00 -2.05 0.00 0.00 46.19 45.92 1qbb s LEU 330 CO 0.30 -0.67 -0.17 -1.81 -0.55 0.00 0.00 176.35 173.45 1qbb s ASP 331 N -2.62 2.80 0.08 1.48 1.01 -0.45 0.23 116.67 119.19 1qbb s ASP 331 Ca 0.08 -0.53 0.04 0.00 0.71 0.00 0.00 52.55 52.85 1qbb s ASP 331 Cb -0.01 -1.27 -0.03 0.00 1.01 0.00 0.00 42.92 42.62 1qbb s ASP 331 CO -0.05 0.01 -0.12 0.00 0.21 0.00 0.00 175.17 175.22 1qbb s ALA 332 N 1.15 1.09 -0.05 5.23 0.00 0.12 -0.18 121.76 129.12 1qbb s ALA 332 Ca -0.01 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1qbb s ALA 332 Cb -0.14 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1qbb s ALA 332 CO -0.06 0.06 -0.08 -1.54 0.00 0.00 0.00 175.76 174.14 1qbb s SER 333 N -2.02 1.32 0.09 0.00 1.04 0.35 -0.75 113.70 113.73 1qbb s SER 333 Ca 0.00 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.17 1qbb s SER 333 Cb -0.07 -0.62 -0.02 0.00 0.10 0.00 0.00 66.02 65.41 1qbb s SER 333 CO 0.01 -0.01 0.13 -0.62 0.98 0.00 0.00 173.24 173.73 1qbb s ASP 334 N 0.79 0.23 -0.16 7.02 2.15 -0.06 -1.87 116.67 124.77 1qbb s ASP 334 Ca -0.13 -0.82 -0.30 0.00 0.43 0.00 0.00 52.55 51.73 1qbb s ASP 334 Cb -0.15 0.31 0.13 0.00 -0.30 0.00 0.00 42.92 42.91 1qbb s ASP 334 CO 0.02 -0.71 1.03 0.00 -0.17 0.00 0.00 175.17 175.34 1qbb s ALA 335 N -3.91 -1.95 0.33 3.66 0.00 -1.26 -1.87 121.76 116.77 1qbb s ALA 335 Ca 0.08 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 1qbb s ALA 335 Cb 0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 1qbb s ALA 335 CO -0.08 -0.34 1.11 -1.25 0.00 0.00 0.00 175.76 175.20 1qbb s PRO 336 N -1.27 4.42 0.35 0.00 0.04 -1.26 -4.75 135.00 132.53 1qbb s PRO 336 Ca 0.00 1.77 0.16 0.00 0.04 0.00 0.00 61.00 62.96 1qbb s PRO 336 Cb -0.01 -2.96 0.64 0.00 0.04 0.00 0.00 34.50 32.22 1qbb s PRO 336 CO -0.00 0.03 1.73 0.07 0.04 0.00 0.00 177.00 178.87 1qbb h ARG 337 N 3.31 0.00 -4.91 4.56 0.11 -1.31 -3.44 114.38 112.70 1qbb h ARG 337 Ca -0.47 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.21 1qbb h ARG 337 Cb 1.22 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 32.03 1qbb h ARG 337 CO 0.65 0.43 -0.78 -0.06 0.10 0.00 0.00 179.97 180.31 1qbb s PHE 338 N -3.75 0.93 -0.11 4.08 0.08 -1.25 -5.05 117.98 112.92 1qbb s PHE 338 Ca -0.01 -0.25 0.27 0.00 0.12 0.00 0.00 56.93 57.06 1qbb s PHE 338 Cb 0.12 -0.58 0.85 0.00 -0.57 0.00 0.00 43.02 42.84 1qbb s PHE 338 CO 0.71 -0.01 1.79 -1.00 -0.10 0.00 0.00 175.22 176.61 1qbb h PRO 339 N 5.48 0.00 -4.75 0.24 0.13 -1.86 -3.42 132.00 127.82 1qbb h PRO 339 Ca -0.33 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 1qbb h PRO 339 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 1qbb h PRO 339 CO 0.47 0.06 -0.71 -0.47 -0.23 0.00 0.00 178.00 177.12 1qbb s TYR 340 N -3.45 3.37 -0.41 1.56 6.14 -1.24 -4.95 117.35 118.37 1qbb s TYR 340 Ca 0.03 -2.21 0.02 0.00 0.64 0.00 0.00 57.07 55.55 1qbb s TYR 340 Cb 0.08 -2.31 0.13 0.00 0.42 0.00 0.00 41.96 40.28 1qbb s TYR 340 CO 0.61 -0.86 0.20 1.03 0.64 0.00 0.00 175.55 177.17 1qbb s ARG 341 N 1.15 1.23 0.23 4.97 0.52 -1.26 -1.85 118.95 123.94 1qbb s ARG 341 Ca -0.02 -1.85 0.08 0.00 -0.52 0.00 0.00 55.73 53.41 1qbb s ARG 341 Cb -0.20 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1qbb s ARG 341 CO -0.03 -1.11 0.08 0.20 0.02 0.00 0.00 175.30 174.45 1qbb s GLY 342 N 0.60 1.60 -0.11 -3.53 0.00 0.42 -1.54 107.32 104.76 1qbb s GLY 342 Ca 0.16 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1qbb s GLY 342 CO -0.05 -1.50 -0.12 -0.42 0.00 0.00 0.00 173.10 171.01 1qbb s ILE 343 N -2.06 1.28 -0.16 0.90 -1.09 -0.82 -1.94 121.20 117.31 1qbb s ILE 343 Ca 0.31 -0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 58.17 1qbb s ILE 343 Cb -0.08 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1qbb s ILE 343 CO 0.22 0.40 0.08 0.12 -1.23 0.00 0.00 174.94 174.53 1qbb s PHE 344 N 1.24 3.35 -0.11 3.97 2.19 -0.33 -1.32 117.98 126.97 1qbb s PHE 344 Ca -0.03 0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.48 1qbb s PHE 344 Cb -0.14 -2.03 0.02 0.00 -1.31 0.00 0.00 43.02 39.56 1qbb s PHE 344 CO -0.04 0.35 -0.12 -1.17 1.83 0.00 0.00 175.22 176.07 1qbb s LEU 345 N -0.10 1.50 -0.36 6.12 2.96 -0.77 -1.45 118.68 126.57 1qbb s LEU 345 Ca 0.08 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 1qbb s LEU 345 Cb -0.12 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.61 1qbb s LEU 345 CO 0.01 -0.05 0.69 -0.62 -1.32 0.00 0.00 176.35 175.06 1qbb s ASP 346 N 1.31 6.47 0.00 3.68 2.15 -0.83 -1.19 116.67 128.26 1qbb s ASP 346 Ca -0.01 0.20 0.12 0.00 0.43 0.00 0.00 52.55 53.29 1qbb s ASP 346 Cb -0.14 -2.35 0.09 0.00 -0.30 0.00 0.00 42.92 40.22 1qbb s ASP 346 CO -0.05 -0.66 0.88 1.33 -0.17 0.00 0.00 175.17 176.50 1qbb n VAL 347 N 5.68 0.00 -0.02 1.11 0.24 -1.09 -4.45 118.33 119.80 1qbb n VAL 347 Ca 0.00 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.34 61.60 1qbb n VAL 347 Cb 0.48 1.25 -0.13 0.00 -1.47 0.00 0.00 33.84 33.97 1qbb n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qbb h ALA 348 N 2.39 0.19 -0.11 2.33 0.00 -1.84 -3.20 119.26 119.02 1qbb h ALA 348 Ca 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 54.91 53.83 1qbb h ALA 348 Cb 0.50 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1qbb h ALA 348 CO 0.00 0.77 0.06 0.00 0.00 0.00 0.00 179.25 180.08 1qbb h ARG 349 N -0.46 0.15 -3.32 0.00 -0.00 -1.89 -3.29 114.38 105.57 1qbb h ARG 349 Ca -0.30 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.98 58.95 1qbb h ARG 349 Cb 1.63 -0.03 -0.29 0.00 0.00 0.00 0.00 29.97 31.28 1qbb h ARG 349 CO 0.01 0.14 -0.58 -0.80 0.00 0.00 0.00 179.97 178.74 1qbb s ASN 350 N -5.35 -0.13 0.48 7.04 0.01 -1.26 -4.92 114.94 110.82 1qbb s ASN 350 Ca -0.13 0.29 -0.21 0.00 -0.71 0.00 0.00 52.86 52.10 1qbb s ASN 350 Cb 0.07 0.23 -0.08 0.00 0.41 0.00 0.00 41.25 41.87 1qbb s ASN 350 CO 0.68 -0.10 1.05 0.12 -1.51 0.00 0.00 177.10 177.33 1qbb s PHE 351 N 0.69 3.01 -0.06 2.20 5.36 -1.21 -4.24 117.98 123.72 1qbb s PHE 351 Ca -0.05 1.58 0.02 0.00 -0.96 0.00 0.00 56.93 57.52 1qbb s PHE 351 Cb -0.07 -3.09 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1qbb s PHE 351 CO -0.03 -0.86 -0.10 -1.01 -1.46 0.00 0.00 175.22 171.75 1qbb s HIS 352 N -1.92 1.31 0.70 10.12 3.76 -1.26 -4.85 115.29 123.16 1qbb s HIS 352 Ca 0.66 -0.48 -0.14 0.00 -0.15 0.00 0.00 55.06 54.95 1qbb s HIS 352 Cb -0.18 -1.00 0.02 0.00 1.11 0.00 0.00 32.58 32.54 1qbb s HIS 352 CO 0.22 -0.27 1.13 0.15 -0.85 0.00 0.00 174.74 175.11 1qbb s LYS 353 N 0.79 2.49 0.24 1.40 1.02 -1.26 -4.82 119.74 119.59 1qbb s LYS 353 Ca -0.13 1.46 -0.06 0.00 0.02 0.00 0.00 55.97 57.27 1qbb s LYS 353 Cb -0.15 -1.90 0.43 0.00 -0.52 0.00 0.00 37.83 35.68 1qbb s LYS 353 CO 0.02 -1.51 1.69 -0.22 -0.92 0.00 0.00 175.35 174.42 1qbb h LYS 354 N -0.27 0.27 -0.97 1.68 3.64 -1.99 -0.98 116.57 117.94 1qbb h LYS 354 Ca -0.46 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 1qbb h LYS 354 Cb 1.26 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1qbb h LYS 354 CO 0.52 0.18 0.62 0.38 -2.27 0.00 0.00 179.45 178.88 1qbb h ASP 355 N 0.28 0.94 -0.12 4.20 2.03 -1.99 -1.19 116.42 120.57 1qbb h ASP 355 Ca 0.40 0.02 -0.20 0.00 -0.73 0.00 0.00 57.03 56.52 1qbb h ASP 355 Cb 0.66 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1qbb h ASP 355 CO -0.49 0.56 -0.68 0.00 -1.03 0.00 0.00 179.24 177.60 1qbb h ALA 356 N 1.51 0.43 -0.43 4.15 0.00 -1.56 -2.03 119.26 121.33 1qbb h ALA 356 Ca 0.44 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qbb h ALA 356 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1qbb h ALA 356 CO -0.20 0.69 0.29 0.28 0.00 0.00 0.00 179.25 180.31 1qbb h VAL 357 N 0.54 1.11 -0.20 0.00 2.07 -1.03 -2.05 116.25 116.69 1qbb h VAL 357 Ca -0.02 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1qbb h VAL 357 Cb 1.29 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1qbb h VAL 357 CO 0.14 0.11 0.11 -0.07 0.02 0.00 0.00 177.57 177.87 1qbb h LEU 358 N 0.58 0.25 -1.16 2.57 3.38 -1.12 -0.92 115.31 118.89 1qbb h LEU 358 Ca 0.16 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1qbb h LEU 358 Cb -0.07 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1qbb h LEU 358 CO -0.03 0.27 0.59 0.03 0.09 0.00 0.00 178.44 179.39 1qbb h ARG 359 N 0.21 0.86 -0.44 1.13 3.08 -1.26 -0.69 114.38 117.27 1qbb h ARG 359 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1qbb h ARG 359 Cb 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1qbb h ARG 359 CO -0.01 0.57 0.18 1.25 -1.07 0.00 0.00 179.97 180.89 1qbb h LEU 360 N 0.88 0.60 -0.75 3.04 5.85 -1.09 -2.43 115.31 121.42 1qbb h LEU 360 Ca 0.44 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 1qbb h LEU 360 Cb 0.48 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1qbb h LEU 360 CO -0.21 0.60 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.28 1qbb h LEU 361 N 0.57 0.80 -0.24 2.25 3.38 0.10 -0.70 115.31 121.48 1qbb h LEU 361 Ca 0.15 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1qbb h LEU 361 Cb 0.18 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1qbb h LEU 361 CO -0.01 0.95 -0.07 0.44 0.09 0.00 0.00 178.44 179.84 1qbb h ASP 362 N 0.72 -0.24 -0.12 -0.43 3.32 -1.08 -2.10 116.42 116.49 1qbb h ASP 362 Ca 0.11 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1qbb h ASP 362 Cb 0.64 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1qbb h ASP 362 CO 0.04 -0.09 -0.31 1.56 -1.72 0.00 0.00 179.24 178.73 1qbb h GLN 363 N -0.01 0.60 -0.27 3.56 1.08 -1.17 -2.35 115.11 116.55 1qbb h GLN 363 Ca 0.12 -0.27 0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1qbb h GLN 363 Cb 0.19 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1qbb h GLN 363 CO -0.25 0.84 0.10 0.52 -0.95 0.00 0.00 178.83 179.09 1qbb h MET 364 N 0.52 0.22 -0.77 1.46 2.86 -0.91 -2.83 114.93 115.49 1qbb h MET 364 Ca 0.06 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1qbb h MET 364 Cb 0.79 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1qbb h MET 364 CO 0.06 0.15 0.33 0.00 1.06 0.00 0.00 176.91 178.51 1qbb h ALA 365 N 1.16 0.99 -0.17 6.32 0.00 -1.24 -0.06 119.26 126.26 1qbb h ALA 365 Ca 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1qbb h ALA 365 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1qbb h ALA 365 CO -0.11 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.86 1qbb h ALA 366 N 1.17 2.09 -0.10 0.00 0.00 -1.23 -2.90 119.26 118.29 1qbb h ALA 366 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qbb h ALA 366 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qbb h ALA 366 CO -0.03 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 179.67 1qbb n TYR 367 N -4.38 0.33 -1.64 0.00 4.01 -0.98 -4.87 117.16 109.63 1qbb n TYR 367 Ca 0.01 -0.89 -0.10 0.00 -0.16 0.00 0.00 57.90 56.76 1qbb n TYR 367 Cb 0.26 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1qbb n TYR 367 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1qbb n LYS 368 N -0.96 -0.73 -2.75 -0.72 5.02 -0.81 -4.55 118.16 112.65 1qbb n LYS 368 Ca 0.16 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 1qbb n LYS 368 Cb 0.68 -4.68 -0.04 0.00 -0.02 0.00 0.00 35.03 30.97 1qbb n LYS 368 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qbb s LEU 369 N -2.50 4.46 0.00 -0.35 1.43 -0.10 -4.94 118.68 116.68 1qbb s LEU 369 Ca 0.00 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1qbb s LEU 369 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1qbb s LEU 369 CO 0.00 -0.11 0.38 -0.46 0.23 0.00 0.00 176.35 176.38 1qbb n ASN 370 N 3.11 0.75 -4.04 2.29 6.94 -0.59 -4.26 115.26 119.47 1qbb n ASN 370 Ca 0.03 -0.94 -0.29 0.00 -0.02 0.00 0.00 54.58 53.36 1qbb n ASN 370 Cb 0.50 0.09 -0.17 0.00 -2.36 0.00 0.00 39.78 37.84 1qbb n ASN 370 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1qbb s LYS 371 N -0.09 2.22 -0.39 -3.83 -0.14 -0.88 -1.33 119.74 115.30 1qbb s LYS 371 Ca 0.00 -0.55 -0.04 0.00 -1.36 0.00 0.00 55.97 54.02 1qbb s LYS 371 Cb 0.00 -1.93 0.09 0.00 -1.68 0.00 0.00 37.83 34.31 1qbb s LYS 371 CO 0.00 -0.11 0.18 0.12 -0.76 0.00 0.00 175.35 174.77 1qbb s PHE 372 N 1.14 3.49 -0.50 3.18 5.36 -0.28 -1.95 117.98 128.43 1qbb s PHE 372 Ca -0.03 -2.18 -0.23 0.00 -0.96 0.00 0.00 56.93 53.53 1qbb s PHE 372 Cb -0.14 -2.99 0.04 0.00 -0.34 0.00 0.00 43.02 39.59 1qbb s PHE 372 CO -0.04 -0.92 0.82 -1.58 -1.46 0.00 0.00 175.22 172.03 1qbb s HIS 373 N 1.21 2.93 -0.45 10.12 5.65 -0.43 -1.03 115.29 133.28 1qbb s HIS 373 Ca 0.05 -0.01 -0.12 0.00 0.25 0.00 0.00 55.06 55.23 1qbb s HIS 373 Cb -0.22 -3.80 0.08 0.00 -1.18 0.00 0.00 32.58 27.46 1qbb s HIS 373 CO -0.03 -1.13 0.34 0.12 -0.65 0.00 0.00 174.74 173.39 1qbb s PHE 374 N 3.44 3.29 -0.86 3.88 5.36 -0.18 -1.86 117.98 131.06 1qbb s PHE 374 Ca 0.28 -1.26 -0.20 0.00 -0.96 0.00 0.00 56.93 54.79 1qbb s PHE 374 Cb -0.13 -3.12 0.10 0.00 -0.34 0.00 0.00 43.02 39.53 1qbb s PHE 374 CO 0.20 -0.84 1.11 -1.58 -1.46 0.00 0.00 175.22 172.65 1qbb s HIS 375 N 1.53 2.92 -0.75 10.12 5.65 -0.33 -1.38 115.29 133.05 1qbb s HIS 375 Ca 0.04 -1.08 0.25 0.00 0.25 0.00 0.00 55.06 54.52 1qbb s HIS 375 Cb -0.24 -4.33 0.51 0.00 -1.18 0.00 0.00 32.58 27.34 1qbb s HIS 375 CO 0.04 -1.59 1.45 1.28 -0.65 0.00 0.00 174.74 175.27 1qbb n LEU 376 N 7.15 0.62 -3.81 8.88 4.77 -1.06 -2.66 117.00 130.89 1qbb n LEU 376 Ca 0.16 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1qbb n LEU 376 Cb 0.48 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1qbb n LEU 376 CO 0.56 -0.03 -0.05 -0.94 -1.33 0.00 0.00 177.39 175.60 1qbb s SER 377 N -3.92 -0.03 0.00 -1.43 1.04 -1.25 -0.55 113.70 107.56 1qbb s SER 377 Ca 0.08 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1qbb s SER 377 Cb 0.15 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1qbb s SER 377 CO 0.68 -0.57 0.00 -0.67 0.98 0.00 0.00 173.24 173.67 1qbb n ASP 378 N 0.69 0.00 -0.29 7.02 -0.08 -0.71 -4.39 116.55 118.79 1qbb n ASP 378 Ca -0.19 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.05 1qbb n ASP 378 Cb 0.59 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.15 1qbb n ASP 378 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1qbb h ASP 379 N 0.00 1.07 -0.32 1.67 3.32 -1.91 -3.02 116.42 117.22 1qbb h ASP 379 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1qbb h ASP 379 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1qbb h ASP 379 CO 0.00 0.91 0.00 -0.62 -1.72 0.00 0.00 179.24 177.81 1qbb n GLU 380 N -4.30 2.39 0.00 3.56 4.71 -1.26 -2.06 120.64 123.68 1qbb n GLU 380 Ca 0.08 -2.09 0.00 0.00 -0.01 0.00 0.00 57.16 55.14 1qbb n GLU 380 Cb 0.15 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1qbb n GLU 380 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qbb n GLY 381 N 1.45 0.89 2.84 0.62 0.00 -1.24 -4.86 105.19 104.89 1qbb n GLY 381 Ca 0.18 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1qbb n GLY 381 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qbb s TRP 382 N -2.00 1.18 -0.21 1.61 -0.11 -0.05 -1.74 118.94 117.63 1qbb s TRP 382 Ca 0.00 -0.58 0.15 0.00 1.22 0.00 0.00 56.10 56.89 1qbb s TRP 382 Cb 0.00 -1.07 0.33 0.00 -1.50 0.00 0.00 33.47 31.22 1qbb s TRP 382 CO 0.00 -0.46 1.23 0.54 -4.62 0.00 0.00 176.95 173.63 1qbb n ARG 383 N 5.02 2.21 -3.83 5.86 5.12 0.29 -3.61 116.66 127.73 1qbb n ARG 383 Ca -0.10 -2.46 -0.25 0.00 -1.93 0.00 0.00 57.85 53.11 1qbb n ARG 383 Cb 0.50 -1.52 -0.17 0.00 -1.16 0.00 0.00 32.46 30.11 1qbb n ARG 383 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1qbb s ILE 384 N -2.41 0.70 0.10 0.55 1.10 -1.26 -0.21 121.20 119.77 1qbb s ILE 384 Ca 0.30 -0.19 -0.32 0.00 -0.51 0.00 0.00 60.65 59.94 1qbb s ILE 384 Cb 0.24 -0.85 -0.11 0.00 0.15 0.00 0.00 42.46 41.89 1qbb s ILE 384 CO 0.06 0.22 1.84 1.21 -2.11 0.00 0.00 174.94 176.16 1qbb n GLU 385 N 5.04 2.72 -4.05 3.50 2.13 -0.70 -4.76 120.64 124.51 1qbb n GLU 385 Ca -0.10 0.99 -0.32 0.00 0.66 0.00 0.00 57.16 58.39 1qbb n GLU 385 Cb 0.49 -2.88 -0.15 0.00 0.27 0.00 0.00 31.44 29.17 1qbb n GLU 385 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1qbb s ILE 386 N 2.86 2.23 -0.02 6.31 -1.09 -1.26 -4.59 121.20 125.64 1qbb s ILE 386 Ca 0.83 -1.72 -0.36 0.00 -2.23 0.00 0.00 60.65 57.17 1qbb s ILE 386 Cb -0.50 -2.36 -0.14 0.00 -1.58 0.00 0.00 42.46 37.88 1qbb s ILE 386 CO 0.39 -0.11 1.66 -2.65 -1.23 0.00 0.00 174.94 172.99 1qbb n PRO 387 N 4.42 1.76 -0.01 2.79 -0.02 -1.26 -1.67 135.00 141.01 1qbb n PRO 387 Ca -0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1qbb n PRO 387 Cb 0.42 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1qbb n PRO 387 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qbb n GLY 388 N 3.69 0.84 2.40 -1.23 0.00 -1.26 -4.94 105.19 104.69 1qbb n GLY 388 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1qbb n GLY 388 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qbb n LEU 389 N 0.00 1.81 -0.03 0.99 4.77 -0.67 -4.97 117.00 118.91 1qbb n LEU 389 Ca 0.00 -5.12 0.15 0.00 -0.03 0.00 0.00 56.01 51.01 1qbb n LEU 389 Cb 0.00 0.38 0.58 0.00 -2.33 0.00 0.00 43.42 42.04 1qbb n LEU 389 CO 0.00 2.27 1.18 1.55 -1.33 0.00 0.00 177.39 181.06 1qbb h PRO 390 N 2.99 0.22 0.00 3.23 0.13 -1.92 -2.61 132.00 134.04 1qbb h PRO 390 Ca 0.10 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1qbb h PRO 390 Cb 0.86 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1qbb h PRO 390 CO 0.58 0.15 -0.01 0.93 -0.23 0.00 0.00 178.00 179.42 1qbb h GLU 391 N 0.23 0.00 -1.00 0.86 3.07 -1.93 -1.75 114.58 114.06 1qbb h GLU 391 Ca 0.25 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.16 1qbb h GLU 391 Cb 0.67 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.52 1qbb h GLU 391 CO -0.05 0.01 0.65 -0.07 -1.40 0.00 0.00 179.01 178.16 1qbb h LEU 392 N 0.00 1.08 0.02 1.33 3.38 -1.77 0.27 115.31 119.61 1qbb h LEU 392 Ca -0.00 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 1qbb h LEU 392 Cb 0.02 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1qbb h LEU 392 CO 0.00 0.72 -2.31 0.35 0.09 0.00 0.00 178.44 177.29 1qbb n THR 393 N -4.47 1.53 -0.27 0.22 -2.24 -1.06 -1.73 114.28 106.25 1qbb n THR 393 Ca 0.14 -0.67 -0.06 0.00 -2.27 0.00 0.00 64.05 61.19 1qbb n THR 393 Cb 0.13 -1.21 0.06 0.00 -2.10 0.00 0.00 70.33 67.21 1qbb n THR 393 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qbb h GLU 394 N 0.01 1.12 0.00 -0.78 5.08 -1.29 -2.37 114.58 116.36 1qbb h GLU 394 Ca -0.52 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 1qbb h GLU 394 Cb 2.02 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1qbb h GLU 394 CO -0.02 0.91 -0.93 0.28 -1.00 0.00 0.00 179.01 178.25 1qbb n VAL 395 N -4.33 1.45 0.31 3.13 0.31 0.06 -4.62 118.33 114.63 1qbb n VAL 395 Ca 0.06 0.16 0.19 0.00 -0.01 0.00 0.00 64.34 64.75 1qbb n VAL 395 Cb 0.17 -2.30 0.95 0.00 -0.91 0.00 0.00 33.84 31.76 1qbb n VAL 395 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1qbb h GLY 396 N -0.93 0.00 0.01 2.92 0.00 -1.05 -2.53 103.07 101.49 1qbb h GLY 396 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qbb h GLY 396 CO 0.00 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.14 1qbb n GLY 397 N -0.72 -0.33 3.21 4.60 0.00 -0.89 -0.87 105.19 110.20 1qbb n GLY 397 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1qbb n GLY 397 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qbb s GLN 398 N -2.03 0.59 -0.05 1.61 -2.07 -0.95 -1.67 119.66 115.09 1qbb s GLN 398 Ca 0.40 -0.09 0.05 0.00 -1.82 0.00 0.00 55.36 53.89 1qbb s GLN 398 Cb 0.21 0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 1qbb s GLN 398 CO 0.35 -0.15 -0.17 1.03 -1.32 0.00 0.00 175.29 175.04 1qbb s ARG 399 N -1.04 2.44 0.05 9.60 0.52 0.07 -1.12 118.95 129.47 1qbb s ARG 399 Ca -0.11 -0.75 -0.28 0.00 -0.52 0.00 0.00 55.73 54.07 1qbb s ARG 399 Cb -0.05 -2.30 0.09 0.00 0.52 0.00 0.00 34.95 33.21 1qbb s ARG 399 CO 0.03 0.59 0.94 0.00 0.02 0.00 0.00 175.30 176.88 1qbb s HIS 401 N -3.14 2.39 -0.32 0.00 2.46 -0.13 -3.72 115.29 112.85 1qbb s HIS 401 Ca 0.08 -0.58 -0.02 0.00 0.47 0.00 0.00 55.06 55.01 1qbb s HIS 401 Cb -0.01 -4.56 0.11 0.00 -0.13 0.00 0.00 32.58 28.00 1qbb s HIS 401 CO -0.05 -1.87 0.15 0.34 -2.47 0.00 0.00 174.74 170.84 1qbb s ASP 402 N 5.56 3.51 0.55 9.88 2.15 -1.26 -5.01 116.67 132.04 1qbb s ASP 402 Ca 0.52 -1.68 0.33 0.00 0.43 0.00 0.00 52.55 52.15 1qbb s ASP 402 Cb -0.01 -0.52 1.51 0.00 -0.30 0.00 0.00 42.92 43.61 1qbb s ASP 402 CO -0.06 -0.39 2.05 -0.07 -0.17 0.00 0.00 175.17 176.53 1qbb h LEU 403 N 7.88 0.00 0.00 -1.34 3.38 -1.94 -1.73 115.31 121.56 1qbb h LEU 403 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1qbb h LEU 403 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1qbb h LEU 403 CO 0.41 0.05 -0.21 -1.54 0.09 0.00 0.00 178.44 177.24 1qbb n SER 404 N -3.22 0.60 -4.13 -0.43 3.41 -1.26 -4.96 113.62 103.63 1qbb n SER 404 Ca -0.01 0.37 -0.29 0.00 -0.26 0.00 0.00 58.87 58.68 1qbb n SER 404 Cb 0.27 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.77 1qbb n SER 404 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qbb n GLU 405 N -2.01 -2.02 -0.03 4.33 1.02 -0.65 -4.90 120.64 116.38 1qbb n GLU 405 Ca 0.05 0.24 0.05 0.00 -0.02 0.00 0.00 57.16 57.48 1qbb n GLU 405 Cb 0.41 -4.00 -0.15 0.00 -0.02 0.00 0.00 31.44 27.68 1qbb n GLU 405 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1qbb n THR 406 N -4.51 0.33 0.00 2.62 5.66 -1.26 -4.60 114.28 112.53 1qbb n THR 406 Ca -0.31 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1qbb n THR 406 Cb 0.69 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1qbb n THR 406 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1qbb n THR 407 N -2.31 0.00 -3.84 1.09 5.66 -1.26 -4.92 114.28 108.70 1qbb n THR 407 Ca -0.11 -0.05 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 1qbb n THR 407 Cb 0.66 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 1qbb n THR 407 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qbb s LEU 409 N -2.88 3.79 0.65 0.00 1.43 -0.27 -4.17 118.68 117.22 1qbb s LEU 409 Ca 0.08 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 1qbb s LEU 409 Cb 0.04 -4.29 -0.01 0.00 0.03 0.00 0.00 46.19 41.96 1qbb s LEU 409 CO -0.07 -0.44 1.29 -0.76 0.23 0.00 0.00 176.35 176.59 1qbb s LEU 410 N -3.74 3.57 0.45 1.79 1.43 -1.26 -1.17 118.68 119.75 1qbb s LEU 410 Ca 0.56 2.61 -0.25 0.00 -1.03 0.00 0.00 54.13 56.01 1qbb s LEU 410 Cb -0.10 -4.62 -0.08 0.00 0.03 0.00 0.00 46.19 41.42 1qbb s LEU 410 CO 0.27 -2.00 1.43 -2.84 0.23 0.00 0.00 176.35 173.44 1qbb s PRO 411 N -3.39 3.69 0.03 1.29 0.02 -1.24 -4.62 135.00 130.78 1qbb s PRO 411 Ca 0.82 2.42 -0.09 0.00 0.02 0.00 0.00 61.00 64.17 1qbb s PRO 411 Cb -0.37 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1qbb s PRO 411 CO 0.40 -0.81 0.18 -0.65 -0.33 0.00 0.00 177.00 175.79 1qbb s GLN 412 N -2.45 0.65 -1.03 5.54 -1.52 -1.26 -4.67 119.66 114.92 1qbb s GLN 412 Ca 0.61 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 53.44 1qbb s GLN 412 Cb -0.44 0.27 0.00 0.00 -0.22 0.00 0.00 33.01 32.62 1qbb s GLN 412 CO 0.56 -0.18 0.00 0.66 -0.25 0.00 0.00 175.29 176.08 1qbb n TYR 413 N 0.84 -0.39 -3.34 0.91 4.01 -1.26 -3.91 117.16 114.01 1qbb n TYR 413 Ca -0.20 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.36 1qbb n TYR 413 Cb 0.58 -2.47 0.06 0.00 -0.31 0.00 0.00 39.34 37.20 1qbb n TYR 413 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qbb n GLY 414 N -1.18 -0.24 1.17 2.72 0.00 -1.26 -4.89 105.19 101.52 1qbb n GLY 414 Ca -0.13 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1qbb n GLY 414 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qbb n GLN 415 N -4.01 2.61 0.00 1.61 1.13 -1.25 -4.51 117.38 112.96 1qbb n GLN 415 Ca -0.03 -2.43 0.00 0.00 -1.94 0.00 0.00 57.00 52.61 1qbb n GLN 415 Cb 0.56 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1qbb n GLN 415 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qbb n GLY 416 N 1.42 -0.29 0.15 1.08 0.00 -1.26 -4.75 105.19 101.54 1qbb n GLY 416 Ca 0.21 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.52 1qbb n GLY 416 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qbb h PRO 417 N 0.00 0.00 -7.50 1.61 0.13 -1.96 -3.46 132.00 120.82 1qbb h PRO 417 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1qbb h PRO 417 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1qbb h PRO 417 CO 0.00 0.08 0.34 -0.51 -0.23 0.00 0.00 178.00 177.69 1qbb s ASP 418 N -5.79 4.63 -0.15 1.44 1.01 -1.26 -0.95 116.67 115.59 1qbb s ASP 418 Ca 0.02 0.67 -0.39 0.00 0.71 0.00 0.00 52.55 53.56 1qbb s ASP 418 Cb 0.08 -1.22 -0.16 0.00 1.01 0.00 0.00 42.92 42.63 1qbb s ASP 418 CO 0.75 -1.79 1.64 0.52 0.21 0.00 0.00 175.17 176.50 1qbb n VAL 419 N -3.17 0.23 -3.87 -1.27 0.31 -1.26 -4.54 118.33 104.76 1qbb n VAL 419 Ca 0.08 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.14 1qbb n VAL 419 Cb 0.61 -1.16 -0.17 0.00 -0.91 0.00 0.00 33.84 32.20 1qbb n VAL 419 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1qbb s TYR 420 N 2.67 0.73 -2.42 3.52 5.04 -0.41 -4.98 117.35 121.50 1qbb s TYR 420 Ca 0.94 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1qbb s TYR 420 Cb -1.00 -0.79 0.00 0.00 0.35 0.00 0.00 41.96 40.52 1qbb s TYR 420 CO 0.59 -0.30 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 1qbb n GLY 421 N 4.86 -0.55 0.00 8.97 0.00 -1.26 -0.75 105.19 116.46 1qbb n GLY 421 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1qbb n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbb n GLY 422 N 0.00 2.78 3.48 -0.02 0.00 -0.67 -4.97 105.19 105.79 1qbb n GLY 422 Ca 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1qbb n GLY 422 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qbb s PHE 423 N -2.00 -0.42 -0.20 1.61 -0.12 -1.26 -4.73 117.98 110.85 1qbb s PHE 423 Ca 0.00 0.29 -0.24 0.00 -0.05 0.00 0.00 56.93 56.93 1qbb s PHE 423 Cb 0.00 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1qbb s PHE 423 CO 0.00 -0.64 0.80 -0.06 -0.05 0.00 0.00 175.22 175.27 1qbb s PHE 424 N -3.20 3.37 1.08 3.49 0.08 0.70 -4.96 117.98 118.54 1qbb s PHE 424 Ca 0.03 1.15 -0.13 0.00 0.12 0.00 0.00 56.93 58.10 1qbb s PHE 424 Cb -0.01 -2.99 0.23 0.00 -0.57 0.00 0.00 43.02 39.68 1qbb s PHE 424 CO -0.09 -0.29 1.07 -1.54 -0.10 0.00 0.00 175.22 174.26 1qbb s SER 425 N 1.24 1.87 0.26 1.36 1.04 -1.26 -1.73 113.70 116.47 1qbb s SER 425 Ca 0.35 1.25 -0.05 0.00 0.48 0.00 0.00 55.95 57.99 1qbb s SER 425 Cb -0.16 -1.96 0.32 0.00 0.10 0.00 0.00 66.02 64.32 1qbb s SER 425 CO 0.10 -3.61 1.91 -0.09 0.98 0.00 0.00 173.24 172.53 1qbb h ARG 426 N -2.22 1.25 -0.23 4.02 2.43 -1.98 -1.28 114.38 116.37 1qbb h ARG 426 Ca -0.58 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.39 1qbb h ARG 426 Cb 1.34 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1qbb h ARG 426 CO 0.55 0.83 -0.36 0.37 -1.51 0.00 0.00 179.97 179.84 1qbb h GLN 427 N 1.29 0.66 -0.60 0.20 5.75 -1.98 -1.57 115.11 118.85 1qbb h GLN 427 Ca 0.39 -0.40 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1qbb h GLN 427 Cb -0.02 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.47 1qbb h GLN 427 CO -0.12 1.01 0.09 -0.44 -2.65 0.00 0.00 178.83 176.72 1qbb h ASP 428 N 0.37 -0.08 -0.21 -0.69 3.32 -1.84 -0.04 116.42 117.24 1qbb h ASP 428 Ca 0.02 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1qbb h ASP 428 Cb 0.95 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1qbb h ASP 428 CO 0.08 -0.03 0.08 0.22 -1.72 0.00 0.00 179.24 177.87 1qbb h TYR 429 N 0.21 0.33 -0.91 4.55 3.20 -1.07 -1.47 116.97 121.81 1qbb h TYR 429 Ca 0.32 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.19 1qbb h TYR 429 Cb 0.49 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1qbb h TYR 429 CO -0.28 0.37 0.59 0.82 -1.64 0.00 0.00 178.16 178.02 1qbb h ILE 430 N 0.19 1.16 -0.38 1.81 2.04 -0.98 -1.62 117.51 119.73 1qbb h ILE 430 Ca 0.07 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1qbb h ILE 430 Cb 0.18 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 1qbb h ILE 430 CO -0.01 0.21 0.20 0.44 0.00 0.00 0.00 178.15 178.99 1qbb h ASP 431 N 1.15 0.30 -0.76 1.72 3.32 -0.74 -0.64 116.42 120.77 1qbb h ASP 431 Ca 0.36 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 1qbb h ASP 431 Cb -0.01 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1qbb h ASP 431 CO -0.12 0.22 0.38 0.40 -1.72 0.00 0.00 179.24 178.41 1qbb h ILE 432 N 0.40 1.24 -0.63 0.35 2.04 -0.94 -1.59 117.51 118.39 1qbb h ILE 432 Ca 0.16 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 1qbb h ILE 432 Cb 0.05 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1qbb h ILE 432 CO -0.10 0.28 0.08 0.40 0.00 0.00 0.00 178.15 178.81 1qbb h ILE 433 N 1.06 1.26 -0.67 -0.67 2.04 -0.73 -1.58 117.51 118.22 1qbb h ILE 433 Ca 0.26 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1qbb h ILE 433 Cb 0.09 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1qbb h ILE 433 CO -0.04 0.39 0.16 0.11 0.00 0.00 0.00 178.15 178.77 1qbb h LYS 434 N 0.96 1.07 -0.39 2.37 1.57 -1.04 -1.13 116.57 119.98 1qbb h LYS 434 Ca 0.19 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1qbb h LYS 434 Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1qbb h LYS 434 CO 0.02 0.94 0.23 -0.92 -0.57 0.00 0.00 179.45 179.15 1qbb h TYR 435 N 1.01 0.52 -0.48 -1.35 3.20 -1.07 -2.67 116.97 116.13 1qbb h TYR 435 Ca 0.21 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1qbb h TYR 435 Cb 0.36 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1qbb h TYR 435 CO 0.03 0.38 0.10 0.00 -1.64 0.00 0.00 178.16 177.03 1qbb h ALA 436 N 1.10 0.64 -0.83 1.82 0.00 -1.17 -3.18 119.26 117.63 1qbb h ALA 436 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1qbb h ALA 436 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1qbb h ALA 436 CO -0.03 0.34 0.43 0.37 0.00 0.00 0.00 179.25 180.37 1qbb h GLN 437 N 0.66 1.18 0.00 0.00 5.75 -1.04 0.59 115.11 122.25 1qbb h GLN 437 Ca 0.15 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1qbb h GLN 437 Cb 0.35 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1qbb h GLN 437 CO 0.00 0.88 -0.05 0.00 -2.65 0.00 0.00 178.83 177.02 1qbb h ALA 438 N 1.23 1.76 -0.66 3.38 0.00 -1.51 -2.38 119.26 121.08 1qbb h ALA 438 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qbb h ALA 438 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qbb h ALA 438 CO -0.04 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1qbb n ARG 439 N -4.24 2.84 -2.05 0.00 1.74 -0.84 -4.12 116.66 109.98 1qbb n ARG 439 Ca -0.03 -2.50 -0.16 0.00 -0.77 0.00 0.00 57.85 54.39 1qbb n ARG 439 Cb 0.13 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 1qbb n ARG 439 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qbb n GLN 440 N 1.37 -1.21 -4.03 5.56 1.13 -0.89 -4.74 117.38 114.56 1qbb n GLN 440 Ca 0.23 0.85 -0.35 0.00 -1.94 0.00 0.00 57.00 55.79 1qbb n GLN 440 Cb 0.64 -5.17 -0.12 0.00 0.11 0.00 0.00 30.24 25.70 1qbb n GLN 440 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qbb s ILE 441 N -2.73 4.13 -0.16 5.09 1.01 0.14 -4.73 121.20 123.95 1qbb s ILE 441 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 1qbb s ILE 441 Cb 0.00 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1qbb s ILE 441 CO 0.00 0.42 0.80 -0.70 0.00 0.00 0.00 174.94 175.46 1qbb s GLU 442 N 0.98 4.30 -0.27 2.79 2.12 -0.44 -3.67 118.70 124.52 1qbb s GLU 442 Ca 0.02 0.97 -0.20 0.00 0.36 0.00 0.00 54.97 56.13 1qbb s GLU 442 Cb -0.14 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1qbb s GLU 442 CO 0.02 -0.29 0.61 0.08 -0.54 0.00 0.00 175.26 175.14 1qbb s VAL 443 N 2.01 4.99 -0.43 3.70 1.01 -1.26 -1.12 120.40 129.30 1qbb s VAL 443 Ca 0.37 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 1qbb s VAL 443 Cb -0.17 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.40 1qbb s VAL 443 CO 0.13 -0.00 0.25 -0.63 0.00 0.00 0.00 175.10 174.84 1qbb s ILE 444 N 2.49 3.56 0.12 2.22 1.01 -0.19 -4.81 121.20 125.60 1qbb s ILE 444 Ca 0.25 -1.99 -0.30 0.00 0.00 0.00 0.00 60.65 58.61 1qbb s ILE 444 Cb -0.15 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 1qbb s ILE 444 CO 0.09 -0.72 1.18 -2.16 0.00 0.00 0.00 174.94 173.33 1qbb s PRO 445 N 1.19 4.48 -0.18 2.79 0.04 -1.26 -1.01 135.00 141.06 1qbb s PRO 445 Ca 0.08 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.90 1qbb s PRO 445 Cb -0.24 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1qbb s PRO 445 CO -0.03 -0.14 -0.15 -2.00 0.04 0.00 0.00 177.00 174.72 1qbb s GLU 446 N 0.39 3.14 -0.57 4.56 2.12 -0.48 -1.63 118.70 126.24 1qbb s GLU 446 Ca 0.55 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 55.13 1qbb s GLU 446 Cb -0.30 -2.66 0.14 0.00 0.26 0.00 0.00 34.13 31.57 1qbb s GLU 446 CO 0.32 -0.12 0.34 0.42 -0.54 0.00 0.00 175.26 175.69 1qbb s ILE 447 N 1.13 3.05 0.17 -3.70 -1.09 -1.14 -2.55 121.20 117.07 1qbb s ILE 447 Ca 0.01 -3.24 -0.32 0.00 -2.23 0.00 0.00 60.65 54.87 1qbb s ILE 447 Cb -0.14 -3.05 -0.12 0.00 -1.58 0.00 0.00 42.46 37.57 1qbb s ILE 447 CO -0.06 -0.84 1.75 -0.67 -1.23 0.00 0.00 174.94 173.89 1qbb n ASP 448 N 3.19 3.91 -3.46 3.58 -0.08 -1.26 -4.45 116.55 117.98 1qbb n ASP 448 Ca 0.07 1.04 -0.13 0.00 -1.51 0.00 0.00 54.79 54.26 1qbb n ASP 448 Cb 0.34 -1.55 -0.03 0.00 2.34 0.00 0.00 41.12 42.22 1qbb n ASP 448 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qbb s MET 449 N 1.66 1.14 0.00 -0.67 0.23 -1.11 -4.44 119.30 116.11 1qbb s MET 449 Ca 0.78 -0.26 0.28 0.00 -1.03 0.00 0.00 55.69 55.46 1qbb s MET 449 Cb -0.52 0.53 1.01 0.00 -1.53 0.00 0.00 34.83 34.31 1qbb s MET 449 CO 0.35 -0.46 1.74 -0.35 -2.03 0.00 0.00 175.02 174.26 1qbb n PRO 450 N -0.03 0.31 -1.79 3.16 -0.04 -1.26 -1.70 135.00 133.65 1qbb n PRO 450 Ca -0.16 -0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.07 1qbb n PRO 450 Cb 0.62 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1qbb n PRO 450 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qbb n ALA 451 N -1.24 0.32 -4.01 0.55 0.00 -1.26 -0.89 120.51 113.96 1qbb n ALA 451 Ca 0.10 -1.05 -0.32 0.00 0.00 0.00 0.00 53.44 52.16 1qbb n ALA 451 Cb 0.31 0.22 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1qbb n ALA 451 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qbb n HIS 452 N -1.96 -2.13 -1.75 0.00 8.25 -1.19 -4.86 115.22 111.58 1qbb n HIS 452 Ca 0.09 0.87 0.05 0.00 -0.26 0.00 0.00 57.72 58.47 1qbb n HIS 452 Cb 0.31 -3.65 0.10 0.00 1.12 0.00 0.00 29.99 27.86 1qbb n HIS 452 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qbb n ALA 453 N -4.60 2.58 -0.23 -1.41 0.00 -0.73 -3.39 120.51 112.73 1qbb n ALA 453 Ca 0.05 -2.35 -0.06 0.00 0.00 0.00 0.00 53.44 51.08 1qbb n ALA 453 Cb 0.51 -0.48 0.07 0.00 0.00 0.00 0.00 19.45 19.56 1qbb n ALA 453 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qbb h ARG 454 N 0.48 1.08 -0.32 0.00 2.43 -1.70 -1.13 114.38 115.22 1qbb h ARG 454 Ca -0.05 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 58.90 1qbb h ARG 454 Cb 1.29 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1qbb h ARG 454 CO 0.02 0.96 0.11 0.00 -1.51 0.00 0.00 179.97 179.56 1qbb h ALA 455 N 1.13 0.37 -0.13 2.80 0.00 -1.28 -0.18 119.26 121.98 1qbb h ALA 455 Ca 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1qbb h ALA 455 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1qbb h ALA 455 CO 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.04 1qbb h ALA 456 N 1.20 0.16 0.00 0.00 0.00 -1.75 -1.51 119.26 117.37 1qbb h ALA 456 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qbb h ALA 456 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qbb h ALA 456 CO -0.14 -0.30 -0.00 0.28 0.00 0.00 0.00 179.25 179.08 1qbb h VAL 457 N 0.10 1.02 -0.46 0.00 2.07 -0.91 -0.74 116.25 117.34 1qbb h VAL 457 Ca 0.04 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1qbb h VAL 457 Cb 0.08 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1qbb h VAL 457 CO -0.01 0.02 -0.09 0.58 0.02 0.00 0.00 177.57 178.10 1qbb h VAL 458 N -0.04 1.26 -0.59 2.57 2.07 -1.10 -1.30 116.25 119.13 1qbb h VAL 458 Ca -0.00 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1qbb h VAL 458 Cb 0.03 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1qbb h VAL 458 CO 0.00 0.40 0.12 0.28 0.02 0.00 0.00 177.57 178.39 1qbb h SER 459 N 0.74 0.91 0.78 0.57 0.02 -1.11 -1.83 113.55 113.62 1qbb h SER 459 Ca 0.13 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1qbb h SER 459 Cb 0.57 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1qbb h SER 459 CO 0.03 0.92 -0.21 0.24 -1.14 0.00 0.00 176.83 176.67 1qbb h MET 460 N 0.86 0.00 -0.21 3.45 2.86 -0.87 -1.49 114.93 119.54 1qbb h MET 460 Ca 0.18 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.63 1qbb h MET 460 Cb 0.38 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1qbb h MET 460 CO 0.01 0.21 -0.64 0.93 1.06 0.00 0.00 176.91 178.48 1qbb h GLU 461 N 0.00 0.80 -0.45 1.72 4.39 -1.00 -0.72 114.58 119.33 1qbb h GLU 461 Ca -0.00 -0.58 -0.06 0.00 0.34 0.00 0.00 59.36 59.06 1qbb h GLU 461 Cb 0.66 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1qbb h GLU 461 CO 0.03 1.20 0.05 0.00 -1.16 0.00 0.00 179.01 179.13 1qbb h ALA 462 N 0.60 1.25 -0.24 3.43 0.00 -1.01 -1.07 119.26 122.20 1qbb h ALA 462 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1qbb h ALA 462 Cb 1.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1qbb h ALA 462 CO 0.14 0.51 0.04 -0.09 0.00 0.00 0.00 179.25 179.85 1qbb h ARG 463 N 0.67 0.41 -0.18 0.00 2.43 -1.29 -1.81 114.38 114.62 1qbb h ARG 463 Ca 0.14 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1qbb h ARG 463 Cb 0.35 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1qbb h ARG 463 CO 0.01 0.54 -0.08 -0.92 -1.51 0.00 0.00 179.97 178.01 1qbb h TYR 464 N 0.21 -0.18 -0.44 2.20 3.20 -0.87 -1.78 116.97 119.32 1qbb h TYR 464 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1qbb h TYR 464 Cb 0.33 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1qbb h TYR 464 CO 0.02 -0.12 0.22 0.87 -1.64 0.00 0.00 178.16 177.51 1qbb h LYS 465 N -0.05 0.63 -0.51 1.82 1.57 -1.11 -0.35 116.57 118.57 1qbb h LYS 465 Ca 0.10 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1qbb h LYS 465 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1qbb h LYS 465 CO -0.21 0.53 0.29 -0.22 -0.57 0.00 0.00 179.45 179.27 1qbb h LYS 466 N 0.58 0.70 0.09 3.15 3.64 -1.15 -1.58 116.57 121.99 1qbb h LYS 466 Ca 0.15 -0.08 -0.27 0.00 -1.27 0.00 0.00 60.65 59.19 1qbb h LYS 466 Cb 0.10 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1qbb h LYS 466 CO -0.02 0.53 -1.16 -0.07 -2.27 0.00 0.00 179.45 176.46 1qbb h LEU 467 N 0.67 0.63 -1.12 5.20 3.38 -1.19 -3.02 115.31 119.86 1qbb h LEU 467 Ca 0.18 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1qbb h LEU 467 Cb 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1qbb h LEU 467 CO -0.03 1.42 0.60 -0.74 0.09 0.00 0.00 178.44 179.77 1qbb h HIS 468 N 0.20 1.11 -0.09 1.13 2.76 -1.03 -0.50 115.15 118.73 1qbb h HIS 468 Ca -0.14 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.02 1qbb h HIS 468 Cb 1.84 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 30.42 1qbb h HIS 468 CO 0.08 0.66 -0.11 0.00 -1.30 0.00 0.00 177.93 177.26 1qbb h ALA 469 N 1.46 1.66 -0.06 5.26 0.00 -1.16 -2.08 119.26 124.35 1qbb h ALA 469 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qbb h ALA 469 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qbb h ALA 469 CO -0.10 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1qbb n ALA 470 N -2.50 2.58 -1.10 0.00 0.00 -0.79 -4.90 120.51 113.80 1qbb n ALA 470 Ca -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 1qbb n ALA 470 Cb 0.22 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1qbb n ALA 470 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qbb n GLY 471 N 1.11 0.53 3.08 0.00 0.00 -0.78 -4.98 105.19 104.14 1qbb n GLY 471 Ca 0.18 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1qbb n GLY 471 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qbb n LYS 472 N -2.87 4.24 -0.01 1.61 5.02 -0.26 -4.87 118.16 121.02 1qbb n LYS 472 Ca -0.02 -4.49 -0.05 0.00 -2.02 0.00 0.00 58.31 51.73 1qbb n LYS 472 Cb 0.09 -2.54 0.15 0.00 -0.02 0.00 0.00 35.03 32.71 1qbb n LYS 472 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1qbb h GLU 473 N 5.73 0.56 -0.28 1.97 4.57 -1.89 -1.17 114.58 124.06 1qbb h GLU 473 Ca 0.20 -0.23 -0.19 0.00 -1.18 0.00 0.00 59.36 57.96 1qbb h GLU 473 Cb 0.67 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1qbb h GLU 473 CO 1.28 0.79 -0.57 1.96 -1.18 0.00 0.00 179.01 181.29 1qbb h GLN 474 N 0.48 0.88 -0.81 1.92 7.50 -1.96 -2.68 115.11 120.43 1qbb h GLN 474 Ca 0.06 -0.57 -0.04 0.00 0.50 0.00 0.00 58.65 58.60 1qbb h GLN 474 Cb 0.75 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.31 1qbb h GLN 474 CO 0.06 1.20 0.35 0.93 -1.50 0.00 0.00 178.83 179.88 1qbb h GLU 475 N 0.66 1.19 -0.72 1.46 5.08 -1.92 -2.01 114.58 118.33 1qbb h GLU 475 Ca 0.01 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1qbb h GLU 475 Cb 1.18 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1qbb h GLU 475 CO 0.13 0.94 0.36 0.00 -1.00 0.00 0.00 179.01 179.43 1qbb h ALA 476 N 1.21 1.28 0.00 3.43 0.00 -1.10 -2.98 119.26 121.10 1qbb h ALA 476 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qbb h ALA 476 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qbb h ALA 476 CO -0.03 0.56 -0.63 0.09 0.00 0.00 0.00 179.25 179.25 1qbb n ASN 477 N -4.34 0.60 -0.19 0.00 3.02 -1.02 -4.13 115.26 109.20 1qbb n ASN 477 Ca 0.07 -0.07 -0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1qbb n ASN 477 Cb 0.12 0.28 0.09 0.00 -0.61 0.00 0.00 39.78 39.67 1qbb n ASN 477 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1qbb h GLU 478 N 0.00 0.28 0.00 3.52 4.81 -1.19 -3.02 114.58 118.97 1qbb h GLU 478 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1qbb h GLU 478 Cb 0.64 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1qbb h GLU 478 CO 0.00 0.18 -0.15 1.19 -0.73 0.00 0.00 179.01 179.50 1qbb n PHE 479 N -5.09 0.00 -2.01 0.92 3.72 -1.26 -4.54 117.46 109.20 1qbb n PHE 479 Ca 0.08 -1.13 -0.41 0.00 -0.05 0.00 0.00 57.45 55.94 1qbb n PHE 479 Cb 0.29 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1qbb n PHE 479 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1qbb s ARG 480 N -2.94 4.27 -0.01 -1.08 3.52 -1.14 -4.83 118.95 116.73 1qbb s ARG 480 Ca 0.33 2.33 0.09 0.00 -0.13 0.00 0.00 55.73 58.35 1qbb s ARG 480 Cb 0.30 -3.06 0.27 0.00 -1.56 0.00 0.00 34.95 30.90 1qbb s ARG 480 CO 0.00 -0.34 1.22 1.28 -0.81 0.00 0.00 175.30 176.65 1qbb n LEU 481 N 1.21 2.82 -4.25 -0.88 4.77 -1.26 -3.95 117.00 115.47 1qbb n LEU 481 Ca 0.02 -2.06 -0.30 0.00 -0.03 0.00 0.00 56.01 53.64 1qbb n LEU 481 Cb 0.41 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 1qbb n LEU 481 CO 0.61 0.69 -0.55 -0.69 -1.33 0.00 0.00 177.39 176.11 1qbb s VAL 482 N -1.12 1.94 -0.46 4.08 1.01 -1.26 -2.30 120.40 122.29 1qbb s VAL 482 Ca 0.20 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1qbb s VAL 482 Cb 0.11 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1qbb s VAL 482 CO 0.13 0.54 0.72 -0.62 0.00 0.00 0.00 175.10 175.87 1qbb s ASP 483 N -0.20 6.35 0.37 3.32 -1.08 -1.26 -4.96 116.67 119.21 1qbb s ASP 483 Ca -0.01 -0.32 0.25 0.00 -0.52 0.00 0.00 52.55 51.95 1qbb s ASP 483 Cb -0.13 -2.35 1.34 0.00 -1.46 0.00 0.00 42.92 40.32 1qbb s ASP 483 CO 0.03 -0.88 1.75 1.55 0.52 0.00 0.00 175.17 178.14 1qbb h PRO 484 N 8.97 0.00 0.00 4.34 0.13 -2.00 -0.31 132.00 143.13 1qbb h PRO 484 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1qbb h PRO 484 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qbb h PRO 484 CO 0.94 0.00 -0.58 1.79 -0.23 0.00 0.00 178.00 179.93 1qbb h THR 485 N 0.00 0.00 -2.98 1.56 1.35 -1.93 -3.46 112.91 107.46 1qbb h THR 485 Ca 0.00 -0.56 -0.57 0.00 -0.55 0.00 0.00 66.41 64.73 1qbb h THR 485 Cb 0.03 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.60 1qbb h THR 485 CO 0.00 0.00 0.96 -0.62 -0.25 0.00 0.00 175.52 175.61 1qbb s ASP 486 N -4.45 6.76 -0.18 5.36 -1.08 -0.13 -4.75 116.67 118.19 1qbb s ASP 486 Ca 0.06 1.50 0.15 0.00 -0.52 0.00 0.00 52.55 53.74 1qbb s ASP 486 Cb 0.13 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.44 1qbb s ASP 486 CO 0.71 -0.96 1.25 0.35 0.52 0.00 0.00 175.17 177.04 1qbb n THR 487 N 5.84 2.13 -1.76 1.71 -2.24 -1.26 -4.98 114.28 113.72 1qbb n THR 487 Ca 0.15 -2.62 -0.41 0.00 -2.27 0.00 0.00 64.05 58.89 1qbb n THR 487 Cb 0.46 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1qbb n THR 487 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qbb n SER 488 N -1.18 3.73 -4.27 3.42 7.64 -1.26 -4.93 113.62 116.76 1qbb n SER 488 Ca 0.20 1.20 -0.43 0.00 1.01 0.00 0.00 58.87 60.85 1qbb n SER 488 Cb 0.74 -1.60 -0.07 0.00 -1.01 0.00 0.00 64.21 62.27 1qbb n SER 488 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1qbb s ASN 489 N 0.04 5.95 -0.01 6.43 2.47 -1.26 -4.62 114.94 123.94 1qbb s ASN 489 Ca 0.57 -1.78 0.01 0.00 0.42 0.00 0.00 52.86 52.07 1qbb s ASN 489 Cb -0.49 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1qbb s ASN 489 CO 0.59 -0.75 -0.02 0.28 -3.72 0.00 0.00 177.10 173.48 1qbb s THR 490 N 1.49 0.18 -0.17 -5.21 -1.32 -1.26 -0.50 115.64 108.85 1qbb s THR 490 Ca 0.04 -0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 1qbb s THR 490 Cb -0.27 -0.18 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 1qbb s THR 490 CO 0.02 0.07 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.53 1qbb s THR 491 N 0.15 3.32 0.80 5.08 2.01 -1.26 -3.69 115.64 122.04 1qbb s THR 491 Ca -0.01 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 1qbb s THR 491 Cb -0.03 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 70.09 1qbb s THR 491 CO -0.00 0.48 1.15 -0.94 -0.69 0.00 0.00 174.62 174.61 1qbb s SER 492 N 0.83 4.60 0.37 3.53 1.04 -0.14 -1.85 113.70 122.09 1qbb s SER 492 Ca -0.02 0.93 0.10 0.00 0.48 0.00 0.00 55.95 57.44 1qbb s SER 492 Cb -0.15 -1.52 0.87 0.00 0.10 0.00 0.00 66.02 65.32 1qbb s SER 492 CO 0.01 -1.86 1.89 0.58 0.98 0.00 0.00 173.24 174.85 1qbb h VAL 493 N -1.02 0.85 -0.58 5.02 2.07 -1.85 -0.27 116.25 120.46 1qbb h VAL 493 Ca -0.46 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1qbb h VAL 493 Cb 1.31 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1qbb h VAL 493 CO 0.64 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.35 1qbb n GLN 494 N -4.53 3.63 -2.96 1.57 3.00 -1.26 -4.95 117.38 111.89 1qbb n GLN 494 Ca 0.16 -2.63 -0.14 0.00 -0.01 0.00 0.00 57.00 54.38 1qbb n GLN 494 Cb 0.45 -1.89 0.04 0.00 0.00 0.00 0.00 30.24 28.84 1qbb n GLN 494 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1qbb n PHE 495 N 0.95 -1.49 -2.60 1.08 3.72 -0.11 -4.17 117.46 114.84 1qbb n PHE 495 Ca 0.24 0.48 -0.23 0.00 -0.05 0.00 0.00 57.45 57.89 1qbb n PHE 495 Cb 0.86 -3.30 0.04 0.00 -0.94 0.00 0.00 39.48 36.14 1qbb n PHE 495 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1qbb s PHE 496 N -3.07 2.98 0.00 1.38 0.08 -1.26 -1.21 117.98 116.88 1qbb s PHE 496 Ca 0.28 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.51 1qbb s PHE 496 Cb -0.12 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 1qbb s PHE 496 CO 0.34 -0.87 0.00 -1.71 -0.10 0.00 0.00 175.22 172.88 1qbb n ASN 497 N -2.43 0.00 0.13 1.36 2.85 -1.26 -0.97 115.26 114.95 1qbb n ASN 497 Ca 0.06 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.64 1qbb n ASN 497 Cb 0.59 0.00 0.50 0.00 1.24 0.00 0.00 39.78 42.12 1qbb n ASN 497 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1qbb n ARG 498 N 0.00 0.16 0.08 1.20 1.85 -1.24 -1.91 116.66 116.80 1qbb n ARG 498 Ca 0.00 0.49 0.09 0.00 -1.00 0.00 0.00 57.85 57.44 1qbb n ARG 498 Cb 0.00 -1.88 0.40 0.00 -1.05 0.00 0.00 32.46 29.94 1qbb n ARG 498 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1qbb n GLN 499 N -2.20 0.11 0.16 2.89 6.02 -1.26 -1.90 117.38 121.20 1qbb n GLN 499 Ca 0.01 0.38 0.13 0.00 -0.01 0.00 0.00 57.00 57.51 1qbb n GLN 499 Cb 0.16 -1.72 0.36 0.00 1.02 0.00 0.00 30.24 30.05 1qbb n GLN 499 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qbb h SER 500 N 0.00 0.00 -3.60 1.08 4.64 -1.71 -3.36 113.55 110.60 1qbb h SER 500 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1qbb h SER 500 Cb 0.28 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.09 1qbb h SER 500 CO 0.00 0.00 -0.55 -0.31 -0.87 0.00 0.00 176.83 175.10 1qbb s TYR 501 N -3.20 3.28 0.45 4.77 1.51 -0.80 -1.78 117.35 121.59 1qbb s TYR 501 Ca 0.08 -1.36 -0.24 0.00 -1.01 0.00 0.00 57.07 54.54 1qbb s TYR 501 Cb 0.09 -2.49 -0.08 0.00 -0.11 0.00 0.00 41.96 39.38 1qbb s TYR 501 CO 0.60 -0.74 1.32 -0.48 -1.11 0.00 0.00 175.55 175.14 1qbb s LEU 502 N 1.44 4.08 -0.32 -1.29 0.05 -0.07 -4.94 118.68 117.63 1qbb s LEU 502 Ca 0.00 2.69 -0.24 0.00 0.05 0.00 0.00 54.13 56.63 1qbb s LEU 502 Cb -0.20 -4.04 0.01 0.00 -2.05 0.00 0.00 46.19 39.90 1qbb s LEU 502 CO 0.03 -1.09 0.84 0.21 -0.55 0.00 0.00 176.35 175.79 1qbb s ASN 503 N -0.82 6.69 0.00 1.48 3.84 -0.97 -4.83 114.94 120.33 1qbb s ASN 503 Ca 0.62 0.68 0.26 0.00 0.21 0.00 0.00 52.86 54.62 1qbb s ASN 503 Cb -0.39 -2.43 1.14 0.00 -0.55 0.00 0.00 41.25 39.03 1qbb s ASN 503 CO 0.48 -0.69 1.83 -0.81 -2.79 0.00 0.00 177.10 175.13 1qbb n PRO 504 N 6.37 0.09 0.00 0.43 -0.04 -1.26 -3.60 135.00 136.99 1qbb n PRO 504 Ca 0.05 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1qbb n PRO 504 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1qbb n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qbb s LEU 506 N -2.74 4.43 0.37 0.00 1.43 -1.24 -4.84 118.68 116.09 1qbb s LEU 506 Ca 0.14 1.60 0.16 0.00 -1.03 0.00 0.00 54.13 55.00 1qbb s LEU 506 Cb 0.17 -3.59 0.71 0.00 0.03 0.00 0.00 46.19 43.51 1qbb s LEU 506 CO 0.70 0.07 1.78 0.44 0.23 0.00 0.00 176.35 179.57 1qbb h ASP 507 N 3.67 0.00 0.33 2.29 3.32 -1.93 -2.73 116.42 121.37 1qbb h ASP 507 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1qbb h ASP 507 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1qbb h ASP 507 CO 0.65 0.40 -0.32 0.77 -1.72 0.00 0.00 179.24 179.02 1qbb h SER 508 N 0.00 0.00 -0.40 6.45 4.64 -1.82 -2.37 113.55 120.05 1qbb h SER 508 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 1qbb h SER 508 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1qbb h SER 508 CO 0.05 0.32 -0.34 0.28 -0.87 0.00 0.00 176.83 176.27 1qbb h SER 509 N 0.00 1.00 -0.54 4.97 0.02 -1.61 -0.02 113.55 117.37 1qbb h SER 509 Ca -0.00 -0.45 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1qbb h SER 509 Cb 0.58 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1qbb h SER 509 CO 0.04 1.24 -0.02 1.56 -1.14 0.00 0.00 176.83 178.51 1qbb h GLN 510 N 0.77 0.96 -0.07 3.45 4.20 -1.49 -0.74 115.11 122.20 1qbb h GLN 510 Ca 0.07 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.47 1qbb h GLN 510 Cb 0.94 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1qbb h GLN 510 CO 0.09 0.98 0.00 0.00 -0.67 0.00 0.00 178.83 179.23 1qbb h ARG 511 N 0.84 0.02 -0.38 1.46 3.08 -1.28 0.11 114.38 118.23 1qbb h ARG 511 Ca 0.15 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1qbb h ARG 511 Cb 0.57 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1qbb h ARG 511 CO 0.03 0.02 0.15 0.35 -1.07 0.00 0.00 179.97 179.45 1qbb h PHE 512 N 0.03 0.27 -0.39 3.04 3.57 -0.76 -0.95 116.94 121.74 1qbb h PHE 512 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1qbb h PHE 512 Cb 0.03 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1qbb h PHE 512 CO -0.11 0.12 0.22 0.28 -2.23 0.00 0.00 178.31 176.59 1qbb h VAL 513 N 0.32 1.14 -0.79 1.41 2.07 -0.86 -1.88 116.25 117.66 1qbb h VAL 513 Ca 0.17 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1qbb h VAL 513 Cb 0.13 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1qbb h VAL 513 CO -0.16 0.15 0.42 -0.78 0.02 0.00 0.00 177.57 177.22 1qbb h ASP 514 N 0.50 1.00 -0.56 0.57 3.58 -0.63 -0.99 116.42 119.90 1qbb h ASP 514 Ca 0.14 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1qbb h ASP 514 Cb 0.04 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1qbb h ASP 514 CO -0.02 0.82 0.12 0.50 -2.88 0.00 0.00 179.24 177.78 1qbb h LYS 515 N 1.10 0.91 -0.23 0.28 1.63 -1.03 -1.29 116.57 117.94 1qbb h LYS 515 Ca 0.28 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.75 1qbb h LYS 515 Cb 0.06 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1qbb h LYS 515 CO -0.04 0.86 -0.25 0.28 -3.45 0.00 0.00 179.45 176.85 1qbb h VAL 516 N 0.81 1.32 -0.23 2.00 2.07 -1.01 -1.50 116.25 119.71 1qbb h VAL 516 Ca 0.18 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1qbb h VAL 516 Cb 0.37 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1qbb h VAL 516 CO 0.00 0.44 0.13 0.40 0.02 0.00 0.00 177.57 178.57 1qbb h ILE 517 N 0.27 1.03 -0.24 4.57 2.04 -1.19 -1.31 117.51 122.68 1qbb h ILE 517 Ca 0.03 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1qbb h ILE 517 Cb 0.81 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1qbb h ILE 517 CO 0.06 0.05 -0.15 1.23 0.00 0.00 0.00 178.15 179.35 1qbb h GLY 518 N 0.28 0.04 1.10 5.37 0.00 -1.18 0.05 103.07 108.73 1qbb h GLY 518 Ca 0.09 0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 1qbb h GLY 518 CO -0.04 -0.16 -0.08 0.83 0.00 0.00 0.00 176.54 177.10 1qbb h GLU 519 N -0.13 1.06 -0.22 4.80 4.39 -1.15 -2.59 114.58 120.74 1qbb h GLU 519 Ca 0.13 -0.38 -0.19 0.00 0.34 0.00 0.00 59.36 59.27 1qbb h GLU 519 Cb 0.33 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1qbb h GLU 519 CO -0.32 1.08 -0.60 0.82 -1.16 0.00 0.00 179.01 178.82 1qbb h ILE 520 N 0.94 1.30 -0.85 3.13 2.04 -0.94 -2.95 117.51 120.19 1qbb h ILE 520 Ca 0.15 -1.82 0.04 0.00 1.00 0.00 0.00 64.86 64.23 1qbb h ILE 520 Cb 0.65 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 1qbb h ILE 520 CO 0.04 0.58 0.56 0.00 0.00 0.00 0.00 178.15 179.33 1qbb h ALA 521 N 0.77 1.49 -0.49 1.87 0.00 -0.96 -2.03 119.26 119.90 1qbb h ALA 521 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1qbb h ALA 521 Cb 1.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1qbb h ALA 521 CO 0.12 0.43 -0.03 0.37 0.00 0.00 0.00 179.25 180.14 1qbb h GLN 522 N 1.04 0.89 -0.52 0.00 5.75 -1.43 -1.06 115.11 119.78 1qbb h GLN 522 Ca 0.34 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1qbb h GLN 522 Cb 0.05 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1qbb h GLN 522 CO -0.10 0.94 0.32 0.52 -2.65 0.00 0.00 178.83 177.86 1qbb h MET 523 N 0.75 0.71 -0.65 1.69 2.86 -1.29 -1.57 114.93 117.42 1qbb h MET 523 Ca 0.13 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1qbb h MET 523 Cb 0.56 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1qbb h MET 523 CO 0.03 0.51 0.20 0.45 1.06 0.00 0.00 176.91 179.17 1qbb h HIS 524 N 0.70 1.02 -0.53 -0.22 3.86 -1.12 -1.84 115.15 117.02 1qbb h HIS 524 Ca 0.19 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1qbb h HIS 524 Cb -0.02 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 1qbb h HIS 524 CO -0.03 0.82 0.18 0.87 0.86 0.00 0.00 177.93 180.63 1qbb h LYS 525 N 0.96 0.82 -0.50 2.45 1.57 -0.75 -1.95 116.57 119.18 1qbb h LYS 525 Ca 0.21 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1qbb h LYS 525 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1qbb h LYS 525 CO -0.01 0.75 0.08 0.93 -0.57 0.00 0.00 179.45 180.63 1qbb h GLU 526 N 0.73 0.78 0.00 3.15 5.08 -1.20 -2.55 114.58 120.57 1qbb h GLU 526 Ca 0.17 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qbb h GLU 526 Cb 0.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qbb h GLU 526 CO -0.01 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1qbb n ALA 527 N -2.47 1.99 -1.05 3.43 0.00 -0.70 -4.93 120.51 116.78 1qbb n ALA 527 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1qbb n ALA 527 Cb 0.24 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1qbb n ALA 527 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qbb n GLY 528 N 0.69 0.52 2.41 0.00 0.00 -0.96 -4.52 105.19 103.32 1qbb n GLY 528 Ca 0.04 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 1qbb n GLY 528 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qbb n GLN 529 N -2.37 0.82 -1.62 1.61 7.27 -0.77 -5.03 117.38 117.29 1qbb n GLN 529 Ca 0.00 -3.53 -0.45 0.00 0.07 0.00 0.00 57.00 53.09 1qbb n GLN 529 Cb 0.11 -1.68 -0.02 0.00 2.41 0.00 0.00 30.24 31.06 1qbb n GLN 529 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1qbb n PRO 530 N 2.07 1.55 -1.70 3.69 -0.02 -1.24 -4.54 135.00 134.81 1qbb n PRO 530 Ca 0.26 0.55 -0.44 0.00 -2.02 0.00 0.00 63.50 61.85 1qbb n PRO 530 Cb 0.47 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1qbb n PRO 530 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1qbb n ILE 531 N 0.84 0.35 -0.06 4.25 5.41 -1.26 -4.90 119.36 123.99 1qbb n ILE 531 Ca 0.10 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.72 1qbb n ILE 531 Cb 0.31 -1.77 -0.12 0.00 -0.71 0.00 0.00 39.64 37.35 1qbb n ILE 531 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1qbb n LYS 532 N 3.14 1.41 -3.98 0.38 5.02 -1.26 -4.71 118.16 118.15 1qbb n LYS 532 Ca 0.14 -0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 1qbb n LYS 532 Cb 0.33 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.80 1qbb n LYS 532 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qbb s THR 533 N -2.49 0.33 -0.21 -0.18 2.01 -1.26 -3.47 115.64 110.37 1qbb s THR 533 Ca -0.07 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1qbb s THR 533 Cb 0.05 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1qbb s THR 533 CO 0.60 0.19 0.26 0.86 -0.69 0.00 0.00 174.62 175.84 1qbb s TRP 534 N 1.15 3.37 -0.36 4.92 -0.11 -0.87 -4.34 118.94 122.70 1qbb s TRP 534 Ca -0.08 0.43 -0.13 0.00 1.22 0.00 0.00 56.10 57.53 1qbb s TRP 534 Cb -0.14 -2.35 -0.00 0.00 -1.50 0.00 0.00 33.47 29.48 1qbb s TRP 534 CO -0.02 0.10 0.26 -1.58 -4.62 0.00 0.00 176.95 171.09 1qbb s HIS 535 N 0.96 3.23 -0.14 5.86 5.65 -0.65 -1.20 115.29 129.00 1qbb s HIS 535 Ca 0.13 -0.35 0.26 0.00 0.25 0.00 0.00 55.06 55.34 1qbb s HIS 535 Cb -0.13 -2.51 0.75 0.00 -1.18 0.00 0.00 32.58 29.50 1qbb s HIS 535 CO 0.05 -0.44 1.75 0.35 -0.65 0.00 0.00 174.74 175.80 1qbb h PHE 536 N 8.53 0.00 0.00 3.88 3.57 -1.36 -3.02 116.94 128.55 1qbb h PHE 536 Ca -0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1qbb h PHE 536 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1qbb h PHE 536 CO 0.62 0.09 0.00 0.41 -2.23 0.00 0.00 178.31 177.20 1qbb n GLY 537 N 0.60 1.77 0.40 2.40 0.00 -1.26 -2.74 105.19 106.36 1qbb n GLY 537 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1qbb n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbb n GLY 538 N 0.00 0.55 3.78 -0.02 0.00 -0.69 -0.27 105.19 108.53 1qbb n GLY 538 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qbb n GLY 538 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qbb s ASP 539 N -2.92 6.92 -1.46 1.61 -4.77 -1.26 -2.28 116.67 112.51 1qbb s ASP 539 Ca 0.00 2.01 -0.11 0.00 -3.30 0.00 0.00 52.55 51.15 1qbb s ASP 539 Cb 0.00 -2.59 0.06 0.00 -1.09 0.00 0.00 42.92 39.30 1qbb s ASP 539 CO 0.00 -0.37 0.99 -0.62 0.70 0.00 0.00 175.17 175.86 1qbb n GLU 540 N 0.15 -5.95 -2.80 2.11 1.02 -1.26 -4.61 120.64 109.31 1qbb n GLU 540 Ca 0.04 0.65 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 1qbb n GLU 540 Cb 0.49 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 1qbb n GLU 540 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qbb n ALA 541 N -4.68 4.57 -3.42 0.62 0.00 -1.26 -4.74 120.51 111.60 1qbb n ALA 541 Ca -0.02 -4.38 -0.09 0.00 0.00 0.00 0.00 53.44 48.95 1qbb n ALA 541 Cb 0.56 -2.88 -0.04 0.00 0.00 0.00 0.00 19.45 17.09 1qbb n ALA 541 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qbb s LYS 542 N 0.34 1.55 -0.36 0.00 -2.85 -1.26 -4.96 119.74 112.21 1qbb s LYS 542 Ca 0.39 -1.03 -0.13 0.00 -1.00 0.00 0.00 55.97 54.20 1qbb s LYS 542 Cb 0.01 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1qbb s LYS 542 CO 0.00 -0.67 0.26 1.21 0.10 0.00 0.00 175.35 176.25 1qbb s ASN 543 N -2.93 6.08 0.57 0.03 3.84 -1.26 -4.58 114.94 116.69 1qbb s ASN 543 Ca 0.14 -0.53 0.37 0.00 0.21 0.00 0.00 52.86 53.05 1qbb s ASN 543 Cb -0.02 -2.15 1.77 0.00 -0.55 0.00 0.00 41.25 40.30 1qbb s ASN 543 CO 0.04 -0.29 2.11 0.16 -2.79 0.00 0.00 177.10 176.33 1qbb h ILE 544 N 5.53 0.00 0.00 -5.21 3.07 -1.67 -2.69 117.51 116.54 1qbb h ILE 544 Ca -0.30 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1qbb h ILE 544 Cb 1.15 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1qbb h ILE 544 CO 0.66 0.00 0.00 0.03 -1.05 0.00 0.00 178.15 177.79 1qbb h ARG 545 N 0.00 0.00 -0.39 0.16 2.47 -1.94 -1.72 114.38 112.95 1qbb h ARG 545 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qbb h ARG 545 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1qbb h ARG 545 CO 0.00 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.81 1qbb n LEU 546 N -2.55 2.89 -4.77 3.04 4.77 -1.01 -4.83 117.00 114.54 1qbb n LEU 546 Ca 0.02 -1.30 -0.29 0.00 -0.03 0.00 0.00 56.01 54.41 1qbb n LEU 546 Cb 0.29 -0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1qbb n LEU 546 CO 0.24 0.65 0.71 -0.83 -1.33 0.00 0.00 177.39 176.84 1qbb s GLY 547 N -1.36 1.60 0.51 -0.72 0.00 -0.65 -4.96 107.32 101.74 1qbb s GLY 547 Ca 0.37 -0.65 0.27 0.00 0.00 0.00 0.00 44.72 44.71 1qbb s GLY 547 CO 0.29 -0.02 2.04 0.00 0.00 0.00 0.00 173.10 175.41 1qbb h ALA 548 N -1.71 1.27 -0.01 3.20 0.00 -1.93 -2.85 119.26 117.23 1qbb h ALA 548 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1qbb h ALA 548 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qbb h ALA 548 CO 0.55 0.17 -0.18 0.41 0.00 0.00 0.00 179.25 180.20 1qbb n GLY 549 N -0.61 -0.82 3.78 0.00 0.00 -1.26 -4.81 105.19 101.47 1qbb n GLY 549 Ca -0.02 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1qbb n GLY 549 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbb s TYR 550 N -2.51 3.12 0.09 1.61 2.02 -1.08 -0.88 117.35 119.73 1qbb s TYR 550 Ca 0.26 -0.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1qbb s TYR 550 Cb 0.20 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1qbb s TYR 550 CO 0.50 0.52 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.90 1qbb s THR 551 N -1.70 0.37 0.05 -0.71 -1.32 0.14 -4.79 115.64 107.68 1qbb s THR 551 Ca 0.30 -1.88 -0.19 0.00 -1.21 0.00 0.00 61.69 58.71 1qbb s THR 551 Cb -0.10 -1.71 -0.06 0.00 -1.51 0.00 0.00 72.50 69.11 1qbb s THR 551 CO 0.23 -0.82 0.56 -0.62 -2.21 0.00 0.00 174.62 171.76 1qbb s ASP 552 N -3.00 7.03 0.62 8.08 2.15 -1.26 -1.18 116.67 129.11 1qbb s ASP 552 Ca 0.13 1.22 0.26 0.00 0.43 0.00 0.00 52.55 54.59 1qbb s ASP 552 Cb 0.07 -2.35 1.30 0.00 -0.30 0.00 0.00 42.92 41.64 1qbb s ASP 552 CO -0.05 0.24 1.73 0.50 -0.17 0.00 0.00 175.17 177.42 1qbb h LYS 553 N 4.79 0.00 0.01 4.34 3.64 -1.71 -2.55 116.57 125.10 1qbb h LYS 553 Ca -0.49 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.59 1qbb h LYS 553 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1qbb h LYS 553 CO 0.65 0.00 -1.80 0.00 -2.27 0.00 0.00 179.45 176.03 1qbb n ALA 554 N -2.14 1.43 -3.06 5.00 0.00 -1.26 -4.59 120.51 115.89 1qbb n ALA 554 Ca 0.07 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.54 1qbb n ALA 554 Cb 0.76 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 1qbb n ALA 554 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qbb n LYS 555 N -3.07 0.81 -1.82 0.00 4.81 -1.01 -5.11 118.16 112.78 1qbb n LYS 555 Ca -0.20 -2.84 -0.42 0.00 -0.87 0.00 0.00 58.31 53.98 1qbb n LYS 555 Cb 1.06 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 34.73 1qbb n LYS 555 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1qbb s PRO 556 N -0.94 3.91 0.33 1.64 0.04 -1.00 -4.53 135.00 134.46 1qbb s PRO 556 Ca 0.34 2.24 -0.26 0.00 0.04 0.00 0.00 61.00 63.36 1qbb s PRO 556 Cb 0.23 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.54 1qbb s PRO 556 CO -0.13 -1.19 1.00 -1.21 0.04 0.00 0.00 177.00 175.51 1qbb s GLU 557 N 4.73 4.48 0.68 4.56 2.02 -1.26 -5.01 118.70 128.90 1qbb s GLU 557 Ca 0.84 1.48 -0.17 0.00 0.02 0.00 0.00 54.97 57.14 1qbb s GLU 557 Cb -0.36 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.06 1qbb s GLU 557 CO 0.35 0.15 1.25 -2.14 0.02 0.00 0.00 175.26 174.90 1qbb s PRO 558 N -2.02 2.40 -0.99 0.39 0.02 -1.26 -3.74 135.00 129.81 1qbb s PRO 558 Ca 0.51 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1qbb s PRO 558 Cb -0.23 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1qbb s PRO 558 CO 0.29 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 1qbb n GLY 559 N 0.65 0.97 3.18 0.52 0.00 -1.26 -5.01 105.19 104.24 1qbb n GLY 559 Ca 0.15 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1qbb n GLY 559 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbb s LYS 560 N -3.02 0.86 -0.16 1.61 1.02 -1.25 -3.44 119.74 115.37 1qbb s LYS 560 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 1qbb s LYS 560 Cb 0.00 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.67 1qbb s LYS 560 CO 0.00 0.11 1.51 0.20 -0.92 0.00 0.00 175.35 176.24 1qbb s GLY 561 N -2.35 1.44 -0.42 -3.33 0.00 -0.05 -4.43 107.32 98.17 1qbb s GLY 561 Ca 0.05 0.58 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 1qbb s GLY 561 CO 0.01 2.85 1.04 -0.42 0.00 0.00 0.00 173.10 176.58 1qbb s ILE 562 N 4.33 4.39 0.19 0.90 1.01 -0.39 0.25 121.20 131.88 1qbb s ILE 562 Ca 0.66 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.56 1qbb s ILE 562 Cb -0.26 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.68 1qbb s ILE 562 CO 0.25 -0.78 0.02 0.27 0.00 0.00 0.00 174.94 174.70 1qbb s ILE 563 N 3.97 0.63 -0.74 2.92 -4.36 -0.32 -3.65 121.20 119.64 1qbb s ILE 563 Ca 0.43 -1.98 -0.24 0.00 -0.26 0.00 0.00 60.65 58.60 1qbb s ILE 563 Cb -0.10 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.46 1qbb s ILE 563 CO 0.25 -0.39 1.15 -0.62 0.24 0.00 0.00 174.94 175.56 1qbb s ASP 564 N -3.19 6.22 0.00 4.36 2.15 -1.26 -1.81 116.67 123.14 1qbb s ASP 564 Ca 0.26 -0.86 0.29 0.00 0.43 0.00 0.00 52.55 52.68 1qbb s ASP 564 Cb 0.06 -2.49 1.23 0.00 -0.30 0.00 0.00 42.92 41.42 1qbb s ASP 564 CO 0.06 -1.60 1.84 0.00 -0.17 0.00 0.00 175.17 175.30 1qbb n GLN 565 N 8.45 1.43 0.13 4.34 6.02 -1.26 -4.19 117.38 132.29 1qbb n GLN 565 Ca 0.03 -0.69 0.12 0.00 -0.01 0.00 0.00 57.00 56.45 1qbb n GLN 565 Cb 0.48 -1.49 0.23 0.00 1.02 0.00 0.00 30.24 30.48 1qbb n GLN 565 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1qbb h GLY 566 N 4.90 0.00 -2.09 1.08 0.00 -2.00 -3.12 103.07 101.84 1qbb h GLY 566 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qbb h GLY 566 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1qbb n ASN 567 N -2.51 4.03 -4.69 0.19 2.04 -1.26 -4.98 115.26 108.09 1qbb n ASN 567 Ca 0.04 -2.57 -0.38 0.00 -0.44 0.00 0.00 54.58 51.23 1qbb n ASN 567 Cb 0.47 -0.48 -0.07 0.00 -2.53 0.00 0.00 39.78 37.18 1qbb n ASN 567 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1qbb s GLU 568 N -2.04 4.24 0.21 -3.83 0.41 -1.18 -4.68 118.70 111.82 1qbb s GLU 568 Ca 0.41 0.34 0.08 0.00 -0.41 0.00 0.00 54.97 55.39 1qbb s GLU 568 Cb 0.28 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 1qbb s GLU 568 CO 0.16 0.00 0.03 -0.51 -0.49 0.00 0.00 175.26 174.45 1qbb s ASP 569 N 0.91 4.83 0.45 -0.19 1.01 0.34 -5.01 116.67 119.03 1qbb s ASP 569 Ca 0.23 -0.43 -0.22 0.00 0.71 0.00 0.00 52.55 52.83 1qbb s ASP 569 Cb -0.15 -1.04 -0.08 0.00 1.01 0.00 0.00 42.92 42.67 1qbb s ASP 569 CO 0.09 0.05 1.09 -0.54 0.21 0.00 0.00 175.17 176.07 1qbb s LYS 570 N -3.23 3.86 0.20 8.23 1.02 -1.26 -4.44 119.74 124.13 1qbb s LYS 570 Ca 0.29 1.57 -0.31 0.00 0.02 0.00 0.00 55.97 57.54 1qbb s LYS 570 Cb -0.08 -2.34 -0.16 0.00 -0.52 0.00 0.00 37.83 34.73 1qbb s LYS 570 CO 0.20 -0.41 1.02 -2.30 -0.92 0.00 0.00 175.35 172.93 1qbb n PRO 571 N -0.54 0.98 -0.87 -1.68 -0.02 -1.26 -2.08 135.00 129.52 1qbb n PRO 571 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1qbb n PRO 571 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1qbb n PRO 571 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1qbb n TRP 572 N 0.90 0.00 -0.31 6.00 8.01 -1.26 -4.89 117.44 125.89 1qbb n TRP 572 Ca 0.14 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.41 1qbb n TRP 572 Cb 0.26 -0.55 0.24 0.00 -2.01 0.00 0.00 31.31 29.25 1qbb n TRP 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qbb h ALA 573 N 0.00 1.36 -0.60 6.99 0.00 -1.79 -1.04 119.26 124.18 1qbb h ALA 573 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qbb h ALA 573 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qbb h ALA 573 CO 0.00 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.82 1qbb n LYS 574 N -4.84 3.54 -2.82 0.00 4.76 -1.26 -4.88 118.16 112.66 1qbb n LYS 574 Ca 0.18 -2.63 -0.42 0.00 -2.87 0.00 0.00 58.31 52.57 1qbb n LYS 574 Cb 0.45 -1.86 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1qbb n LYS 574 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qbb s SER 575 N -0.85 6.98 0.20 4.39 0.15 -0.40 -3.99 113.70 120.19 1qbb s SER 575 Ca 0.47 1.21 -0.11 0.00 0.70 0.00 0.00 55.95 58.23 1qbb s SER 575 Cb 0.30 -2.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.29 1qbb s SER 575 CO 0.22 -0.50 1.87 -0.61 1.20 0.00 0.00 173.24 175.42 1qbb h GLN 576 N 7.44 0.92 -0.57 5.44 4.15 -1.87 -1.71 115.11 128.90 1qbb h GLN 576 Ca -0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 1qbb h GLN 576 Cb 1.11 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 1qbb h GLN 576 CO 0.88 0.61 0.33 0.28 -1.93 0.00 0.00 178.83 178.99 1qbb h VAL 577 N 0.94 1.18 -0.54 2.39 2.07 -1.95 -1.69 116.25 118.66 1qbb h VAL 577 Ca 0.27 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1qbb h VAL 577 Cb -0.08 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1qbb h VAL 577 CO -0.07 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.68 1qbb h GLN 579 N 0.86 0.36 0.00 0.00 4.20 -1.11 -1.89 115.11 117.53 1qbb h GLN 579 Ca 0.15 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1qbb h GLN 579 Cb 0.56 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1qbb h GLN 579 CO 0.03 0.23 -0.15 1.79 -0.67 0.00 0.00 178.83 180.06 1qbb h THR 580 N 0.37 0.56 -0.29 -0.54 1.35 -1.14 -1.64 112.91 111.58 1qbb h THR 580 Ca 0.12 -0.72 -0.16 0.00 -0.55 0.00 0.00 66.41 65.10 1qbb h THR 580 Cb -0.01 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1qbb h THR 580 CO -0.05 0.15 -0.46 -0.03 -0.25 0.00 0.00 175.52 174.87 1qbb h MET 581 N 0.00 0.75 -0.38 4.72 1.85 -1.08 -2.27 114.93 118.52 1qbb h MET 581 Ca -0.00 -0.43 -0.16 0.00 -0.61 0.00 0.00 59.70 58.50 1qbb h MET 581 Cb 0.46 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 1qbb h MET 581 CO 0.02 1.06 -0.38 0.82 -0.40 0.00 0.00 176.91 178.02 1qbb h ILE 582 N 0.60 1.27 -0.03 1.77 2.04 -0.54 -2.68 117.51 119.94 1qbb h ILE 582 Ca 0.03 -1.56 -0.15 0.00 1.00 0.00 0.00 64.86 64.19 1qbb h ILE 582 Cb 1.03 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1qbb h ILE 582 CO 0.10 0.52 -0.66 0.11 0.00 0.00 0.00 178.15 178.22 1qbb h LYS 583 N 0.75 0.15 0.00 2.37 1.57 -1.24 -2.78 116.57 117.38 1qbb h LYS 583 Ca 0.06 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1qbb h LYS 583 Cb 0.97 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1qbb h LYS 583 CO 0.09 0.75 0.00 -0.85 -0.57 0.00 0.00 179.45 178.87 1qbb n GLU 584 N -3.81 0.80 -0.98 3.15 0.28 -0.86 -4.88 120.64 114.34 1qbb n GLU 584 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1qbb n GLU 584 Cb 0.65 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1qbb n GLU 584 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qbb n GLY 585 N 0.49 0.45 0.36 -1.84 0.00 -1.05 -4.95 105.19 98.65 1qbb n GLY 585 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1qbb n GLY 585 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qbb h LYS 586 N 1.02 1.25 -4.94 1.61 3.64 -1.68 -3.44 116.57 114.04 1qbb h LYS 586 Ca 0.00 -0.15 -0.33 0.00 -1.27 0.00 0.00 60.65 58.90 1qbb h LYS 586 Cb 0.19 -0.24 -0.20 0.00 -0.41 0.00 0.00 32.23 31.57 1qbb h LYS 586 CO 0.00 0.92 -0.74 0.08 -2.27 0.00 0.00 179.45 177.44 1qbb s VAL 587 N -5.81 0.86 -0.01 2.00 1.01 -1.25 -5.06 120.40 112.15 1qbb s VAL 587 Ca -0.13 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 1qbb s VAL 587 Cb 0.17 -1.06 -0.28 0.00 0.00 0.00 0.00 36.38 35.21 1qbb s VAL 587 CO 0.83 -0.42 1.02 0.00 0.00 0.00 0.00 175.10 176.53 1qbb h ALA 588 N 4.03 -0.02 -2.90 5.51 0.00 -1.88 -3.40 119.26 120.60 1qbb h ALA 588 Ca -0.38 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 53.78 1qbb h ALA 588 Cb 1.19 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1qbb h ALA 588 CO 0.46 0.44 -0.02 0.16 0.00 0.00 0.00 179.25 180.29 1qbb s ASP 589 N -7.00 0.11 0.41 0.00 1.47 -1.26 -5.03 116.67 105.38 1qbb s ASP 589 Ca -0.12 -1.04 0.11 0.00 1.18 0.00 0.00 52.55 52.67 1qbb s ASP 589 Cb 0.03 0.67 0.86 0.00 -0.34 0.00 0.00 42.92 44.13 1qbb s ASP 589 CO 0.85 -1.30 1.95 0.24 0.68 0.00 0.00 175.17 177.60 1qbb h MET 590 N 2.15 0.20 -0.44 2.11 2.86 -1.94 -2.81 114.93 117.06 1qbb h MET 590 Ca -0.27 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 1qbb h MET 590 Cb 1.25 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1qbb h MET 590 CO 0.35 0.32 0.08 0.93 1.06 0.00 0.00 176.91 179.65 1qbb h GLU 591 N 0.19 0.67 0.00 1.72 4.39 -1.96 -2.39 114.58 117.20 1qbb h GLU 591 Ca 0.04 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1qbb h GLU 591 Cb 0.31 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1qbb h GLU 591 CO 0.02 0.63 0.00 0.72 -1.16 0.00 0.00 179.01 179.22 1qbb n HIS 592 N -4.29 0.00 -0.09 4.33 8.25 -1.06 -4.34 115.22 118.02 1qbb n HIS 592 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.42 1qbb n HIS 592 Cb 0.22 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.21 1qbb n HIS 592 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qbb h LEU 593 N 0.00 0.13 -0.32 2.41 3.38 -1.53 -1.75 115.31 117.64 1qbb h LEU 593 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1qbb h LEU 593 Cb 0.12 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1qbb h LEU 593 CO 0.00 0.11 0.09 -0.65 0.09 0.00 0.00 178.44 178.08 1qbb h PRO 594 N 0.26 0.20 -0.57 1.13 0.11 -1.81 0.12 132.00 131.44 1qbb h PRO 594 Ca 0.15 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 1qbb h PRO 594 Cb 0.12 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1qbb h PRO 594 CO -0.15 0.14 0.03 0.77 -0.21 0.00 0.00 178.00 178.58 1qbb h SER 595 N 0.21 0.96 -0.63 -2.05 0.02 -1.43 -1.66 113.55 108.97 1qbb h SER 595 Ca 0.15 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1qbb h SER 595 Cb 0.14 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1qbb h SER 595 CO -0.17 1.01 0.41 0.22 -1.14 0.00 0.00 176.83 177.16 1qbb h TYR 596 N 0.88 0.77 -0.48 3.45 3.20 -1.13 -2.30 116.97 121.36 1qbb h TYR 596 Ca 0.17 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1qbb h TYR 596 Cb 0.50 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1qbb h TYR 596 CO 0.04 0.47 -0.02 0.35 -1.64 0.00 0.00 178.16 177.35 1qbb h PHE 597 N 0.82 0.87 -0.48 -3.82 3.57 -0.66 -2.26 116.94 114.97 1qbb h PHE 597 Ca 0.24 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1qbb h PHE 597 Cb -0.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1qbb h PHE 597 CO -0.04 0.81 0.28 0.78 -2.23 0.00 0.00 178.31 177.91 1qbb h GLY 598 N 0.98 0.67 1.01 2.40 0.00 -1.04 0.03 103.07 107.11 1qbb h GLY 598 Ca 0.14 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1qbb h GLY 598 CO 0.02 0.19 0.58 1.46 0.00 0.00 0.00 176.54 178.79 1qbb h GLN 599 N 0.57 1.17 -0.30 4.80 4.20 -1.26 -1.05 115.11 123.25 1qbb h GLN 599 Ca 0.19 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1qbb h GLN 599 Cb 0.01 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 1qbb h GLN 599 CO -0.08 0.78 -0.32 0.93 -0.67 0.00 0.00 178.83 179.47 1qbb h GLU 600 N 1.20 0.75 -0.25 1.46 4.39 -1.11 -3.04 114.58 117.97 1qbb h GLU 600 Ca 0.32 -0.40 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1qbb h GLU 600 Cb -0.12 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1qbb h GLU 600 CO -0.07 1.03 -0.24 0.28 -1.16 0.00 0.00 179.01 178.84 1qbb h VAL 601 N 0.50 1.26 -0.03 3.13 2.07 -0.91 -2.61 116.25 119.67 1qbb h VAL 601 Ca 0.05 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1qbb h VAL 601 Cb 0.90 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1qbb h VAL 601 CO 0.08 0.40 0.02 0.77 0.02 0.00 0.00 177.57 178.86 1qbb h SER 602 N 0.42 0.03 0.22 0.57 4.64 -1.08 0.40 113.55 118.74 1qbb h SER 602 Ca 0.06 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 1qbb h SER 602 Cb 0.65 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1qbb h SER 602 CO 0.05 0.02 -0.53 0.11 -0.87 0.00 0.00 176.83 175.60 1qbb h LYS 603 N 0.03 0.34 -0.16 4.77 1.57 -1.39 -0.03 116.57 121.71 1qbb h LYS 603 Ca 0.01 -0.21 -0.20 0.00 -1.87 0.00 0.00 60.65 58.38 1qbb h LYS 603 Cb 0.02 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1qbb h LYS 603 CO -0.00 0.79 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.88 1qbb h LEU 604 N 0.27 0.82 -0.26 2.94 3.38 -1.18 -1.82 115.31 119.46 1qbb h LEU 604 Ca 0.01 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1qbb h LEU 604 Cb 1.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1qbb h LEU 604 CO 0.09 1.29 -0.01 0.58 0.09 0.00 0.00 178.44 180.48 1qbb h VAL 605 N 0.49 1.26 -0.69 1.22 2.07 -0.75 -2.87 116.25 116.97 1qbb h VAL 605 Ca -0.03 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1qbb h VAL 605 Cb 1.32 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1qbb h VAL 605 CO 0.14 0.29 0.38 0.50 0.02 0.00 0.00 177.57 178.91 1qbb h LYS 606 N 0.24 0.96 0.00 1.57 1.63 -0.98 -1.93 116.57 118.04 1qbb h LYS 606 Ca 0.07 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1qbb h LYS 606 Cb 0.43 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1qbb h LYS 606 CO 0.01 0.70 -0.06 0.00 -3.45 0.00 0.00 179.45 176.65 1qbb h ALA 607 N 1.46 1.22 -0.46 5.00 0.00 -1.21 -0.94 119.26 124.32 1qbb h ALA 607 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qbb h ALA 607 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1qbb h ALA 607 CO -0.04 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.01 1qbb n HIS 608 N -3.48 0.76 -0.69 0.00 8.25 -0.76 -4.92 115.22 114.37 1qbb n HIS 608 Ca -0.02 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 1qbb n HIS 608 Cb 0.19 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1qbb n HIS 608 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qbb n GLY 609 N 1.11 0.60 3.44 -1.41 0.00 -0.36 -5.04 105.19 103.53 1qbb n GLY 609 Ca 0.16 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1qbb n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qbb s ILE 610 N -2.00 4.00 -0.27 -0.61 1.01 -0.99 -4.98 121.20 117.36 1qbb s ILE 610 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 60.65 60.51 1qbb s ILE 610 Cb 0.00 -2.82 0.64 0.00 0.01 0.00 0.00 42.46 40.28 1qbb s ILE 610 CO 0.00 0.41 1.54 -0.67 0.00 0.00 0.00 174.94 176.23 1qbb n ASP 611 N 4.38 4.56 -3.73 3.58 2.03 -1.26 -3.32 116.55 122.79 1qbb n ASP 611 Ca -0.17 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.09 1qbb n ASP 611 Cb 0.52 -0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 1qbb n ASP 611 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1qbb s ARG 612 N -2.71 0.28 0.11 -0.67 3.52 -1.23 -2.72 118.95 115.53 1qbb s ARG 612 Ca 0.46 0.58 0.11 0.00 -0.13 0.00 0.00 55.73 56.75 1qbb s ARG 612 Cb 0.36 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1qbb s ARG 612 CO 0.12 -0.14 -0.27 1.41 -0.81 0.00 0.00 175.30 175.61 1qbb s MET 613 N 1.12 1.49 0.05 5.12 -2.45 -0.96 -2.05 119.30 121.63 1qbb s MET 613 Ca -0.08 -1.30 0.05 0.00 -1.25 0.00 0.00 55.69 53.12 1qbb s MET 613 Cb -0.08 -1.92 -0.02 0.00 1.25 0.00 0.00 34.83 34.05 1qbb s MET 613 CO -0.08 0.46 -0.14 -1.14 1.05 0.00 0.00 175.02 175.17 1qbb s GLN 614 N -1.87 0.90 0.08 4.11 0.74 -0.34 -0.73 119.66 122.55 1qbb s GLN 614 Ca 0.13 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.59 1qbb s GLN 614 Cb -0.10 -0.91 0.01 0.00 1.10 0.00 0.00 33.01 33.11 1qbb s GLN 614 CO 0.05 0.22 0.27 0.00 -0.55 0.00 0.00 175.29 175.28 1qbb s ALA 615 N -1.00 -0.52 0.15 1.58 0.00 -0.75 -1.02 121.76 120.19 1qbb s ALA 615 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 1qbb s ALA 615 Cb -0.09 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 23.43 1qbb s ALA 615 CO 0.02 -0.51 1.40 -1.58 0.00 0.00 0.00 175.76 175.09 1qbb s TRP 616 N -3.41 3.21 0.40 0.00 0.52 0.62 -0.27 118.94 120.01 1qbb s TRP 616 Ca 0.01 0.97 0.07 0.00 0.02 0.00 0.00 56.10 57.18 1qbb s TRP 616 Cb 0.02 -3.71 0.84 0.00 -1.15 0.00 0.00 33.47 29.48 1qbb s TRP 616 CO -0.09 -2.43 2.03 -0.56 0.02 0.00 0.00 176.95 175.92 1qbb h GLN 617 N 6.37 0.58 0.00 4.98 -0.00 -1.79 -2.51 115.11 122.74 1qbb h GLN 617 Ca -0.43 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.17 1qbb h GLN 617 Cb 1.21 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 28.56 1qbb h GLN 617 CO 0.84 0.38 -0.07 0.38 -0.00 0.00 0.00 178.83 180.37 1qbb h ASP 618 N 0.60 0.00 0.98 0.06 2.03 -1.88 -1.98 116.42 116.23 1qbb h ASP 618 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1qbb h ASP 618 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1qbb h ASP 618 CO -0.05 0.07 0.00 1.23 -1.03 0.00 0.00 179.24 179.46 1qbb h GLY 619 N 0.29 0.00 -1.31 7.15 0.00 -1.01 -3.16 103.07 105.02 1qbb h GLY 619 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qbb h GLY 619 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 1qbb n LEU 620 N -2.66 2.95 0.28 3.11 4.77 -0.75 -2.57 117.00 122.11 1qbb n LEU 620 Ca 0.02 -1.99 0.13 0.00 -0.03 0.00 0.00 56.01 54.14 1qbb n LEU 620 Cb 0.29 -0.24 0.80 0.00 -2.33 0.00 0.00 43.42 41.94 1qbb n LEU 620 CO 0.25 0.73 1.05 0.07 -1.33 0.00 0.00 177.39 178.16 1qbb h LYS 621 N 2.10 0.00 -0.02 3.23 2.10 -1.50 -2.70 116.57 119.78 1qbb h LYS 621 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qbb h LYS 621 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1qbb h LYS 621 CO 0.00 0.06 -0.25 -0.25 -2.00 0.00 0.00 179.45 177.00 1qbb n ASP 622 N -3.87 1.79 -4.77 7.07 8.00 -1.26 -4.91 116.55 118.60 1qbb n ASP 622 Ca -0.03 -1.40 -0.40 0.00 0.71 0.00 0.00 54.79 53.68 1qbb n ASP 622 Cb 0.15 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1qbb n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qbb s ALA 623 N -2.33 3.35 0.10 2.24 0.00 -1.02 -4.95 121.76 119.15 1qbb s ALA 623 Ca 0.25 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 1qbb s ALA 623 Cb 0.19 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 1qbb s ALA 623 CO 0.47 -0.54 1.70 1.49 0.00 0.00 0.00 175.76 178.88 1qbb h GLU 624 N 3.16 -0.20 0.00 0.00 4.22 -1.90 -3.48 114.58 116.37 1qbb h GLU 624 Ca -0.49 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.11 1qbb h GLU 624 Cb 1.23 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1qbb h GLU 624 CO 0.64 -0.14 0.52 -1.13 -2.18 0.00 0.00 179.01 176.72 1qbb n SER 625 N -5.22 -1.46 0.30 1.04 3.41 -1.26 -5.00 113.62 105.44 1qbb n SER 625 Ca -0.07 -1.75 0.19 0.00 -0.26 0.00 0.00 58.87 56.98 1qbb n SER 625 Cb 0.14 2.37 1.00 0.00 -0.26 0.00 0.00 64.21 67.46 1qbb n SER 625 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qbb h SER 626 N 1.68 0.00 0.51 4.04 4.64 -1.69 -1.65 113.55 121.08 1qbb h SER 626 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1qbb h SER 626 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1qbb h SER 626 CO 0.31 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.38 1qbb h LYS 627 N 0.00 0.00 0.00 4.77 1.57 -1.95 -2.45 116.57 118.52 1qbb h LYS 627 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1qbb h LYS 627 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1qbb h LYS 627 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1qbb n ALA 628 N -2.01 2.11 -2.76 3.86 0.00 -0.62 -4.82 120.51 116.28 1qbb n ALA 628 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1qbb n ALA 628 Cb 0.18 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1qbb n ALA 628 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qbb s PHE 629 N -2.69 3.12 0.01 0.00 0.40 -0.92 -4.86 117.98 113.04 1qbb s PHE 629 Ca 0.18 0.02 0.14 0.00 -0.60 0.00 0.00 56.93 56.68 1qbb s PHE 629 Cb 0.15 -1.57 0.22 0.00 0.51 0.00 0.00 43.02 42.33 1qbb s PHE 629 CO 0.36 0.51 1.51 0.00 0.70 0.00 0.00 175.22 178.30 1qbb h ALA 630 N 3.11 0.72 -2.14 5.36 0.00 -1.84 -3.45 119.26 121.03 1qbb h ALA 630 Ca -0.47 -0.51 -0.45 0.00 0.00 0.00 0.00 54.91 53.48 1qbb h ALA 630 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1qbb h ALA 630 CO 0.64 0.70 0.34 0.95 0.00 0.00 0.00 179.25 181.88 1qbb s THR 631 N -3.14 4.35 -0.84 0.00 -4.23 -1.26 -4.95 115.64 105.58 1qbb s THR 631 Ca 0.02 1.56 0.27 0.00 -1.18 0.00 0.00 61.69 62.36 1qbb s THR 631 Cb 0.09 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.51 1qbb s THR 631 CO 0.74 -0.22 1.82 -1.54 -0.54 0.00 0.00 174.62 174.88 1qbb n SER 632 N -0.39 0.45 -4.10 3.99 3.41 -1.10 -4.69 113.62 111.19 1qbb n SER 632 Ca 0.06 0.55 -0.26 0.00 -0.26 0.00 0.00 58.87 58.96 1qbb n SER 632 Cb 0.53 -0.67 -0.16 0.00 -0.26 0.00 0.00 64.21 63.65 1qbb n SER 632 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qbb s ARG 633 N -3.07 1.85 -0.13 4.33 0.52 -1.11 -5.07 118.95 116.27 1qbb s ARG 633 Ca 0.12 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1qbb s ARG 633 Cb 0.15 -1.55 0.04 0.00 0.52 0.00 0.00 34.95 34.11 1qbb s ARG 633 CO 0.55 0.16 -0.02 0.08 0.02 0.00 0.00 175.30 176.08 1qbb s VAL 634 N 0.29 0.72 0.06 3.52 1.01 -1.26 -2.27 120.40 122.46 1qbb s VAL 634 Ca -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1qbb s VAL 634 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1qbb s VAL 634 CO 0.03 0.16 0.22 -0.83 0.00 0.00 0.00 175.10 174.69 1qbb s GLY 635 N 1.81 2.19 -0.04 4.51 0.00 0.09 -0.91 107.32 114.98 1qbb s GLY 635 Ca 0.03 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1qbb s GLY 635 CO -0.07 -0.76 -0.17 -1.34 0.00 0.00 0.00 173.10 170.76 1qbb s VAL 636 N -1.49 1.44 -0.46 1.40 -7.23 -0.56 -1.81 120.40 111.70 1qbb s VAL 636 Ca 0.34 -0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 1qbb s VAL 636 Cb -0.13 -1.24 0.03 0.00 0.56 0.00 0.00 36.38 35.60 1qbb s VAL 636 CO 0.26 0.42 1.12 0.20 -0.31 0.00 0.00 175.10 176.79 1qbb s ASN 637 N 0.04 6.67 -0.54 4.85 -0.87 0.63 -1.22 114.94 124.49 1qbb s ASN 637 Ca -0.04 0.53 -0.22 0.00 -1.57 0.00 0.00 52.86 51.56 1qbb s ASN 637 Cb -0.12 -2.54 0.05 0.00 -0.02 0.00 0.00 41.25 38.62 1qbb s ASN 637 CO 0.02 -1.20 0.80 0.12 -2.57 0.00 0.00 177.10 174.28 1qbb s PHE 638 N 4.32 2.90 -0.13 2.20 5.36 -0.22 -2.40 117.98 130.01 1qbb s PHE 638 Ca 0.47 -0.32 0.17 0.00 -0.96 0.00 0.00 56.93 56.29 1qbb s PHE 638 Cb -0.08 -3.86 0.29 0.00 -0.34 0.00 0.00 43.02 39.03 1qbb s PHE 638 CO 0.29 -1.24 1.15 -2.67 -1.46 0.00 0.00 175.22 171.29 1qbb n TRP 639 N 6.89 0.00 -2.70 10.12 4.27 -1.26 -0.97 117.44 133.79 1qbb n TRP 639 Ca -0.03 -0.99 -0.35 0.00 -3.89 0.00 0.00 57.50 52.24 1qbb n TRP 639 Cb 0.46 -0.16 -0.06 0.00 -1.36 0.00 0.00 31.31 30.20 1qbb n TRP 639 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1qbb s ASP 640 N -2.80 6.90 0.38 -0.67 1.01 -1.26 -4.38 116.67 115.85 1qbb s ASP 640 Ca 0.31 1.85 -0.24 0.00 0.71 0.00 0.00 52.55 55.19 1qbb s ASP 640 Cb 0.27 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.54 1qbb s ASP 640 CO 0.01 -0.38 0.95 0.42 0.21 0.00 0.00 175.17 176.38 1qbb s THR 641 N -1.87 4.27 0.03 -1.27 -4.23 -1.26 -4.39 115.64 106.92 1qbb s THR 641 Ca 0.59 1.64 -0.24 0.00 -1.18 0.00 0.00 61.69 62.50 1qbb s THR 641 Cb -0.16 -3.80 -0.17 0.00 1.34 0.00 0.00 72.50 69.71 1qbb s THR 641 CO 0.21 -0.08 1.47 -0.07 -0.54 0.00 0.00 174.62 175.60 1qbb h LEU 642 N 2.54 0.05 -1.36 4.79 3.38 -1.94 -1.69 115.31 121.08 1qbb h LEU 642 Ca -0.48 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1qbb h LEU 642 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1qbb h LEU 642 CO 0.63 0.33 0.00 0.10 0.09 0.00 0.00 178.44 179.59 1qbb h TYR 643 N -0.23 0.00 -0.02 1.13 -0.00 -1.96 -1.91 116.97 113.99 1qbb h TYR 643 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1qbb h TYR 643 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.03 1qbb h TYR 643 CO 0.03 0.00 -0.03 1.87 -0.00 0.00 0.00 178.16 180.02 1qbb n TRP 644 N -2.63 0.00 0.00 0.10 -0.00 -1.24 -4.94 117.44 108.74 1qbb n TRP 644 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1qbb n TRP 644 Cb 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.50 1qbb n TRP 644 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1qbb n GLY 645 N 1.23 0.86 0.37 5.87 0.00 -0.72 -5.02 105.19 107.78 1qbb n GLY 645 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 1qbb n GLY 645 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qbb h GLY 646 N 0.00 0.00 2.00 -0.02 0.00 -1.26 -1.36 103.07 102.43 1qbb h GLY 646 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qbb h GLY 646 CO 0.00 0.00 -0.01 0.27 0.00 0.00 0.00 176.54 176.80 1qbb h PHE 647 N 0.00 0.00 0.00 5.60 -5.15 -1.82 -2.36 116.94 113.21 1qbb h PHE 647 Ca 0.23 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.77 1qbb h PHE 647 Cb 0.93 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.05 1qbb h PHE 647 CO 0.00 0.01 -1.85 -3.47 -2.00 0.00 0.00 178.31 171.00 1qbb n ASP 648 N -3.18 2.37 0.22 -0.68 2.03 -0.58 -4.61 116.55 112.12 1qbb n ASP 648 Ca -0.02 -0.04 0.13 0.00 0.52 0.00 0.00 54.79 55.38 1qbb n ASP 648 Cb 0.13 0.33 0.30 0.00 -0.72 0.00 0.00 41.12 41.17 1qbb n ASP 648 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1qbb h SER 649 N 0.00 0.00 -0.34 1.67 4.64 -1.30 -3.19 113.55 115.03 1qbb h SER 649 Ca -0.34 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1qbb h SER 649 Cb 1.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.72 1qbb h SER 649 CO -0.01 0.00 0.10 1.62 -0.87 0.00 0.00 176.83 177.66 1qbb h VAL 650 N 0.00 1.19 -0.56 0.95 3.04 -1.69 -2.82 116.25 116.36 1qbb h VAL 650 Ca 0.00 -0.67 0.07 0.00 -1.01 0.00 0.00 66.70 65.09 1qbb h VAL 650 Cb 0.86 0.77 -0.06 0.00 -2.01 0.00 0.00 31.29 30.85 1qbb h VAL 650 CO 0.00 0.24 0.23 0.78 -1.01 0.00 0.00 177.57 177.82 1qbb h ASN 651 N 0.60 0.27 -0.90 3.17 4.21 -1.83 -2.20 115.58 118.91 1qbb h ASN 651 Ca 0.14 0.06 0.13 0.00 1.21 0.00 0.00 56.30 57.84 1qbb h ASN 651 Cb 0.23 0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 37.38 1qbb h ASN 651 CO -0.00 0.18 0.58 0.44 -1.29 0.00 0.00 177.43 177.33 1qbb h ASP 652 N 0.44 0.71 -0.09 5.81 3.32 -1.68 -1.94 116.42 122.99 1qbb h ASP 652 Ca 0.27 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1qbb h ASP 652 Cb 0.28 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1qbb h ASP 652 CO -0.25 0.38 -0.02 -0.50 -1.72 0.00 0.00 179.24 177.13 1qbb h TRP 653 N 0.76 0.19 -0.51 4.55 4.06 -1.49 -2.65 115.95 120.87 1qbb h TRP 653 Ca 0.44 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 61.30 1qbb h TRP 653 Cb 0.62 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 1qbb h TRP 653 CO -0.00 0.48 0.10 0.00 -3.56 0.00 0.00 178.44 175.45 1qbb h ALA 654 N 0.69 1.22 0.00 1.49 0.00 -1.43 -2.40 119.26 118.82 1qbb h ALA 654 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qbb h ALA 654 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1qbb h ALA 654 CO 0.01 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1qbb n ASN 655 N -4.27 0.22 -1.21 0.00 3.02 -0.77 -2.50 115.26 109.75 1qbb n ASN 655 Ca 0.03 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.23 1qbb n ASN 655 Cb 0.24 -0.59 0.26 0.00 -0.61 0.00 0.00 39.78 39.08 1qbb n ASN 655 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qbb n LYS 656 N -1.72 2.56 -0.07 3.52 5.02 -0.93 -4.94 118.16 121.59 1qbb n LYS 656 Ca 0.05 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 1qbb n LYS 656 Cb 0.29 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1qbb n LYS 656 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qbb n GLY 657 N 1.56 0.48 3.78 0.72 0.00 -1.04 -1.90 105.19 108.79 1qbb n GLY 657 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1qbb n GLY 657 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbb s TYR 658 N -2.20 3.69 -0.34 1.61 2.02 -1.05 -4.75 117.35 116.33 1qbb s TYR 658 Ca 0.00 1.75 -0.27 0.00 -0.37 0.00 0.00 57.07 58.18 1qbb s TYR 658 Cb 0.00 -2.90 0.02 0.00 -0.40 0.00 0.00 41.96 38.68 1qbb s TYR 658 CO 0.00 0.22 1.00 -1.21 -1.57 0.00 0.00 175.55 173.99 1qbb s GLU 659 N -2.05 3.96 -0.29 -0.62 2.02 -0.08 -4.17 118.70 117.47 1qbb s GLU 659 Ca 0.50 0.84 -0.24 0.00 0.02 0.00 0.00 54.97 56.08 1qbb s GLU 659 Cb -0.18 -3.77 -0.00 0.00 0.10 0.00 0.00 34.13 30.28 1qbb s GLU 659 CO 0.23 -0.93 0.81 0.08 0.02 0.00 0.00 175.26 175.48 1qbb s VAL 660 N 3.59 4.79 -0.54 2.63 1.01 -1.26 -1.49 120.40 129.12 1qbb s VAL 660 Ca 0.42 1.31 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 1qbb s VAL 660 Cb -0.12 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1qbb s VAL 660 CO 0.17 -0.22 0.52 -0.69 0.00 0.00 0.00 175.10 174.89 1qbb s VAL 661 N 2.97 5.15 -0.07 2.92 1.01 -0.36 -1.43 120.40 130.59 1qbb s VAL 661 Ca 0.34 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 1qbb s VAL 661 Cb -0.14 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 1qbb s VAL 661 CO 0.11 -0.88 1.96 -0.69 0.00 0.00 0.00 175.10 175.60 1qbb s VAL 662 N 1.79 3.15 -0.02 2.92 1.01 -0.70 -1.05 120.40 127.50 1qbb s VAL 662 Ca 0.05 0.18 0.16 0.00 0.00 0.00 0.00 61.98 62.37 1qbb s VAL 662 Cb -0.28 -3.14 0.29 0.00 0.00 0.00 0.00 36.38 33.24 1qbb s VAL 662 CO 0.04 -0.04 1.12 -1.20 0.00 0.00 0.00 175.10 175.01 1qbb n SER 663 N 8.69 0.79 -4.67 3.32 7.64 -0.15 -1.90 113.62 127.35 1qbb n SER 663 Ca 0.22 -2.19 -0.50 0.00 1.01 0.00 0.00 58.87 57.41 1qbb n SER 663 Cb 0.43 -0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1qbb n SER 663 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qbb n ASN 664 N 0.14 2.78 0.26 6.43 4.13 -1.08 -4.49 115.26 123.42 1qbb n ASN 664 Ca 0.05 1.05 0.09 0.00 1.68 0.00 0.00 54.58 57.46 1qbb n ASN 664 Cb 0.95 -1.30 0.66 0.00 -1.54 0.00 0.00 39.78 38.55 1qbb n ASN 664 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1qbb h PRO 665 N 6.97 0.00 0.00 3.52 0.13 -1.77 -1.29 132.00 139.57 1qbb h PRO 665 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1qbb h PRO 665 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1qbb h PRO 665 CO 0.90 0.04 0.00 -0.40 -0.23 0.00 0.00 178.00 178.31 1qbb n ASP 666 N -4.35 0.00 0.00 1.44 5.75 -1.26 -3.78 116.55 114.35 1qbb n ASP 666 Ca -0.03 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1qbb n ASP 666 Cb 0.12 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1qbb n ASP 666 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qbb n TYR 667 N -1.31 0.00 -1.39 2.11 4.02 -0.78 -4.88 117.16 114.93 1qbb n TYR 667 Ca 0.09 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.06 1qbb n TYR 667 Cb 0.18 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.64 1qbb n TYR 667 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1qbb n VAL 668 N -1.53 1.71 -3.17 -0.72 0.24 -0.56 -4.63 118.33 109.67 1qbb n VAL 668 Ca 0.00 -2.29 -0.42 0.00 -2.04 0.00 0.00 64.34 59.60 1qbb n VAL 668 Cb 0.15 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.34 1qbb n VAL 668 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1qbb s TYR 669 N -2.57 3.17 -2.05 6.34 1.51 -1.25 -0.97 117.35 121.53 1qbb s TYR 669 Ca 0.31 0.26 0.12 0.00 -1.01 0.00 0.00 57.07 56.76 1qbb s TYR 669 Cb 0.29 -3.03 0.39 0.00 -0.11 0.00 0.00 41.96 39.50 1qbb s TYR 669 CO -0.01 -0.58 1.31 -1.33 -1.11 0.00 0.00 175.55 173.82 1qbb n MET 670 N 5.89 1.74 0.00 -0.62 2.81 0.15 -3.27 117.12 123.81 1qbb n MET 670 Ca -0.03 -1.14 0.13 0.00 -1.81 0.00 0.00 57.70 54.85 1qbb n MET 670 Cb 0.49 -1.28 0.28 0.00 -0.71 0.00 0.00 33.22 32.00 1qbb n MET 670 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1qbb n ASP 671 N 0.41 2.15 -4.90 7.83 5.75 -1.23 -4.57 116.55 121.98 1qbb n ASP 671 Ca 0.12 -1.66 -0.29 0.00 -0.01 0.00 0.00 54.79 52.95 1qbb n ASP 671 Cb 0.28 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 1qbb n ASP 671 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1qbb s PHE 672 N -2.08 3.48 0.56 2.11 0.08 -1.20 -0.86 117.98 120.06 1qbb s PHE 672 Ca 0.31 0.75 -0.19 0.00 0.12 0.00 0.00 56.93 57.92 1qbb s PHE 672 Cb 0.20 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1qbb s PHE 672 CO 0.36 0.07 1.11 -2.14 -0.10 0.00 0.00 175.22 174.52 1qbb s PRO 673 N -3.72 3.30 0.22 0.24 0.02 -1.24 -4.80 135.00 129.02 1qbb s PRO 673 Ca 0.46 1.52 0.05 0.00 0.02 0.00 0.00 61.00 63.05 1qbb s PRO 673 Cb -0.11 -2.01 0.18 0.00 0.02 0.00 0.00 34.50 32.59 1qbb s PRO 673 CO 0.31 -0.87 1.51 1.88 -0.33 0.00 0.00 177.00 179.50 1qbb h TYR 674 N 0.98 0.23 -3.55 6.54 -1.99 -1.80 -0.26 116.97 117.13 1qbb h TYR 674 Ca -0.49 -0.10 -0.06 0.00 2.00 0.00 0.00 58.73 60.08 1qbb h TYR 674 Cb 1.25 -0.04 -0.12 0.00 2.00 0.00 0.00 36.73 39.82 1qbb h TYR 674 CO 0.53 0.81 -0.15 -1.83 -0.00 0.00 0.00 178.16 177.51 1qbb s GLU 675 N -3.54 1.13 -0.89 4.88 -1.05 -1.26 -3.49 118.70 114.48 1qbb s GLU 675 Ca -0.03 -0.90 -0.23 0.00 -0.15 0.00 0.00 54.97 53.67 1qbb s GLU 675 Cb 0.12 0.44 0.06 0.00 -0.44 0.00 0.00 34.13 34.31 1qbb s GLU 675 CO 0.80 -0.44 1.28 0.08 0.95 0.00 0.00 175.26 177.94 1qbb s VAL 676 N -3.87 4.09 -0.24 1.83 1.01 -1.26 -4.86 120.40 117.09 1qbb s VAL 676 Ca 0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1qbb s VAL 676 Cb 0.02 -4.92 0.10 0.00 0.00 0.00 0.00 36.38 31.57 1qbb s VAL 676 CO -0.07 -1.77 0.54 0.21 0.00 0.00 0.00 175.10 174.00 1qbb s ASN 677 N 4.26 -0.70 0.43 3.32 3.84 -1.26 -0.91 114.94 123.91 1qbb s ASN 677 Ca 0.38 1.26 0.28 0.00 0.21 0.00 0.00 52.86 54.98 1qbb s ASN 677 Cb -0.05 1.61 1.51 0.00 -0.55 0.00 0.00 41.25 43.77 1qbb s ASN 677 CO -0.02 -0.22 1.84 -0.65 -2.79 0.00 0.00 177.10 175.26 1qbb h PRO 678 N 7.81 0.00 -0.04 0.43 0.11 -1.89 -1.47 132.00 136.94 1qbb h PRO 678 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1qbb h PRO 678 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qbb h PRO 678 CO 0.14 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.68 1qbb n ASP 679 N -2.49 1.82 -4.86 -2.05 8.00 -1.26 -1.32 116.55 114.39 1qbb n ASP 679 Ca -0.02 -1.62 -0.31 0.00 0.71 0.00 0.00 54.79 53.55 1qbb n ASP 679 Cb 0.07 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 1qbb n ASP 679 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qbb s GLU 680 N -1.97 3.90 0.20 -1.24 0.41 -0.56 -4.96 118.70 114.48 1qbb s GLU 680 Ca 0.36 0.67 -0.23 0.00 -0.41 0.00 0.00 54.97 55.36 1qbb s GLU 680 Cb 0.21 -2.33 -0.08 0.00 -1.78 0.00 0.00 34.13 30.15 1qbb s GLU 680 CO 0.32 -0.05 0.76 0.50 -0.49 0.00 0.00 175.26 176.30 1qbb s ARG 681 N -3.66 4.42 0.00 1.61 3.52 -1.26 -4.54 118.95 119.04 1qbb s ARG 681 Ca 0.54 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.18 1qbb s ARG 681 Cb -0.10 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1qbb s ARG 681 CO 0.27 0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 1qbb n GLY 682 N 1.16 4.30 3.90 8.12 0.00 -1.26 -3.81 105.19 117.60 1qbb n GLY 682 Ca -0.04 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1qbb n GLY 682 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbb s TYR 683 N -2.11 3.07 -0.08 1.61 1.51 -0.04 -4.76 117.35 116.55 1qbb s TYR 683 Ca 0.00 0.82 0.03 0.00 -1.01 0.00 0.00 57.07 56.92 1qbb s TYR 683 Cb 0.00 -3.33 0.10 0.00 -0.11 0.00 0.00 41.96 38.62 1qbb s TYR 683 CO 0.00 -1.55 1.09 2.48 -1.11 0.00 0.00 175.55 176.46 1qbb n TYR 684 N -3.18 -0.51 0.10 2.71 4.11 -1.26 -3.70 117.16 115.42 1qbb n TYR 684 Ca 0.08 -0.77 -0.05 0.00 -0.00 0.00 0.00 57.90 57.16 1qbb n TYR 684 Cb 0.60 0.75 0.11 0.00 -0.00 0.00 0.00 39.34 40.80 1qbb n TYR 684 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 1qbb h TRP 685 N 0.24 0.22 0.00 -3.48 5.08 -1.98 -3.30 115.95 112.73 1qbb h TRP 685 Ca -0.51 -0.09 -0.06 0.00 1.08 0.00 0.00 58.89 59.31 1qbb h TRP 685 Cb 1.34 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.46 1qbb h TRP 685 CO -0.15 0.77 -1.42 0.41 -1.28 0.00 0.00 178.44 176.77 1qbb n GLY 686 N 0.37 -1.26 3.58 11.11 0.00 -1.26 -4.98 105.19 112.74 1qbb n GLY 686 Ca -0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 1qbb n GLY 686 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qbb s THR 687 N -3.26 0.00 -0.16 2.61 -1.32 -1.24 -4.46 115.64 107.80 1qbb s THR 687 Ca -0.03 -0.21 0.16 0.00 -1.21 0.00 0.00 61.69 60.40 1qbb s THR 687 Cb 0.10 -1.32 0.01 0.00 -1.51 0.00 0.00 72.50 69.78 1qbb s THR 687 CO 0.83 0.00 1.23 -0.09 -2.21 0.00 0.00 174.62 174.38 1qbb h ARG 688 N 2.00 0.00 -2.71 7.08 9.65 -1.78 -3.41 114.38 125.22 1qbb h ARG 688 Ca -0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1qbb h ARG 688 Cb 1.24 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.68 1qbb h ARG 688 CO 0.29 0.38 0.27 -0.59 2.80 0.00 0.00 179.97 183.13 1qbb s PHE 689 N -2.99 -0.51 -0.29 2.20 -0.71 -1.26 -4.45 117.98 109.97 1qbb s PHE 689 Ca 0.02 0.40 0.02 0.00 -1.04 0.00 0.00 56.93 56.32 1qbb s PHE 689 Cb 0.08 0.54 0.16 0.00 -1.21 0.00 0.00 43.02 42.58 1qbb s PHE 689 CO 0.77 -0.75 0.39 0.45 -1.34 0.00 0.00 175.22 174.74 1qbb s SER 690 N -2.48 0.57 0.74 1.98 0.15 -0.11 -4.97 113.70 109.58 1qbb s SER 690 Ca 0.00 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 1qbb s SER 690 Cb -0.01 1.02 0.14 0.00 -1.71 0.00 0.00 66.02 65.46 1qbb s SER 690 CO -0.09 -0.36 1.02 1.51 1.20 0.00 0.00 173.24 176.52 1qbb s ASP 691 N 2.52 4.22 0.23 5.45 1.47 -1.23 -4.27 116.67 125.07 1qbb s ASP 691 Ca 0.10 -0.42 -0.07 0.00 1.18 0.00 0.00 52.55 53.34 1qbb s ASP 691 Cb -0.13 0.11 0.33 0.00 -0.34 0.00 0.00 42.92 42.89 1qbb s ASP 691 CO -0.30 -1.95 1.80 -0.33 0.68 0.00 0.00 175.17 175.06 1qbb h GLU 692 N -0.60 0.67 -0.12 2.11 3.07 -1.92 -2.36 114.58 115.44 1qbb h GLU 692 Ca -0.35 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1qbb h GLU 692 Cb 1.26 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1qbb h GLU 692 CO 0.38 0.45 0.06 -0.09 -1.40 0.00 0.00 179.01 178.41 1qbb h ARG 693 N 0.69 0.17 -0.75 2.33 2.43 -1.94 -2.25 114.38 115.06 1qbb h ARG 693 Ca 0.35 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1qbb h ARG 693 Cb 0.31 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1qbb h ARG 693 CO -0.24 0.22 0.26 -0.22 -1.51 0.00 0.00 179.97 178.49 1qbb h LYS 694 N 0.09 1.15 -0.56 0.20 3.64 -1.85 -2.03 116.57 117.21 1qbb h LYS 694 Ca 0.04 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1qbb h LYS 694 Cb 0.10 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1qbb h LYS 694 CO -0.01 0.96 0.32 0.28 -2.27 0.00 0.00 179.45 178.73 1qbb h VAL 695 N 1.11 1.18 -0.59 2.00 2.07 -1.39 -2.66 116.25 117.96 1qbb h VAL 695 Ca 0.25 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1qbb h VAL 695 Cb 0.27 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1qbb h VAL 695 CO -0.01 0.19 0.29 0.15 0.02 0.00 0.00 177.57 178.21 1qbb h PHE 696 N 0.76 0.82 0.00 1.57 3.04 -1.22 -2.82 116.94 119.09 1qbb h PHE 696 Ca 0.20 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1qbb h PHE 696 Cb 0.03 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.28 1qbb h PHE 696 CO -0.02 0.60 0.00 -1.13 -2.02 0.00 0.00 178.31 175.74 1qbb n SER 697 N -4.36 0.08 -4.69 0.41 3.41 -0.78 -4.78 113.62 102.90 1qbb n SER 697 Ca 0.05 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1qbb n SER 697 Cb 0.12 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1qbb n SER 697 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qbb s PHE 698 N -3.01 2.54 -0.70 7.33 5.36 -1.06 -4.97 117.98 123.46 1qbb s PHE 698 Ca 0.13 0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 56.39 1qbb s PHE 698 Cb 0.17 -3.96 0.18 0.00 -0.34 0.00 0.00 43.02 39.07 1qbb s PHE 698 CO 0.51 -3.82 0.57 0.00 -1.46 0.00 0.00 175.22 171.03 1qbb s ALA 699 N 2.35 3.78 -0.40 11.12 0.00 -1.26 -4.97 121.76 132.38 1qbb s ALA 699 Ca 0.73 -3.23 0.27 0.00 0.00 0.00 0.00 51.96 49.73 1qbb s ALA 699 Cb -0.41 -3.04 0.94 0.00 0.00 0.00 0.00 23.12 20.61 1qbb s ALA 699 CO 0.32 -2.16 1.78 -1.00 0.00 0.00 0.00 175.76 174.70 1qbb h PRO 700 N 7.47 0.00 -0.02 0.00 0.13 -1.94 -3.27 132.00 134.36 1qbb h PRO 700 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1qbb h PRO 700 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1qbb h PRO 700 CO 0.74 0.00 -0.35 -3.47 -0.23 0.00 0.00 178.00 174.70 1qbb n ASP 701 N -2.57 2.11 -3.13 1.44 -0.08 -1.26 -4.53 116.55 108.53 1qbb n ASP 701 Ca 0.03 -1.56 -0.21 0.00 -1.51 0.00 0.00 54.79 51.54 1qbb n ASP 701 Cb 0.34 0.38 -0.05 0.00 2.34 0.00 0.00 41.12 44.13 1qbb n ASP 701 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1qbb n ASN 702 N 0.22 -0.66 -0.34 1.67 5.15 -1.23 -4.61 115.26 115.46 1qbb n ASN 702 Ca 0.09 -2.74 0.09 0.00 -0.60 0.00 0.00 54.58 51.42 1qbb n ASN 702 Cb 0.46 -0.08 0.27 0.00 -0.53 0.00 0.00 39.78 39.89 1qbb n ASN 702 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1qbb h MET 703 N 4.37 0.80 -0.16 1.20 2.86 -1.80 -2.21 114.93 119.99 1qbb h MET 703 Ca 0.07 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1qbb h MET 703 Cb 0.92 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1qbb h MET 703 CO 0.40 0.53 0.14 -1.35 1.06 0.00 0.00 176.91 177.69 1qbb h PRO 704 N 0.83 0.00 0.00 -0.22 0.11 -1.90 -2.74 132.00 128.08 1qbb h PRO 704 Ca 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.62 1qbb h PRO 704 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1qbb h PRO 704 CO -0.33 0.00 -0.04 -0.56 -0.21 0.00 0.00 178.00 176.86 1qbb h GLN 705 N 0.00 0.00 0.00 1.05 3.07 -1.73 -2.60 115.11 114.90 1qbb h GLN 705 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1qbb h GLN 705 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1qbb h GLN 705 CO -0.00 0.04 0.00 0.09 0.09 0.00 0.00 178.83 179.05 1qbb n ASN 706 N -3.16 0.36 0.28 0.06 3.02 -1.03 -1.58 115.26 113.20 1qbb n ASN 706 Ca 0.00 0.62 0.15 0.00 -0.03 0.00 0.00 54.58 55.33 1qbb n ASN 706 Cb 0.32 -0.69 0.78 0.00 -0.61 0.00 0.00 39.78 39.59 1qbb n ASN 706 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qbb h ALA 707 N 2.19 1.17 0.00 5.41 0.00 -1.69 -2.01 119.26 124.34 1qbb h ALA 707 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qbb h ALA 707 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qbb h ALA 707 CO 0.00 0.11 -0.96 0.39 0.00 0.00 0.00 179.25 178.79 1qbb n GLU 708 N -3.43 0.45 -0.03 0.00 1.02 -0.62 -3.24 120.64 114.79 1qbb n GLU 708 Ca -0.01 0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 1qbb n GLU 708 Cb 0.23 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1qbb n GLU 708 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qbb n THR 709 N -2.34 0.65 -4.04 2.62 -2.24 -0.88 -4.80 114.28 103.25 1qbb n THR 709 Ca 0.01 -0.83 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 1qbb n THR 709 Cb 0.49 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 1qbb n THR 709 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qbb s SER 710 N -0.74 0.08 0.24 3.42 1.04 -0.81 -5.04 113.70 111.89 1qbb s SER 710 Ca 0.05 -1.08 0.10 0.00 0.48 0.00 0.00 55.95 55.50 1qbb s SER 710 Cb 0.03 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 1qbb s SER 710 CO 0.04 -1.12 -0.17 0.68 0.98 0.00 0.00 173.24 173.65 1qbb s VAL 711 N -3.88 2.06 0.30 5.02 -7.23 -1.26 -4.68 120.40 110.72 1qbb s VAL 711 Ca 0.26 -2.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1qbb s VAL 711 Cb 0.01 -2.16 0.07 0.00 0.56 0.00 0.00 36.38 34.85 1qbb s VAL 711 CO 0.11 -0.51 0.38 -0.90 -0.31 0.00 0.00 175.10 173.87 1qbb n ASP 712 N -0.49 -0.18 0.23 4.85 5.68 -0.47 -4.84 116.55 121.34 1qbb n ASP 712 Ca -0.07 -1.07 0.16 0.00 -0.50 0.00 0.00 54.79 53.31 1qbb n ASP 712 Cb 0.60 -0.29 0.71 0.00 -1.14 0.00 0.00 41.12 41.00 1qbb n ASP 712 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1qbb h ARG 713 N 0.00 0.00 -0.41 0.11 0.11 -1.89 -2.23 114.38 110.06 1qbb h ARG 713 Ca -0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1qbb h ARG 713 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1qbb h ARG 713 CO 0.09 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.91 1qbb n ASP 714 N -2.74 3.87 -0.05 0.08 8.00 -1.26 -4.01 116.55 120.44 1qbb n ASP 714 Ca 0.00 -2.51 -0.01 0.00 0.71 0.00 0.00 54.79 52.99 1qbb n ASP 714 Cb 0.21 -0.45 -0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1qbb n ASP 714 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qbb n GLY 715 N 0.34 0.46 3.88 0.44 0.00 -0.84 -1.41 105.19 108.06 1qbb n GLY 715 Ca 0.20 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1qbb n GLY 715 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qbb s ASN 716 N -2.17 6.54 0.53 1.61 0.02 -1.26 -4.70 114.94 115.51 1qbb s ASN 716 Ca 0.00 0.99 -0.18 0.00 -1.02 0.00 0.00 52.86 52.64 1qbb s ASN 716 Cb 0.00 -2.26 -0.07 0.00 0.02 0.00 0.00 41.25 38.95 1qbb s ASN 716 CO 0.00 -0.27 1.04 -1.00 0.02 0.00 0.00 177.10 176.89 1qbb s HIS 717 N -2.17 3.02 0.26 2.20 3.76 -1.26 -1.37 115.29 119.74 1qbb s HIS 717 Ca 0.49 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.96 1qbb s HIS 717 Cb -0.11 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.50 1qbb s HIS 717 CO 0.28 -0.91 0.09 -0.59 -0.85 0.00 0.00 174.74 172.76 1qbb s PHE 718 N -2.18 1.57 0.15 1.40 -0.71 -1.26 -4.89 117.98 112.05 1qbb s PHE 718 Ca 0.66 -1.15 0.10 0.00 -1.04 0.00 0.00 56.93 55.49 1qbb s PHE 718 Cb -0.16 -0.93 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1qbb s PHE 718 CO 0.27 -0.30 -0.22 -0.80 -1.34 0.00 0.00 175.22 172.83 1qbb s ASN 719 N -3.33 3.62 -0.20 1.98 0.01 -1.26 -0.30 114.94 115.47 1qbb s ASN 719 Ca 0.37 -0.71 -0.18 0.00 -0.71 0.00 0.00 52.86 51.64 1qbb s ASN 719 Cb 0.08 -0.38 0.05 0.00 0.41 0.00 0.00 41.25 41.41 1qbb s ASN 719 CO 0.14 0.15 0.52 0.00 -1.51 0.00 0.00 177.10 176.40 1qbb s ALA 720 N -1.33 -1.29 -0.21 0.60 0.00 0.78 -4.99 121.76 115.32 1qbb s ALA 720 Ca 0.18 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 1qbb s ALA 720 Cb -0.09 -0.86 0.08 0.00 0.00 0.00 0.00 23.12 22.24 1qbb s ALA 720 CO 0.09 -0.25 0.76 0.21 0.00 0.00 0.00 175.76 176.57 1qbb s LYS 721 N 0.31 0.85 -0.00 0.00 2.20 -1.26 -0.45 119.74 121.38 1qbb s LYS 721 Ca -0.00 0.71 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 1qbb s LYS 721 Cb -0.04 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1qbb s LYS 721 CO 0.00 -0.16 -0.05 0.45 -0.36 0.00 0.00 175.35 175.23 1qbb s SER 722 N -0.14 0.55 0.00 1.43 0.15 -1.26 -4.63 113.70 109.80 1qbb s SER 722 Ca -0.03 -0.08 0.22 0.00 0.70 0.00 0.00 55.95 56.76 1qbb s SER 722 Cb -0.03 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1qbb s SER 722 CO 0.03 0.05 1.05 0.47 1.20 0.00 0.00 173.24 176.04 1qbb n ASP 723 N 3.00 1.92 -4.90 5.45 8.00 -1.26 -0.42 116.55 128.34 1qbb n ASP 723 Ca -0.13 -1.46 -0.28 0.00 0.71 0.00 0.00 54.79 53.63 1qbb n ASP 723 Cb 0.58 0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 42.19 1qbb n ASP 723 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qbb s LYS 724 N -2.45 3.59 0.47 -1.24 1.02 -1.26 -4.70 119.74 115.17 1qbb s LYS 724 Ca 0.17 0.18 -0.24 0.00 0.02 0.00 0.00 55.97 56.10 1qbb s LYS 724 Cb 0.17 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.98 1qbb s LYS 724 CO 0.58 -0.10 1.39 -2.14 -0.92 0.00 0.00 175.35 174.16 1qbb s PRO 725 N -4.40 3.56 -0.24 -1.68 0.02 -1.26 -4.73 135.00 126.26 1qbb s PRO 725 Ca 0.47 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.78 1qbb s PRO 725 Cb -0.10 -2.54 0.08 0.00 0.02 0.00 0.00 34.50 31.95 1qbb s PRO 725 CO 0.40 -0.88 0.07 -0.46 -0.33 0.00 0.00 177.00 175.80 1qbb s TRP 726 N -1.25 1.08 -0.24 6.54 -0.00 -1.26 -4.84 118.94 118.97 1qbb s TRP 726 Ca 0.64 -1.10 0.28 0.00 -0.00 0.00 0.00 56.10 55.91 1qbb s TRP 726 Cb -0.42 -1.20 0.83 0.00 -0.00 0.00 0.00 33.47 32.69 1qbb s TRP 726 CO 0.52 -0.72 1.78 -1.00 -0.00 0.00 0.00 176.95 177.53 1qbb h PRO 727 N 8.23 0.00 0.00 5.86 0.13 -1.94 -3.49 132.00 140.79 1qbb h PRO 727 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qbb h PRO 727 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qbb h PRO 727 CO 0.39 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.57 1qbb n GLY 728 N 0.62 2.49 3.86 1.56 0.00 -1.26 -5.08 105.19 107.38 1qbb n GLY 728 Ca 0.03 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1qbb n GLY 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbb s ALA 729 N -2.72 3.25 -0.12 4.61 0.00 -1.26 -4.79 121.76 120.73 1qbb s ALA 729 Ca 0.00 -0.04 0.17 0.00 0.00 0.00 0.00 51.96 52.09 1qbb s ALA 729 Cb 0.00 -2.86 -0.21 0.00 0.00 0.00 0.00 23.12 20.05 1qbb s ALA 729 CO 0.00 -0.05 0.54 0.98 0.00 0.00 0.00 175.76 177.23 1qbb n TYR 730 N -1.28 0.60 -3.64 0.00 9.36 -0.51 -4.95 117.16 116.74 1qbb n TYR 730 Ca 0.04 0.20 -0.02 0.00 3.32 0.00 0.00 57.90 61.44 1qbb n TYR 730 Cb 0.54 -1.02 0.01 0.00 -0.63 0.00 0.00 39.34 38.25 1qbb n TYR 730 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qbb n GLY 731 N 1.51 1.02 2.90 2.98 0.00 -1.08 -3.72 105.19 108.80 1qbb n GLY 731 Ca -0.17 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 1qbb n GLY 731 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qbb s LEU 732 N 0.00 1.91 -0.02 0.99 2.96 -0.77 -1.72 118.68 122.04 1qbb s LEU 732 Ca 0.12 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1qbb s LEU 732 Cb -0.02 -0.12 0.02 0.00 0.50 0.00 0.00 46.19 46.57 1qbb s LEU 732 CO 0.04 0.01 0.04 -0.55 -1.32 0.00 0.00 176.35 174.57 1qbb s SER 733 N 0.06 0.01 -0.15 3.68 0.15 -0.80 -0.44 113.70 116.22 1qbb s SER 733 Ca -0.00 0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.68 1qbb s SER 733 Cb -0.02 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1qbb s SER 733 CO -0.00 -0.07 -0.03 0.00 1.20 0.00 0.00 173.24 174.33 1qbb s ALA 734 N 0.57 3.02 -0.15 5.45 0.00 -0.82 -4.42 121.76 125.41 1qbb s ALA 734 Ca -0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1qbb s ALA 734 Cb -0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1qbb s ALA 734 CO -0.02 0.23 -0.03 -0.65 0.00 0.00 0.00 175.76 175.30 1qbb s GLN 735 N 0.29 3.58 -0.47 0.00 1.11 -0.14 -1.18 119.66 122.84 1qbb s GLN 735 Ca -0.03 -0.50 -0.06 0.00 0.01 0.00 0.00 55.36 54.78 1qbb s GLN 735 Cb -0.14 -2.90 0.12 0.00 -1.01 0.00 0.00 33.01 29.08 1qbb s GLN 735 CO 0.03 0.31 0.31 -1.17 0.01 0.00 0.00 175.29 174.78 1qbb s LEU 736 N 0.18 5.50 0.32 2.90 1.98 -0.53 0.29 118.68 129.31 1qbb s LEU 736 Ca -0.01 -2.09 -0.21 0.00 -2.89 0.00 0.00 54.13 48.93 1qbb s LEU 736 Cb -0.14 -1.93 -0.09 0.00 0.66 0.00 0.00 46.19 44.69 1qbb s LEU 736 CO 0.03 -0.59 0.83 0.26 -1.89 0.00 0.00 176.35 174.99 1qbb s TRP 737 N 1.08 3.53 -0.46 5.38 0.52 -1.26 -1.96 118.94 125.76 1qbb s TRP 737 Ca 0.08 1.50 0.13 0.00 0.02 0.00 0.00 56.10 57.84 1qbb s TRP 737 Cb -0.24 -2.73 0.39 0.00 -1.15 0.00 0.00 33.47 29.74 1qbb s TRP 737 CO -0.03 0.15 1.31 0.43 0.02 0.00 0.00 176.95 178.83 1qbb n SER 738 N 0.14 3.27 -0.27 2.95 7.64 -1.26 -4.67 113.62 121.42 1qbb n SER 738 Ca 0.02 -2.54 -0.11 0.00 1.01 0.00 0.00 58.87 57.25 1qbb n SER 738 Cb 0.52 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.27 1qbb n SER 738 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1qbb h GLU 739 N 1.65 -0.19 -0.66 1.43 3.07 -1.95 -1.39 114.58 116.54 1qbb h GLU 739 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qbb h GLU 739 Cb 1.06 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1qbb h GLU 739 CO 0.10 -0.13 0.00 0.25 -1.40 0.00 0.00 179.01 177.84 1qbb n THR 740 N -5.35 1.35 -3.18 1.13 -2.24 -1.26 -4.67 114.28 100.06 1qbb n THR 740 Ca 0.00 -1.10 -0.44 0.00 -2.27 0.00 0.00 64.05 60.25 1qbb n THR 740 Cb 0.32 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1qbb n THR 740 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qbb n GLN 741 N 1.31 3.92 0.15 -0.78 3.00 -0.52 -4.82 117.38 119.64 1qbb n GLN 741 Ca 0.24 -4.47 0.01 0.00 -0.01 0.00 0.00 57.00 52.77 1qbb n GLN 741 Cb 0.72 -2.55 0.20 0.00 0.00 0.00 0.00 30.24 28.61 1qbb n GLN 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qbb h ARG 742 N 6.16 0.00 -5.54 -1.09 3.08 -1.83 -3.45 114.38 111.71 1qbb h ARG 742 Ca 0.19 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.64 1qbb h ARG 742 Cb 0.76 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.68 1qbb h ARG 742 CO 1.16 0.54 -0.59 0.95 -1.07 0.00 0.00 179.97 180.96 1qbb s THR 743 N -3.48 1.77 0.13 2.04 -4.23 -1.26 -4.84 115.64 105.77 1qbb s THR 743 Ca -0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1qbb s THR 743 Cb 0.11 -2.89 -0.12 0.00 1.34 0.00 0.00 72.50 70.94 1qbb s THR 743 CO 0.73 0.00 1.37 0.44 -0.54 0.00 0.00 174.62 176.62 1qbb h ASP 744 N 1.79 0.87 -0.19 3.99 3.32 -1.89 -2.53 116.42 121.80 1qbb h ASP 744 Ca -0.43 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.06 1qbb h ASP 744 Cb 1.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1qbb h ASP 744 CO 0.78 1.32 0.07 -0.65 -1.72 0.00 0.00 179.24 179.04 1qbb h PRO 745 N 0.54 0.35 -0.34 3.56 0.11 -1.97 0.28 132.00 134.53 1qbb h PRO 745 Ca -0.03 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 1qbb h PRO 745 Cb 1.30 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1qbb h PRO 745 CO 0.14 0.33 -0.30 1.96 -0.21 0.00 0.00 178.00 179.91 1qbb h GLN 746 N 0.35 0.80 -0.19 1.05 4.20 -1.88 0.39 115.11 119.84 1qbb h GLN 746 Ca 0.09 -0.41 0.02 0.00 0.06 0.00 0.00 58.65 58.41 1qbb h GLN 746 Cb 0.13 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1qbb h GLN 746 CO -0.01 1.04 0.05 1.98 -0.67 0.00 0.00 178.83 181.23 1qbb h MET 747 N 0.58 0.13 -0.45 1.46 4.05 -0.92 -2.60 114.93 117.18 1qbb h MET 747 Ca 0.06 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1qbb h MET 747 Cb 0.88 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 1qbb h MET 747 CO 0.08 0.08 0.06 0.93 0.23 0.00 0.00 176.91 178.29 1qbb h GLU 748 N 0.13 0.71 -0.95 0.39 5.08 -0.74 -2.30 114.58 116.89 1qbb h GLU 748 Ca 0.08 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1qbb h GLU 748 Cb 0.07 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1qbb h GLU 748 CO -0.10 0.68 0.63 -0.92 -1.00 0.00 0.00 179.01 178.30 1qbb h TYR 749 N 0.68 1.17 0.09 4.33 5.03 -0.60 -2.37 116.97 125.29 1qbb h TYR 749 Ca 0.14 0.03 -0.26 0.00 2.58 0.00 0.00 58.73 61.23 1qbb h TYR 749 Cb 0.33 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.22 1qbb h TYR 749 CO 0.02 0.69 -1.15 0.52 -1.32 0.00 0.00 178.16 176.91 1qbb h MET 750 N 1.22 0.26 0.15 1.82 2.86 -1.17 -3.33 114.93 116.74 1qbb h MET 750 Ca 0.38 -0.40 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 1qbb h MET 750 Cb -0.01 0.14 0.02 0.00 0.06 0.00 0.00 31.60 31.81 1qbb h MET 750 CO -0.11 1.17 -0.89 0.82 1.06 0.00 0.00 176.91 178.95 1qbb h ILE 751 N 0.09 1.48 -3.55 -1.22 2.04 -1.41 -3.45 117.51 111.49 1qbb h ILE 751 Ca -0.11 -2.55 -0.67 0.00 1.00 0.00 0.00 64.86 62.53 1qbb h ILE 751 Cb 1.87 3.18 -0.21 0.00 -0.74 0.00 0.00 36.82 40.92 1qbb h ILE 751 CO 0.19 0.73 -0.70 -0.36 0.00 0.00 0.00 178.15 178.01 1qbb s PHE 752 N -2.45 2.94 -2.11 1.37 0.08 -0.90 -0.41 117.98 116.50 1qbb s PHE 752 Ca -0.13 -0.13 0.18 0.00 0.12 0.00 0.00 56.93 56.96 1qbb s PHE 752 Cb 0.01 -1.78 0.51 0.00 -0.57 0.00 0.00 43.02 41.18 1qbb s PHE 752 CO 0.84 0.18 1.42 -0.35 -0.10 0.00 0.00 175.22 177.21 1qbb n PRO 753 N 2.69 2.20 0.22 0.24 -0.04 -1.26 -1.52 135.00 137.53 1qbb n PRO 753 Ca -0.18 -1.85 0.15 0.00 -0.04 0.00 0.00 63.50 61.59 1qbb n PRO 753 Cb 0.53 -1.43 0.68 0.00 -0.04 0.00 0.00 33.50 33.24 1qbb n PRO 753 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1qbb h ARG 754 N 3.18 0.00 0.00 0.54 0.11 -1.84 -1.51 114.38 114.87 1qbb h ARG 754 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qbb h ARG 754 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1qbb h ARG 754 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 1qbb h ALA 755 N 2.10 1.00 -0.11 0.08 0.00 -1.08 -1.74 119.26 119.51 1qbb h ALA 755 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1qbb h ALA 755 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qbb h ALA 755 CO 0.00 0.00 -0.46 -0.07 0.00 0.00 0.00 179.25 178.72 1qbb h LEU 756 N 0.00 0.29 -0.70 0.00 4.07 -1.54 -1.41 115.31 116.02 1qbb h LEU 756 Ca 0.00 -0.13 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 1qbb h LEU 756 Cb 0.39 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1qbb h LEU 756 CO 0.00 0.71 0.01 0.28 -1.08 0.00 0.00 178.44 178.36 1qbb h SER 757 N 0.22 0.99 -0.14 -0.43 0.02 -1.46 -2.24 113.55 110.50 1qbb h SER 757 Ca 0.01 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1qbb h SER 757 Cb 0.90 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1qbb h SER 757 CO 0.07 1.04 0.07 0.58 -1.14 0.00 0.00 176.83 177.45 1qbb h VAL 758 N 0.93 1.12 -0.97 2.27 2.07 -1.35 -2.16 116.25 118.17 1qbb h VAL 758 Ca 0.17 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1qbb h VAL 758 Cb 0.53 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1qbb h VAL 758 CO 0.03 0.11 0.62 0.00 0.02 0.00 0.00 177.57 178.34 1qbb h ALA 759 N 0.94 1.36 0.38 1.67 0.00 -1.01 0.37 119.26 122.97 1qbb h ALA 759 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qbb h ALA 759 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1qbb h ALA 759 CO -0.01 0.38 -0.18 1.49 0.00 0.00 0.00 179.25 180.94 1qbb h GLU 760 N 1.11 -0.49 0.00 0.00 4.57 -1.30 -2.12 114.58 116.35 1qbb h GLU 760 Ca 0.43 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.55 1qbb h GLU 760 Cb 0.20 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1qbb h GLU 760 CO -0.18 -0.25 -0.42 -0.09 -1.18 0.00 0.00 179.01 176.88 1qbb h ARG 761 N -0.63 0.00 0.00 1.92 9.65 -1.00 0.13 114.38 124.46 1qbb h ARG 761 Ca -0.05 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1qbb h ARG 761 Cb 0.46 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1qbb h ARG 761 CO 0.08 0.42 -0.20 0.66 2.80 0.00 0.00 179.97 183.74 1qbb h SER 762 N 0.00 0.00 0.01 -3.80 4.64 -0.90 -3.35 113.55 110.15 1qbb h SER 762 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 1qbb h SER 762 Cb 0.88 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 1qbb h SER 762 CO 0.06 0.12 -1.60 1.87 -0.87 0.00 0.00 176.83 176.40 1qbb n TRP 763 N -3.10 0.79 -4.49 4.77 -0.00 -0.80 -3.75 117.44 110.86 1qbb n TRP 763 Ca 0.03 0.33 -0.33 0.00 -0.00 0.00 0.00 57.50 57.53 1qbb n TRP 763 Cb 0.58 -1.08 -0.13 0.00 -0.00 0.00 0.00 31.31 30.68 1qbb n TRP 763 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1qbb s HIS 764 N -2.41 2.96 -0.30 5.87 2.46 0.45 -1.13 115.29 123.20 1qbb s HIS 764 Ca -0.31 -0.41 -0.19 0.00 0.47 0.00 0.00 55.06 54.62 1qbb s HIS 764 Cb 0.08 -1.93 -0.02 0.00 -0.13 0.00 0.00 32.58 30.58 1qbb s HIS 764 CO 0.58 -0.10 0.56 0.50 -2.47 0.00 0.00 174.74 173.81 1qbb s ARG 765 N 0.39 3.91 0.63 2.88 3.52 -1.26 -4.47 118.95 124.56 1qbb s ARG 765 Ca -0.06 0.22 -0.10 0.00 -0.13 0.00 0.00 55.73 55.66 1qbb s ARG 765 Cb -0.15 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 1qbb s ARG 765 CO 0.04 -0.50 1.01 0.00 -0.81 0.00 0.00 175.30 175.04 1qbb s ALA 766 N 2.45 3.08 0.48 6.12 0.00 -1.26 -4.97 121.76 127.66 1qbb s ALA 766 Ca 0.22 -0.27 0.28 0.00 0.00 0.00 0.00 51.96 52.20 1qbb s ALA 766 Cb -0.15 -2.97 1.57 0.00 0.00 0.00 0.00 23.12 21.57 1qbb s ALA 766 CO 0.11 -0.80 2.14 0.78 0.00 0.00 0.00 175.76 177.98 1qbb h GLY 767 N -0.36 0.00 1.13 0.00 0.00 -1.98 -2.00 103.07 99.87 1qbb h GLY 767 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1qbb h GLY 767 CO 0.62 0.00 -0.12 -2.67 0.00 0.00 0.00 176.54 174.37 1qbb n TRP 768 N -3.73 0.00 -2.72 5.60 4.27 -1.26 -4.53 117.44 115.07 1qbb n TRP 768 Ca -0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1qbb n TRP 768 Cb 0.18 -0.24 -0.03 0.00 -1.36 0.00 0.00 31.31 29.85 1qbb n TRP 768 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1qbb s GLU 769 N -2.61 3.20 0.66 -2.67 2.02 -0.75 -4.61 118.70 113.95 1qbb s GLU 769 Ca 0.25 -0.44 -0.11 0.00 0.02 0.00 0.00 54.97 54.68 1qbb s GLU 769 Cb 0.20 -4.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.25 1qbb s GLU 769 CO 0.50 -1.88 1.06 -0.65 0.02 0.00 0.00 175.26 174.31 1qbb s GLN 770 N 4.73 3.22 0.37 1.61 -0.21 -1.26 -4.84 119.66 123.28 1qbb s GLN 770 Ca 0.30 0.67 -0.26 0.00 0.02 0.00 0.00 55.36 56.08 1qbb s GLN 770 Cb -0.12 -2.04 -0.09 0.00 1.00 0.00 0.00 33.01 31.76 1qbb s GLN 770 CO 0.14 -0.83 1.17 -0.51 -2.12 0.00 0.00 175.29 173.15 1qbb s ASP 771 N -4.19 6.68 0.33 5.90 1.01 -1.26 -4.68 116.67 120.47 1qbb s ASP 771 Ca 0.57 2.37 -0.29 0.00 0.71 0.00 0.00 52.55 55.91 1qbb s ASP 771 Cb -0.11 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.08 1qbb s ASP 771 CO 0.53 -0.56 1.54 -0.47 0.21 0.00 0.00 175.17 176.42 1qbb s TYR 772 N -1.34 2.67 -0.17 4.23 5.04 -1.26 -5.00 117.35 121.52 1qbb s TYR 772 Ca 0.54 0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 56.10 1qbb s TYR 772 Cb -0.32 -4.05 0.05 0.00 0.35 0.00 0.00 41.96 38.00 1qbb s TYR 772 CO 0.41 -3.32 0.04 1.03 -1.34 0.00 0.00 175.55 172.36 1qbb s ARG 773 N -1.24 0.58 0.22 4.97 0.52 -1.26 -5.08 118.95 117.66 1qbb s ARG 773 Ca 0.58 -0.30 -0.32 0.00 -0.52 0.00 0.00 55.73 55.18 1qbb s ARG 773 Cb -0.47 -1.89 -0.12 0.00 0.52 0.00 0.00 34.95 32.99 1qbb s ARG 773 CO 0.55 -0.59 1.71 0.00 0.02 0.00 0.00 175.30 176.99 1qbb s ALA 774 N 1.91 3.93 0.00 2.13 0.00 -1.26 -1.87 121.76 126.59 1qbb s ALA 774 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1qbb s ALA 774 Cb -0.16 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1qbb s ALA 774 CO -0.08 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1qbb n GLY 775 N 3.83 1.48 3.71 0.00 0.00 0.45 -4.93 105.19 109.73 1qbb n GLY 775 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1qbb n GLY 775 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qbb s ARG 776 N -0.64 4.51 -0.25 1.61 3.52 -0.78 -4.93 118.95 121.99 1qbb s ARG 776 Ca 0.00 1.61 -0.03 0.00 -0.13 0.00 0.00 55.73 57.18 1qbb s ARG 776 Cb 0.00 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1qbb s ARG 776 CO 0.00 -0.13 -0.02 -2.00 -0.81 0.00 0.00 175.30 172.34 1qbb s GLU 777 N 0.89 3.03 -0.16 5.12 2.12 -1.26 -4.16 118.70 124.29 1qbb s GLU 777 Ca 0.55 -0.86 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 1qbb s GLU 777 Cb -0.26 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1qbb s GLU 777 CO 0.29 -0.36 0.29 0.71 -0.54 0.00 0.00 175.26 175.65 1qbb s TYR 778 N 1.40 3.46 -0.27 5.30 1.51 0.40 -4.94 117.35 124.22 1qbb s TYR 778 Ca 0.02 0.59 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 1qbb s TYR 778 Cb -0.16 -2.33 0.07 0.00 -0.11 0.00 0.00 41.96 39.43 1qbb s TYR 778 CO -0.03 0.24 -0.04 0.15 -1.11 0.00 0.00 175.55 174.77 1qbb s LYS 779 N 0.46 1.67 0.19 -0.62 1.02 -1.26 -0.16 119.74 121.04 1qbb s LYS 779 Ca 0.16 -1.24 -0.33 0.00 0.02 0.00 0.00 55.97 54.58 1qbb s LYS 779 Cb -0.13 -2.72 -0.14 0.00 -0.52 0.00 0.00 37.83 34.32 1qbb s LYS 779 CO 0.04 -0.69 1.41 0.41 -0.92 0.00 0.00 175.35 175.60 1qbb n GLY 780 N 4.55 0.72 3.51 -3.33 0.00 0.58 -1.19 105.19 110.04 1qbb n GLY 780 Ca -0.09 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1qbb n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbb n GLY 781 N 2.48 2.21 0.86 -0.02 0.00 -1.26 -4.71 105.19 104.75 1qbb n GLY 781 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 1qbb n GLY 781 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qbb n GLU 782 N -2.00 0.10 -2.32 1.61 2.13 -0.33 -5.05 120.64 114.77 1qbb n GLU 782 Ca 0.00 0.04 -0.28 0.00 0.66 0.00 0.00 57.16 57.59 1qbb n GLU 782 Cb 0.00 -0.67 0.03 0.00 0.27 0.00 0.00 31.44 31.06 1qbb n GLU 782 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1qbb s THR 783 N -2.13 3.95 -0.32 6.31 -4.23 -0.55 -5.01 115.64 113.65 1qbb s THR 783 Ca -0.06 0.18 0.18 0.00 -1.18 0.00 0.00 61.69 60.80 1qbb s THR 783 Cb 0.02 -3.57 0.46 0.00 1.34 0.00 0.00 72.50 70.75 1qbb s THR 783 CO 0.08 -0.61 0.98 1.41 -0.54 0.00 0.00 174.62 175.93 1qbb n HIS 784 N -2.60 1.30 -0.04 3.99 8.25 -1.26 -4.84 115.22 120.02 1qbb n HIS 784 Ca 0.04 -2.75 -0.14 0.00 -0.26 0.00 0.00 57.72 54.62 1qbb n HIS 784 Cb 0.57 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 31.25 1qbb n HIS 784 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1qbb h PHE 785 N 2.94 0.41 -3.76 4.41 0.04 -1.98 -3.45 116.94 115.55 1qbb h PHE 785 Ca -0.08 -0.14 -0.51 0.00 2.80 0.00 0.00 57.97 60.04 1qbb h PHE 785 Cb 1.18 -0.08 0.02 0.00 2.20 0.00 0.00 35.95 39.27 1qbb h PHE 785 CO 0.52 0.80 0.50 0.08 -0.60 0.00 0.00 178.31 179.62 1qbb s VAL 786 N -4.05 3.42 -1.20 -0.55 1.01 -1.26 -4.94 120.40 112.83 1qbb s VAL 786 Ca -0.14 1.39 -0.19 0.00 0.00 0.00 0.00 61.98 63.04 1qbb s VAL 786 Cb 0.04 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1qbb s VAL 786 CO 0.76 0.31 1.59 -0.62 0.00 0.00 0.00 175.10 177.14 1qbb s ASP 787 N -0.67 6.78 0.38 3.32 -1.08 -1.26 -4.76 116.67 119.38 1qbb s ASP 787 Ca 0.46 -2.27 0.28 0.00 -0.52 0.00 0.00 52.55 50.50 1qbb s ASP 787 Cb -0.33 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.64 1qbb s ASP 787 CO 0.42 -1.18 1.81 0.71 0.52 0.00 0.00 175.17 177.45 1qbb h THR 788 N 5.75 0.00 -0.08 1.71 1.35 -1.95 -2.36 112.91 117.33 1qbb h THR 788 Ca 0.35 -0.44 -0.23 0.00 -0.55 0.00 0.00 66.41 65.54 1qbb h THR 788 Cb 0.91 1.33 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1qbb h THR 788 CO 1.40 0.00 -0.87 1.56 -0.25 0.00 0.00 175.52 177.36 1qbb h GLN 789 N 0.00 0.66 -0.71 4.72 1.08 -2.00 -1.30 115.11 117.56 1qbb h GLN 789 Ca 0.00 -0.61 -0.07 0.00 -1.45 0.00 0.00 58.65 56.53 1qbb h GLN 789 Cb 0.53 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1qbb h GLN 789 CO 0.00 1.21 0.17 0.00 -0.95 0.00 0.00 178.83 179.27 1qbb h ALA 790 N 0.60 0.94 -0.19 3.87 0.00 -1.90 -2.18 119.26 120.39 1qbb h ALA 790 Ca -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1qbb h ALA 790 Cb 1.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1qbb h ALA 790 CO 0.17 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.39 1qbb h LEU 791 N 1.07 0.08 -0.45 0.00 5.85 -1.30 -1.26 115.31 119.29 1qbb h LEU 791 Ca 0.22 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1qbb h LEU 791 Cb 0.37 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1qbb h LEU 791 CO 0.00 0.07 0.17 -0.08 -0.34 0.00 0.00 178.44 178.27 1qbb h GLU 792 N 0.16 0.35 -0.39 1.25 4.81 -1.13 -0.75 114.58 118.87 1qbb h GLU 792 Ca 0.08 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1qbb h GLU 792 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1qbb h GLU 792 CO -0.09 0.23 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.99 1qbb h LYS 793 N 0.36 0.77 -0.23 1.92 1.63 -1.23 -0.27 116.57 119.51 1qbb h LYS 793 Ca 0.21 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1qbb h LYS 793 Cb 0.19 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1qbb h LYS 793 CO -0.20 0.91 0.05 0.22 -3.45 0.00 0.00 179.45 176.98 1qbb h ASP 794 N 0.67 0.36 -0.70 4.20 3.58 -0.81 -2.63 116.42 121.09 1qbb h ASP 794 Ca 0.10 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.26 1qbb h ASP 794 Cb 0.71 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 1qbb h ASP 794 CO 0.05 0.51 0.26 -0.25 -2.88 0.00 0.00 179.24 176.94 1qbb h TRP 795 N 0.19 1.08 -0.88 0.28 2.91 -1.02 -1.98 115.95 116.53 1qbb h TRP 795 Ca 0.07 -0.09 0.04 0.00 1.13 0.00 0.00 58.89 60.04 1qbb h TRP 795 Cb 0.30 -0.32 -0.05 0.00 -0.51 0.00 0.00 29.16 28.58 1qbb h TRP 795 CO 0.02 0.84 0.56 1.25 -1.03 0.00 0.00 178.44 180.08 1qbb h LEU 796 N 1.00 0.93 -0.05 0.65 5.85 -0.91 0.12 115.31 122.89 1qbb h LEU 796 Ca 0.23 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1qbb h LEU 796 Cb 0.24 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1qbb h LEU 796 CO -0.02 0.63 0.00 -0.09 -0.34 0.00 0.00 178.44 178.63 1qbb h ARG 797 N 1.08 0.09 -0.42 1.25 2.43 -1.33 -2.41 114.38 115.06 1qbb h ARG 797 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1qbb h ARG 797 Cb 0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1qbb h ARG 797 CO -0.13 0.35 0.27 0.35 -1.51 0.00 0.00 179.97 179.30 1qbb h PHE 798 N -0.18 0.54 -0.88 2.20 3.57 -0.88 0.18 116.94 121.50 1qbb h PHE 798 Ca 0.02 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1qbb h PHE 798 Cb 0.30 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1qbb h PHE 798 CO 0.02 0.36 0.58 0.00 -2.23 0.00 0.00 178.31 177.04 1qbb h ALA 799 N 1.14 1.38 -0.49 2.41 0.00 -0.84 -0.81 119.26 122.05 1qbb h ALA 799 Ca 0.15 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1qbb h ALA 799 Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1qbb h ALA 799 CO -0.03 0.57 -0.14 -0.91 0.00 0.00 0.00 179.25 178.74 1qbb h ASN 800 N 1.18 0.96 -0.72 0.00 2.35 -1.12 -1.79 115.58 116.45 1qbb h ASN 800 Ca 0.33 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1qbb h ASN 800 Cb -0.12 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 37.95 1qbb h ASN 800 CO -0.07 1.11 0.28 0.40 -1.65 0.00 0.00 177.43 177.49 1qbb h ILE 801 N 0.81 1.25 0.21 2.81 2.04 0.08 -0.45 117.51 124.25 1qbb h ILE 801 Ca 0.12 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1qbb h ILE 801 Cb 0.70 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1qbb h ILE 801 CO 0.05 0.32 -0.14 -0.07 0.00 0.00 0.00 178.15 178.31 1qbb h LEU 802 N 1.04 -0.36 -0.71 1.44 4.07 -1.11 0.23 115.31 119.91 1qbb h LEU 802 Ca 0.24 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.11 1qbb h LEU 802 Cb 0.23 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1qbb h LEU 802 CO -0.02 -0.23 -0.25 1.23 -1.08 0.00 0.00 178.44 178.10 1qbb h GLY 803 N -0.35 0.79 1.00 0.83 0.00 -1.23 -1.31 103.07 102.80 1qbb h GLY 803 Ca -0.02 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 1qbb h GLY 803 CO 0.01 0.62 -1.24 -1.06 0.00 0.00 0.00 176.54 174.87 1qbb n GLN 804 N -4.10 0.61 0.07 4.80 6.02 -0.19 -3.73 117.38 120.86 1qbb n GLN 804 Ca -0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1qbb n GLN 804 Cb 0.44 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1qbb n GLN 804 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1qbb n ARG 805 N -2.81 0.00 -0.03 -1.09 0.63 -0.00 -4.63 116.66 108.73 1qbb n ARG 805 Ca -0.06 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.80 1qbb n ARG 805 Cb 0.73 -0.23 0.10 0.00 0.45 0.00 0.00 32.46 33.50 1qbb n ARG 805 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1qbb h GLU 806 N 0.00 0.64 -0.33 -0.14 4.39 -1.32 -3.18 114.58 114.63 1qbb h GLU 806 Ca 0.00 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1qbb h GLU 806 Cb 0.14 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1qbb h GLU 806 CO 0.00 0.90 0.09 -0.07 -1.16 0.00 0.00 179.01 178.77 1qbb h LEU 807 N 0.54 0.43 -1.77 1.33 3.38 -1.49 0.08 115.31 117.80 1qbb h LEU 807 Ca 0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1qbb h LEU 807 Cb 0.86 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1qbb h LEU 807 CO 0.07 0.42 -0.15 0.00 0.09 0.00 0.00 178.44 178.88 1qbb h ALA 808 N 1.64 1.61 -0.12 1.53 0.00 -1.81 -1.63 119.26 120.49 1qbb h ALA 808 Ca 0.11 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1qbb h ALA 808 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qbb h ALA 808 CO -0.01 0.19 -0.71 0.87 0.00 0.00 0.00 179.25 179.59 1qbb h LYS 809 N 0.00 0.54 -0.52 0.00 1.57 -1.06 -2.61 116.57 114.48 1qbb h LYS 809 Ca -0.00 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 1qbb h LYS 809 Cb 0.29 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1qbb h LYS 809 CO 0.02 1.04 0.06 -0.07 -0.57 0.00 0.00 179.45 179.93 1qbb h LEU 810 N 0.37 0.79 -0.28 2.94 3.38 -0.99 -1.03 115.31 120.50 1qbb h LEU 810 Ca -0.03 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1qbb h LEU 810 Cb 1.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1qbb h LEU 810 CO 0.13 0.83 0.10 0.44 0.09 0.00 0.00 178.44 180.03 1qbb h ASP 811 N 0.79 0.12 0.24 -0.43 3.32 -1.22 -1.99 116.42 117.25 1qbb h ASP 811 Ca 0.16 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1qbb h ASP 811 Cb 0.39 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1qbb h ASP 811 CO 0.01 0.10 -0.23 0.11 -1.72 0.00 0.00 179.24 177.52 1qbb h LYS 812 N 0.23 0.00 -0.03 3.56 1.57 -1.07 -2.79 116.57 118.04 1qbb h LYS 812 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1qbb h LYS 812 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1qbb h LYS 812 CO -0.12 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 1qbb n GLY 813 N -0.85 -0.63 2.12 3.86 0.00 -0.43 -4.92 105.19 104.34 1qbb n GLY 813 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1qbb n GLY 813 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbb n GLY 814 N 0.95 0.65 3.66 -0.02 0.00 -0.94 -4.98 105.19 104.51 1qbb n GLY 814 Ca 0.17 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1qbb n GLY 814 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbb s VAL 815 N -2.17 5.03 -1.41 1.61 1.01 -1.01 -4.98 120.40 118.48 1qbb s VAL 815 Ca 0.00 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.05 1qbb s VAL 815 Cb 0.00 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1qbb s VAL 815 CO 0.00 0.12 2.27 0.00 0.00 0.00 0.00 175.10 177.49 1qbb n ALA 816 N 5.00 6.07 -1.48 5.51 0.00 -1.26 -4.60 120.51 129.75 1qbb n ALA 816 Ca -0.02 -4.00 -0.34 0.00 0.00 0.00 0.00 53.44 49.09 1qbb n ALA 816 Cb 0.50 -3.20 0.06 0.00 0.00 0.00 0.00 19.45 16.81 1qbb n ALA 816 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1qbb s TYR 817 N 1.36 2.43 0.01 0.00 -0.85 -1.26 -2.48 117.35 116.55 1qbb s TYR 817 Ca 0.50 1.57 -0.30 0.00 -0.52 0.00 0.00 57.07 58.31 1qbb s TYR 817 Cb 0.14 -3.28 -0.06 0.00 0.38 0.00 0.00 41.96 39.14 1qbb s TYR 817 CO -0.05 -2.00 1.37 0.50 -1.52 0.00 0.00 175.55 173.85 1qbb s ARG 818 N -3.97 4.30 -0.22 -3.49 3.52 -0.58 -4.85 118.95 113.68 1qbb s ARG 818 Ca 0.70 1.94 -0.16 0.00 -0.13 0.00 0.00 55.73 58.07 1qbb s ARG 818 Cb -0.24 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1qbb s ARG 818 CO 0.42 -0.53 0.42 -0.51 -0.81 0.00 0.00 175.30 174.28 1qbb s LEU 819 N 2.19 4.13 0.47 -0.88 1.43 -1.26 -4.52 118.68 120.24 1qbb s LEU 819 Ca 0.63 0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.00 1qbb s LEU 819 Cb -0.31 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 1qbb s LEU 819 CO 0.27 -0.12 1.20 -2.16 0.23 0.00 0.00 176.35 175.76 1qbb s PRO 820 N 1.54 3.68 0.25 1.29 0.04 -1.26 -4.64 135.00 135.90 1qbb s PRO 820 Ca 0.19 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1qbb s PRO 820 Cb -0.15 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 1qbb s PRO 820 CO 0.08 -0.64 0.93 0.08 0.04 0.00 0.00 177.00 177.49 1qbb s VAL 821 N -1.49 4.11 0.85 -0.36 1.01 -1.26 -4.31 120.40 118.94 1qbb s VAL 821 Ca 0.64 2.02 -0.11 0.00 0.00 0.00 0.00 61.98 64.54 1qbb s VAL 821 Cb -0.31 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 31.91 1qbb s VAL 821 CO 0.37 0.45 1.14 -2.84 0.00 0.00 0.00 175.10 174.23 1qbb s PRO 822 N -1.30 1.49 0.11 2.72 0.02 -1.26 -4.77 135.00 132.00 1qbb s PRO 822 Ca 0.42 1.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.84 1qbb s PRO 822 Cb -0.25 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 1qbb s PRO 822 CO 0.30 -2.27 0.42 0.20 -0.33 0.00 0.00 177.00 175.32 1qbb s GLY 823 N -2.74 2.32 -0.08 0.52 0.00 -0.12 -4.61 107.32 102.61 1qbb s GLY 823 Ca 0.67 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 1qbb s GLY 823 CO 0.55 -0.20 0.67 0.00 0.00 0.00 0.00 173.10 174.13 1qbb s ALA 824 N -1.49 -1.73 0.11 3.20 0.00 -0.78 -1.16 121.76 119.90 1qbb s ALA 824 Ca 0.36 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1qbb s ALA 824 Cb -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1qbb s ALA 824 CO 0.20 -0.36 0.28 -0.98 0.00 0.00 0.00 175.76 174.90 1qbb s ARG 825 N -0.95 0.95 -0.26 0.00 1.70 -0.02 -3.21 118.95 117.16 1qbb s ARG 825 Ca -0.09 -0.87 -0.05 0.00 -0.47 0.00 0.00 55.73 54.24 1qbb s ARG 825 Cb -0.01 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1qbb s ARG 825 CO 0.08 -0.34 0.01 0.08 -1.08 0.00 0.00 175.30 174.06 1qbb s VAL 826 N -3.85 3.57 -0.06 4.99 1.01 -1.26 -1.04 120.40 123.77 1qbb s VAL 826 Ca 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1qbb s VAL 826 Cb 0.04 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1qbb s VAL 826 CO -0.11 0.24 0.13 0.00 0.00 0.00 0.00 175.10 175.36 1qbb s ALA 827 N 1.47 -0.19 -1.40 5.51 0.00 -0.45 -4.87 121.76 121.83 1qbb s ALA 827 Ca 0.03 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 1qbb s ALA 827 Cb -0.16 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1qbb s ALA 827 CO -0.01 -0.21 1.09 0.41 0.00 0.00 0.00 175.76 177.04 1qbb n GLY 828 N 4.37 -0.51 2.70 0.00 0.00 -1.26 -1.48 105.19 109.01 1qbb n GLY 828 Ca -0.24 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qbb n GLY 828 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbb n GLY 829 N -1.83 0.35 3.20 -0.02 0.00 -1.26 -5.01 105.19 100.62 1qbb n GLY 829 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1qbb n GLY 829 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbb s LYS 830 N -0.77 0.90 -0.08 1.61 1.02 -0.55 -1.69 119.74 120.18 1qbb s LYS 830 Ca 0.00 -1.18 -0.28 0.00 0.02 0.00 0.00 55.97 54.53 1qbb s LYS 830 Cb 0.00 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1qbb s LYS 830 CO 0.00 0.11 0.91 -1.17 -0.92 0.00 0.00 175.35 174.28 1qbb s LEU 831 N -2.45 4.28 -0.17 3.17 2.96 -0.04 -1.34 118.68 125.09 1qbb s LEU 831 Ca 0.06 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.40 1qbb s LEU 831 Cb -0.03 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 1qbb s LEU 831 CO 0.01 -0.33 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.90 1qbb s GLU 832 N 1.56 3.34 0.10 1.98 2.12 -0.20 -4.30 118.70 123.30 1qbb s GLU 832 Ca 0.46 -0.68 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1qbb s GLU 832 Cb -0.19 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1qbb s GLU 832 CO 0.20 0.02 -0.15 0.00 -0.54 0.00 0.00 175.26 174.79 1qbb s ALA 833 N 0.85 1.36 0.32 6.30 0.00 -1.26 -0.84 121.76 128.49 1qbb s ALA 833 Ca -0.03 -1.15 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1qbb s ALA 833 Cb -0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1qbb s ALA 833 CO 0.00 0.15 0.43 0.54 0.00 0.00 0.00 175.76 176.89 1qbb s ASN 834 N -2.07 0.82 0.04 0.00 2.20 -0.31 -4.97 114.94 110.65 1qbb s ASN 834 Ca 0.03 -1.44 -0.18 0.00 -0.94 0.00 0.00 52.86 50.33 1qbb s ASN 834 Cb -0.08 0.62 0.03 0.00 -2.00 0.00 0.00 41.25 39.83 1qbb s ASN 834 CO 0.03 -1.22 0.40 -0.51 -2.94 0.00 0.00 177.10 172.86 1qbb s ILE 835 N -3.28 0.06 0.25 0.54 2.07 -1.26 -0.94 121.20 118.63 1qbb s ILE 835 Ca 0.31 -0.46 0.31 0.00 -1.41 0.00 0.00 60.65 59.40 1qbb s ILE 835 Cb 0.00 -0.93 0.33 0.00 0.13 0.00 0.00 42.46 42.00 1qbb s ILE 835 CO 0.19 -0.26 2.01 0.00 -1.91 0.00 0.00 174.94 174.97 1qbb h ALA 836 N 3.08 1.07 -2.90 1.50 0.00 -1.94 -3.35 119.26 116.73 1qbb h ALA 836 Ca -0.31 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 1qbb h ALA 836 Cb 1.20 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 1qbb h ALA 836 CO 0.43 0.11 -0.73 -0.51 0.00 0.00 0.00 179.25 178.56 1qbb s LEU 837 N -6.60 3.25 0.18 0.00 1.43 -1.26 -4.89 118.68 110.79 1qbb s LEU 837 Ca -0.01 -3.19 -0.33 0.00 -1.03 0.00 0.00 54.13 49.57 1qbb s LEU 837 Cb 0.11 -1.15 -0.14 0.00 0.03 0.00 0.00 46.19 45.04 1qbb s LEU 837 CO 0.56 -0.18 1.41 -2.65 0.23 0.00 0.00 176.35 175.72 1qbb n PRO 838 N 2.79 1.77 0.00 1.29 -0.02 -1.24 -2.90 135.00 136.69 1qbb n PRO 838 Ca 0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1qbb n PRO 838 Cb 0.38 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1qbb n PRO 838 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qbb n GLY 839 N 2.59 1.58 3.75 -1.23 0.00 -1.26 -3.47 105.19 107.15 1qbb n GLY 839 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1qbb n GLY 839 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qbb s LEU 840 N 0.00 3.57 0.47 0.99 1.43 -1.14 -4.67 118.68 119.32 1qbb s LEU 840 Ca 0.00 2.31 -0.21 0.00 -1.03 0.00 0.00 54.13 55.20 1qbb s LEU 840 Cb 0.00 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.55 1qbb s LEU 840 CO 0.00 -1.70 1.06 -0.83 0.23 0.00 0.00 176.35 175.11 1qbb s GLY 841 N -1.83 2.60 -0.03 -3.19 0.00 -1.25 -4.94 107.32 98.69 1qbb s GLY 841 Ca 0.75 0.68 0.05 0.00 0.00 0.00 0.00 44.72 46.20 1qbb s GLY 841 CO 0.36 1.04 -0.18 -0.42 0.00 0.00 0.00 173.10 173.90 1qbb s ILE 842 N -1.84 1.42 0.11 0.90 1.01 -1.26 -1.83 121.20 119.71 1qbb s ILE 842 Ca 0.65 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.64 1qbb s ILE 842 Cb -0.19 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1qbb s ILE 842 CO 0.24 0.41 -0.19 -1.61 0.00 0.00 0.00 174.94 173.78 1qbb s GLU 843 N -0.19 1.12 0.11 2.79 2.02 0.52 -1.29 118.70 123.78 1qbb s GLU 843 Ca 0.01 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 53.83 1qbb s GLU 843 Cb -0.09 -1.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 1qbb s GLU 843 CO 0.01 0.29 -0.09 1.52 0.02 0.00 0.00 175.26 177.01 1qbb s TYR 844 N -1.45 1.04 -0.05 1.61 1.13 -0.74 -0.58 117.35 118.31 1qbb s TYR 844 Ca 0.08 -0.79 -0.02 0.00 -1.41 0.00 0.00 57.07 54.93 1qbb s TYR 844 Cb -0.09 -0.57 0.03 0.00 -1.10 0.00 0.00 41.96 40.24 1qbb s TYR 844 CO 0.04 -0.04 0.10 0.45 -2.51 0.00 0.00 175.55 173.60 1qbb s SER 845 N -2.89 -0.06 0.00 -0.18 0.15 -0.54 -1.60 113.70 108.58 1qbb s SER 845 Ca 0.11 0.20 0.12 0.00 0.70 0.00 0.00 55.95 57.08 1qbb s SER 845 Cb 0.02 0.11 0.31 0.00 -1.71 0.00 0.00 66.02 64.76 1qbb s SER 845 CO -0.02 -0.11 1.23 0.35 1.20 0.00 0.00 173.24 175.89 1qbb n THR 846 N 3.92 0.84 -1.34 6.45 -2.24 -1.26 -1.52 114.28 119.13 1qbb n THR 846 Ca -0.23 -0.92 0.08 0.00 -2.27 0.00 0.00 64.05 60.70 1qbb n THR 846 Cb 0.53 0.62 0.17 0.00 -2.10 0.00 0.00 70.33 69.55 1qbb n THR 846 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qbb n ASP 847 N 0.67 2.00 0.00 3.42 5.68 -1.26 -4.81 116.55 122.25 1qbb n ASP 847 Ca 0.12 -3.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.01 1qbb n ASP 847 Cb 0.43 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1qbb n ASP 847 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qbb n GLY 848 N -1.24 0.69 1.75 6.12 0.00 -1.26 -4.27 105.19 106.98 1qbb n GLY 848 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1qbb n GLY 848 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbb n GLY 849 N -2.49 0.50 0.11 -0.02 0.00 -1.26 -4.97 105.19 97.07 1qbb n GLY 849 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1qbb n GLY 849 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qbb n LYS 850 N -2.13 0.56 -4.67 1.61 4.76 -1.26 -4.89 118.16 112.14 1qbb n LYS 850 Ca 0.00 0.49 -0.33 0.00 -2.87 0.00 0.00 58.31 55.60 1qbb n LYS 850 Cb 0.17 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.55 1qbb n LYS 850 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qbb s GLN 851 N -2.40 3.42 -0.03 1.97 -1.52 -1.26 -5.12 119.66 114.72 1qbb s GLN 851 Ca -0.31 -0.63 0.04 0.00 -1.95 0.00 0.00 55.36 52.52 1qbb s GLN 851 Cb 0.08 -2.70 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 1qbb s GLN 851 CO 0.54 0.26 -0.14 -1.58 -0.25 0.00 0.00 175.29 174.12 1qbb s TRP 852 N 0.27 2.70 0.08 0.91 0.52 -1.26 -4.43 118.94 117.71 1qbb s TRP 852 Ca -0.07 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 55.95 1qbb s TRP 852 Cb -0.15 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1qbb s TRP 852 CO 0.05 0.22 -0.18 -0.65 0.02 0.00 0.00 176.95 176.40 1qbb s GLN 853 N -0.94 1.06 0.07 4.98 -0.21 -0.63 -4.97 119.66 119.02 1qbb s GLN 853 Ca 0.13 -1.02 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 1qbb s GLN 853 Cb -0.11 -1.20 -0.05 0.00 1.00 0.00 0.00 33.01 32.65 1qbb s GLN 853 CO 0.02 0.28 1.10 1.03 -2.12 0.00 0.00 175.29 175.60 1qbb s ARG 854 N -1.65 4.52 -0.03 2.91 0.52 -1.26 -1.79 118.95 122.18 1qbb s ARG 854 Ca 0.04 1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 56.59 1qbb s ARG 854 Cb -0.10 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1qbb s ARG 854 CO 0.03 -0.09 0.93 -0.47 0.02 0.00 0.00 175.30 175.72 1qbb s TYR 855 N 0.69 3.62 -0.22 -0.53 5.04 -0.41 -4.92 117.35 120.62 1qbb s TYR 855 Ca 0.54 1.60 -0.03 0.00 -2.44 0.00 0.00 57.07 56.74 1qbb s TYR 855 Cb -0.26 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1qbb s TYR 855 CO 0.30 -0.03 -0.07 0.34 -1.34 0.00 0.00 175.55 174.75 1qbb s ASP 856 N 0.99 4.10 0.53 4.32 -1.08 -1.26 -4.72 116.67 119.55 1qbb s ASP 856 Ca 0.49 -0.51 0.26 0.00 -0.52 0.00 0.00 52.55 52.26 1qbb s ASP 856 Cb -0.20 -1.68 1.48 0.00 -1.46 0.00 0.00 42.92 41.06 1qbb s ASP 856 CO 0.25 -0.04 2.11 0.00 0.52 0.00 0.00 175.17 178.01 1qbb h ALA 857 N 8.07 1.42 -0.28 3.66 0.00 -1.97 -2.16 119.26 128.00 1qbb h ALA 857 Ca -0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qbb h ALA 857 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1qbb h ALA 857 CO 0.61 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.61 1qbb n LYS 858 N -3.81 2.24 -2.98 0.00 5.02 -1.26 -4.21 118.16 113.16 1qbb n LYS 858 Ca -0.02 -1.86 -0.14 0.00 -2.02 0.00 0.00 58.31 54.26 1qbb n LYS 858 Cb 0.19 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1qbb n LYS 858 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qbb n ALA 859 N 1.10 0.70 -1.56 7.82 0.00 -0.83 -5.13 120.51 122.60 1qbb n ALA 859 Ca 0.18 -2.50 -0.40 0.00 0.00 0.00 0.00 53.44 50.72 1qbb n ALA 859 Cb 0.52 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.96 1qbb n ALA 859 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qbb n LYS 860 N 0.37 0.96 -3.14 0.00 5.02 -1.09 -4.57 118.16 115.70 1qbb n LYS 860 Ca 0.16 0.35 -0.39 0.00 -2.02 0.00 0.00 58.31 56.42 1qbb n LYS 860 Cb 0.67 -1.95 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 1qbb n LYS 860 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qbb s PRO 861 N -2.20 4.37 0.13 1.97 0.04 -1.26 -4.91 135.00 133.14 1qbb s PRO 861 Ca 0.68 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1qbb s PRO 861 Cb -0.50 -3.30 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 1qbb s PRO 861 CO 0.54 0.46 1.06 0.00 0.04 0.00 0.00 177.00 179.10 1qbb s ALA 862 N -0.59 3.32 0.01 8.56 0.00 -1.26 -0.86 121.76 130.95 1qbb s ALA 862 Ca 0.33 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1qbb s ALA 862 Cb -0.20 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1qbb s ALA 862 CO 0.20 -0.18 -0.03 0.08 0.00 0.00 0.00 175.76 175.83 1qbb s VAL 863 N 0.07 0.20 -0.09 0.00 1.01 -0.68 -4.89 120.40 116.02 1qbb s VAL 863 Ca 0.50 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1qbb s VAL 863 Cb -0.27 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1qbb s VAL 863 CO 0.32 -0.23 0.24 -0.94 0.00 0.00 0.00 175.10 174.48 1qbb s SER 864 N -0.84 -0.25 0.00 3.32 1.04 -1.26 -4.66 113.70 111.05 1qbb s SER 864 Ca -0.07 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1qbb s SER 864 Cb -0.06 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1qbb s SER 864 CO -0.00 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1qbb n GLY 865 N 3.36 -1.26 3.71 7.32 0.00 -1.26 -4.86 105.19 112.19 1qbb n GLY 865 Ca -0.17 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1qbb n GLY 865 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qbb s GLU 866 N 0.00 4.29 0.05 1.61 2.12 -1.26 -5.02 118.70 120.49 1qbb s GLU 866 Ca 0.00 2.09 0.09 0.00 0.36 0.00 0.00 54.97 57.51 1qbb s GLU 866 Cb 0.00 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1qbb s GLU 866 CO 0.00 -0.51 -0.25 0.08 -0.54 0.00 0.00 175.26 174.04 1qbb s VAL 867 N 1.60 2.03 0.12 3.70 1.01 -1.26 -4.55 120.40 123.04 1qbb s VAL 867 Ca 0.66 -1.36 0.10 0.00 0.00 0.00 0.00 61.98 61.38 1qbb s VAL 867 Cb -0.36 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1qbb s VAL 867 CO 0.30 0.31 -0.25 -1.10 0.00 0.00 0.00 175.10 174.36 1qbb s GLN 868 N -1.27 1.54 0.12 2.72 -0.21 -0.57 -0.43 119.66 121.56 1qbb s GLN 868 Ca 0.11 -1.28 0.06 0.00 0.02 0.00 0.00 55.36 54.27 1qbb s GLN 868 Cb -0.10 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 1qbb s GLN 868 CO 0.02 0.47 -0.16 0.14 -2.12 0.00 0.00 175.29 173.64 1qbb s VAL 869 N -1.05 1.41 0.07 1.09 -7.23 0.17 -1.46 120.40 113.40 1qbb s VAL 869 Ca 0.15 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 1qbb s VAL 869 Cb -0.10 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.36 1qbb s VAL 869 CO 0.06 -0.32 0.33 0.00 -0.31 0.00 0.00 175.10 174.86 1qbb s ARG 870 N -2.43 0.89 0.28 4.82 1.70 0.25 -2.19 118.95 122.28 1qbb s ARG 870 Ca 0.08 -0.58 0.06 0.00 -0.47 0.00 0.00 55.73 54.81 1qbb s ARG 870 Cb -0.07 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1qbb s ARG 870 CO 0.03 -0.31 0.36 -1.54 -1.08 0.00 0.00 175.30 172.76 1qbb s SER 871 N -2.33 5.92 -0.01 -2.89 1.04 -1.26 -0.36 113.70 113.82 1qbb s SER 871 Ca -0.02 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1qbb s SER 871 Cb 0.01 -1.46 -0.01 0.00 0.10 0.00 0.00 66.02 64.66 1qbb s SER 871 CO -0.06 -0.22 -0.10 0.54 0.98 0.00 0.00 173.24 174.38 1qbb s VAL 872 N -2.11 0.78 0.84 5.02 0.11 -0.76 -1.28 120.40 122.99 1qbb s VAL 872 Ca 0.38 -0.42 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 1qbb s VAL 872 Cb -0.08 -0.65 0.10 0.00 -1.53 0.00 0.00 36.38 34.22 1qbb s VAL 872 CO 0.29 0.22 1.12 -0.94 -3.33 0.00 0.00 175.10 172.46 1qbb s SER 873 N -0.21 3.70 0.41 3.54 1.04 -0.02 -3.74 113.70 118.42 1qbb s SER 873 Ca 0.03 2.01 0.13 0.00 0.48 0.00 0.00 55.95 58.61 1qbb s SER 873 Cb -0.04 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.52 1qbb s SER 873 CO -0.00 -2.58 1.93 -0.65 0.98 0.00 0.00 173.24 172.91 1qbb h PRO 874 N -1.50 0.47 -0.00 4.02 0.11 -1.91 -0.34 132.00 132.85 1qbb h PRO 874 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qbb h PRO 874 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qbb h PRO 874 CO 0.46 0.31 -0.06 -0.40 -0.21 0.00 0.00 178.00 178.10 1qbb n ASP 875 N -4.49 0.27 0.00 -2.05 5.68 -1.26 -4.94 116.55 109.75 1qbb n ASP 875 Ca 0.13 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 1qbb n ASP 875 Cb 0.46 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1qbb n ASP 875 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qbb n GLY 876 N 1.26 0.50 0.06 6.12 0.00 -0.14 -4.94 105.19 108.05 1qbb n GLY 876 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1qbb n GLY 876 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qbb n LYS 877 N -2.59 0.65 -4.42 1.61 5.02 -1.26 -4.89 118.16 112.28 1qbb n LYS 877 Ca 0.00 -0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 1qbb n LYS 877 Cb 0.04 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.30 1qbb n LYS 877 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qbb s ARG 878 N -3.19 1.24 0.11 1.97 0.52 -1.26 -5.02 118.95 113.32 1qbb s ARG 878 Ca -0.06 -1.10 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 1qbb s ARG 878 Cb 0.11 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.08 1qbb s ARG 878 CO 0.86 0.35 -0.17 0.71 0.02 0.00 0.00 175.30 177.07 1qbb s TYR 879 N -1.03 1.58 1.07 -0.53 2.02 -1.26 -0.84 117.35 118.35 1qbb s TYR 879 Ca 0.07 -0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 56.13 1qbb s TYR 879 Cb -0.10 -0.84 0.23 0.00 -0.40 0.00 0.00 41.96 40.85 1qbb s TYR 879 CO 0.03 0.19 1.18 -1.54 -1.57 0.00 0.00 175.55 173.84 1qbb s SER 880 N -2.18 2.15 0.63 2.29 1.04 -0.41 -4.90 113.70 112.32 1qbb s SER 880 Ca 0.07 0.62 -0.17 0.00 0.48 0.00 0.00 55.95 56.95 1qbb s SER 880 Cb -0.08 -0.89 -0.01 0.00 0.10 0.00 0.00 66.02 65.14 1qbb s SER 880 CO 0.04 -3.36 1.20 0.00 0.98 0.00 0.00 173.24 172.09 1qbb s ARG 881 N -5.50 2.76 -0.06 4.02 1.70 -1.26 -4.66 118.95 115.95 1qbb s ARG 881 Ca 0.70 1.76 -0.14 0.00 -0.47 0.00 0.00 55.73 57.58 1qbb s ARG 881 Cb -0.09 -1.91 -0.05 0.00 -0.57 0.00 0.00 34.95 32.32 1qbb s ARG 881 CO 0.55 -1.35 0.36 0.00 -1.08 0.00 0.00 175.30 173.77 1qbb s ALA 882 N -1.77 3.68 0.06 7.88 0.00 -1.26 -4.64 121.76 125.71 1qbb s ALA 882 Ca 0.75 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1qbb s ALA 882 Cb -0.29 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 1qbb s ALA 882 CO 0.37 0.38 -0.12 -1.21 0.00 0.00 0.00 175.76 175.18 1qbb s GLU 883 N -0.63 0.74 0.07 0.00 2.02 -0.93 -4.96 118.70 115.01 1qbb s GLU 883 Ca 0.22 -0.91 -0.23 0.00 0.02 0.00 0.00 54.97 54.07 1qbb s GLU 883 Cb -0.15 -0.67 -0.06 0.00 0.10 0.00 0.00 34.13 33.34 1qbb s GLU 883 CO 0.10 0.14 0.69 0.15 0.02 0.00 0.00 175.26 176.36 1qbb s LYS 884 N -1.72 4.41 0.00 1.61 3.01 -1.26 -0.65 119.74 125.14 1qbb s LYS 884 Ca -0.04 0.95 0.29 0.00 -1.01 0.00 0.00 55.97 56.16 1qbb s LYS 884 Cb -0.10 -3.31 1.75 0.00 -1.01 0.00 0.00 37.83 35.16 1qbb s LYS 884 CO 0.02 0.45 2.08 0.28 0.51 0.00 0.00 175.35 178.69