#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtb s ARG 40 N 0.00 2.96 0.92 1.09 1.70 -1.26 -5.02 118.95 119.34 2qtb s ARG 40 Ca 0.00 1.68 -0.13 0.00 -0.47 0.00 0.00 55.73 56.81 2qtb s ARG 40 Cb 0.00 -1.94 0.15 0.00 -0.57 0.00 0.00 34.95 32.58 2qtb s ARG 40 CO 0.00 -1.18 1.14 -1.59 -1.08 0.00 0.00 175.30 172.59 2qtb s LYS 41 N -3.52 1.03 0.46 3.89 -2.85 -1.21 -4.71 119.74 112.83 2qtb s LYS 41 Ca 0.74 0.25 0.07 0.00 -1.00 0.00 0.00 55.97 56.03 2qtb s LYS 41 Cb -0.27 -1.83 -0.01 0.00 -2.06 0.00 0.00 37.83 33.67 2qtb s LYS 41 CO 0.34 -2.27 0.36 0.95 0.10 0.00 0.00 175.35 174.83 2qtb s THR 42 N -3.29 2.28 -0.42 3.79 -4.23 -1.26 -0.56 115.64 111.95 2qtb s THR 42 Ca 0.64 -1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 59.47 2qtb s THR 42 Cb -0.14 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.99 2qtb s THR 42 CO 0.53 0.00 0.81 -0.47 -0.54 0.00 0.00 174.62 174.96 2qtb s TYR 43 N -2.59 3.02 0.62 3.99 5.04 -1.26 -4.85 117.35 121.33 2qtb s TYR 43 Ca 0.43 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.43 2qtb s TYR 43 Cb -0.02 -3.62 0.08 0.00 0.35 0.00 0.00 41.96 38.76 2qtb s TYR 43 CO 0.25 -0.91 0.86 0.95 -1.34 0.00 0.00 175.55 175.36 2qtb s THR 44 N 3.31 2.36 0.17 4.34 -4.23 -1.26 -3.81 115.64 116.51 2qtb s THR 44 Ca 0.32 -0.71 -0.10 0.00 -1.18 0.00 0.00 61.69 60.02 2qtb s THR 44 Cb -0.12 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.09 2qtb s THR 44 CO 0.21 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 176.13 2qtb h LEU 45 N -0.15 1.04 -1.08 4.79 5.85 -1.95 -2.21 115.31 121.60 2qtb h LEU 45 Ca -0.37 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 57.96 2qtb h LEU 45 Cb 1.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2qtb h LEU 45 CO 0.44 1.15 0.27 0.74 -0.34 0.00 0.00 178.44 180.70 2qtb h THR 46 N 0.91 1.22 -0.73 1.05 2.02 -1.98 -0.15 112.91 115.25 2qtb h THR 46 Ca 0.14 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2qtb h THR 46 Cb 0.69 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2qtb h THR 46 CO 0.05 0.27 0.43 0.44 0.37 0.00 0.00 175.52 177.09 2qtb h ASP 47 N 0.91 0.88 -0.09 4.18 3.45 -1.82 0.19 116.42 124.12 2qtb h ASP 47 Ca 0.22 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 2qtb h ASP 47 Cb 0.15 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.70 2qtb h ASP 47 CO -0.02 0.69 0.01 0.22 -1.57 0.00 0.00 179.24 178.57 2qtb h TYR 48 N 1.00 0.17 -0.32 4.55 3.20 -0.82 -1.79 116.97 122.95 2qtb h TYR 48 Ca 0.26 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 2qtb h TYR 48 Cb -0.02 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2qtb h TYR 48 CO -0.01 0.38 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.61 2qtb h LEU 49 N -0.10 0.60 -2.49 2.82 3.38 -0.75 -3.06 115.31 115.71 2qtb h LEU 49 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2qtb h LEU 49 Cb 0.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2qtb h LEU 49 CO 0.00 0.81 0.00 0.29 0.09 0.00 0.00 178.44 179.63 2qtb n LYS 50 N -4.13 2.58 -3.90 1.13 4.76 0.63 -4.97 118.16 114.26 2qtb n LYS 50 Ca 0.00 -2.44 -0.27 0.00 -2.87 0.00 0.00 58.31 52.73 2qtb n LYS 50 Cb 0.40 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 2qtb n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qtb n ASN 51 N 1.52 -2.58 -0.14 4.39 3.02 -0.74 -4.86 115.26 115.87 2qtb n ASN 51 Ca 0.22 -0.87 0.04 0.00 -0.03 0.00 0.00 54.58 53.94 2qtb n ASN 51 Cb 0.59 -3.62 0.34 0.00 -0.61 0.00 0.00 39.78 36.48 2qtb n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2qtb h THR 52 N -1.90 1.10 -3.49 3.41 2.02 -1.67 -3.35 112.91 109.04 2qtb h THR 52 Ca -0.60 -0.27 -0.70 0.00 0.77 0.00 0.00 66.41 65.61 2qtb h THR 52 Cb 1.37 0.25 -0.34 0.00 -1.74 0.00 0.00 68.15 67.69 2qtb h THR 52 CO 0.64 0.14 -0.48 -0.31 0.37 0.00 0.00 175.52 175.88 2qtb s TYR 53 N -5.68 3.53 -0.11 3.16 2.02 -1.26 -5.08 117.35 113.93 2qtb s TYR 53 Ca -0.10 -2.46 -0.13 0.00 -0.37 0.00 0.00 57.07 54.01 2qtb s TYR 53 Cb 0.18 -3.24 -0.05 0.00 -0.40 0.00 0.00 41.96 38.45 2qtb s TYR 53 CO 0.76 -0.94 0.32 0.50 -1.57 0.00 0.00 175.55 174.62 2qtb s ARG 54 N 0.81 4.06 0.11 -0.62 3.52 -1.26 -5.06 118.95 120.52 2qtb s ARG 54 Ca 0.11 0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 2qtb s ARG 54 Cb -0.22 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 2qtb s ARG 54 CO -0.04 0.43 0.96 -0.51 -0.81 0.00 0.00 175.30 175.33 2qtb s LEU 55 N -0.13 4.50 0.16 -0.88 1.43 -1.26 -4.80 118.68 117.69 2qtb s LEU 55 Ca 0.19 1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 2qtb s LEU 55 Cb -0.14 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 2qtb s LEU 55 CO 0.07 -0.07 0.50 -0.54 0.23 0.00 0.00 176.35 176.54 2qtb s LYS 56 N 0.01 3.84 0.44 1.70 1.02 -1.26 -5.09 119.74 120.40 2qtb s LYS 56 Ca 0.47 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.78 2qtb s LYS 56 Cb -0.23 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2qtb s LYS 56 CO 0.30 0.44 0.05 1.28 -0.92 0.00 0.00 175.35 176.49 2qtb n LEU 57 N 0.44 0.00 -3.04 3.17 4.32 -1.26 -4.88 117.00 115.76 2qtb n LEU 57 Ca -0.04 -2.94 -0.15 0.00 -0.02 0.00 0.00 56.01 52.87 2qtb n LEU 57 Cb 0.52 0.54 -0.04 0.00 -1.62 0.00 0.00 43.42 42.83 2qtb n LEU 57 CO 0.44 -0.43 -0.08 0.00 -1.22 0.00 0.00 177.39 176.10 2qtb n TYR 58 N -1.07 -2.43 -2.86 -1.77 9.36 -1.26 -4.97 117.16 112.16 2qtb n TYR 58 Ca -0.15 -2.31 -0.43 0.00 3.32 0.00 0.00 57.90 58.34 2qtb n TYR 58 Cb 0.59 0.89 -0.04 0.00 -0.63 0.00 0.00 39.34 40.14 2qtb n TYR 58 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2qtb s SER 59 N 0.23 6.29 0.36 2.98 0.01 -1.26 -5.03 113.70 117.28 2qtb s SER 59 Ca 0.32 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 57.10 2qtb s SER 59 Cb 0.04 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2qtb s SER 59 CO -0.13 -1.27 0.28 -1.48 0.41 0.00 0.00 173.24 171.06 2qtb s LEU 60 N 3.91 3.44 -0.17 2.44 0.05 -1.26 -4.60 118.68 122.50 2qtb s LEU 60 Ca 0.27 -0.66 -0.01 0.00 0.05 0.00 0.00 54.13 53.78 2qtb s LEU 60 Cb -0.14 -2.03 0.05 0.00 -2.05 0.00 0.00 46.19 42.02 2qtb s LEU 60 CO 0.16 -0.44 -0.01 -0.13 -0.55 0.00 0.00 176.35 175.38 2qtb s ARG 61 N -4.00 1.06 0.08 1.48 0.52 0.14 -4.94 118.95 113.29 2qtb s ARG 61 Ca 0.42 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.89 2qtb s ARG 61 Cb -0.04 -1.94 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 2qtb s ARG 61 CO 0.26 -0.50 1.45 -1.58 0.02 0.00 0.00 175.30 174.95 2qtb s TRP 62 N 1.74 3.00 -0.59 -0.53 0.52 -1.26 0.02 118.94 121.83 2qtb s TRP 62 Ca 0.00 0.79 0.10 0.00 0.02 0.00 0.00 56.10 57.01 2qtb s TRP 62 Cb -0.16 -3.74 -0.08 0.00 -1.15 0.00 0.00 33.47 28.35 2qtb s TRP 62 CO -0.07 -2.70 0.47 0.44 0.02 0.00 0.00 176.95 175.11 2qtb n ILE 63 N 4.27 0.00 -2.56 2.03 -5.35 -0.80 -4.92 119.36 112.03 2qtb n ILE 63 Ca 0.13 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2qtb n ILE 63 Cb 0.42 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 2qtb n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2qtb n SER 64 N -0.95 0.00 -0.23 7.28 3.41 -1.19 -4.98 113.62 116.96 2qtb n SER 64 Ca 0.03 -0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.31 2qtb n SER 64 Cb 0.17 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.56 2qtb n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qtb n ASP 65 N -0.41 0.94 0.00 4.04 2.03 -1.26 -2.19 116.55 119.69 2qtb n ASP 65 Ca 0.00 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.45 2qtb n ASP 65 Cb 0.00 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 2qtb n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2qtb n HIS 66 N -0.66 0.00 -4.19 -0.67 -0.00 -1.26 -4.46 115.22 103.98 2qtb n HIS 66 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.74 2qtb n HIS 66 Cb 0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.22 2qtb n HIS 66 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2qtb s GLU 67 N -0.96 0.91 0.06 -0.41 2.02 -1.26 -1.19 118.70 117.87 2qtb s GLU 67 Ca 0.00 -1.39 -0.07 0.00 0.02 0.00 0.00 54.97 53.53 2qtb s GLU 67 Cb 0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 34.13 34.02 2qtb s GLU 67 CO 0.00 -0.06 0.15 1.52 0.02 0.00 0.00 175.26 176.89 2qtb s TYR 68 N -3.65 0.17 -0.13 1.61 -0.85 -0.69 -1.90 117.35 111.91 2qtb s TYR 68 Ca 0.15 -0.53 -0.07 0.00 -0.52 0.00 0.00 57.07 56.10 2qtb s TYR 68 Cb 0.06 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 2qtb s TYR 68 CO -0.02 -0.45 0.14 -0.51 -1.52 0.00 0.00 175.55 173.18 2qtb s LEU 69 N -2.48 4.35 -0.08 -3.49 1.43 0.10 -0.36 118.68 118.16 2qtb s LEU 69 Ca 0.00 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2qtb s LEU 69 Cb 0.02 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.22 2qtb s LEU 69 CO -0.07 0.38 0.16 -0.47 0.23 0.00 0.00 176.35 176.57 2qtb s TYR 70 N -0.82 -0.19 -0.24 0.29 5.04 -0.52 -0.68 117.35 120.22 2qtb s TYR 70 Ca 0.14 0.57 -0.25 0.00 -2.44 0.00 0.00 57.07 55.09 2qtb s TYR 70 Cb -0.12 -0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.03 2qtb s TYR 70 CO 0.03 -0.22 0.86 0.21 -1.34 0.00 0.00 175.55 175.09 2qtb s LYS 71 N 1.74 4.18 -0.02 4.97 2.20 -1.26 -1.18 119.74 130.37 2qtb s LYS 71 Ca -0.03 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.59 2qtb s LYS 71 Cb -0.12 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2qtb s LYS 71 CO -0.06 -0.55 -0.10 -1.14 -0.36 0.00 0.00 175.35 173.14 2qtb s GLN 72 N 2.91 0.97 -1.36 4.03 0.74 0.30 -4.78 119.66 122.47 2qtb s GLN 72 Ca 0.36 -0.35 -0.08 0.00 0.05 0.00 0.00 55.36 55.35 2qtb s GLN 72 Cb -0.15 -0.91 0.05 0.00 1.10 0.00 0.00 33.01 33.10 2qtb s GLN 72 CO 0.07 0.16 0.53 0.39 -0.55 0.00 0.00 175.29 175.89 2qtb n GLU 73 N 3.12 -3.86 -0.32 1.67 1.02 -1.26 0.13 120.64 121.13 2qtb n GLU 73 Ca -0.17 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2qtb n GLU 73 Cb 0.55 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 2qtb n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qtb n ASN 74 N -2.36 0.00 -4.89 1.62 3.02 -1.26 -4.84 115.26 106.55 2qtb n ASN 74 Ca -0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 2qtb n ASN 74 Cb 0.56 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 2qtb n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qtb s ASN 75 N -2.90 6.54 -0.28 6.41 0.01 0.34 -4.31 114.94 120.75 2qtb s ASN 75 Ca 0.00 0.71 -0.09 0.00 -0.71 0.00 0.00 52.86 52.77 2qtb s ASN 75 Cb 0.00 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 2qtb s ASN 75 CO 0.00 0.00 0.12 -0.63 -1.51 0.00 0.00 177.10 175.08 2qtb s ILE 76 N -1.73 4.57 0.17 0.60 1.01 -0.84 0.11 121.20 125.10 2qtb s ILE 76 Ca 0.43 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2qtb s ILE 76 Cb -0.12 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2qtb s ILE 76 CO 0.24 0.22 0.05 -0.76 0.00 0.00 0.00 174.94 174.69 2qtb s LEU 77 N 1.63 3.51 -0.15 2.97 1.43 -0.33 0.12 118.68 127.87 2qtb s LEU 77 Ca 0.06 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2qtb s LEU 77 Cb -0.16 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2qtb s LEU 77 CO 0.06 0.08 -0.11 0.54 0.23 0.00 0.00 176.35 177.15 2qtb s VAL 78 N -1.75 3.16 0.03 -1.59 0.11 -0.01 -1.44 120.40 118.91 2qtb s VAL 78 Ca 0.29 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2qtb s VAL 78 Cb -0.09 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2qtb s VAL 78 CO 0.21 0.50 -0.07 -0.36 -3.33 0.00 0.00 175.10 172.05 2qtb s PHE 79 N 0.57 2.85 -0.28 1.54 0.08 0.51 -1.89 117.98 121.37 2qtb s PHE 79 Ca -0.07 -0.07 -0.13 0.00 0.12 0.00 0.00 56.93 56.78 2qtb s PHE 79 Cb -0.15 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2qtb s PHE 79 CO 0.03 0.38 0.29 1.21 -0.10 0.00 0.00 175.22 177.04 2qtb s ASN 80 N -1.62 6.15 0.21 1.36 3.84 -0.44 -1.70 114.94 122.74 2qtb s ASN 80 Ca 0.18 0.11 -0.08 0.00 0.21 0.00 0.00 52.86 53.28 2qtb s ASN 80 Cb -0.11 -2.17 0.16 0.00 -0.55 0.00 0.00 41.25 38.57 2qtb s ASN 80 CO 0.09 -0.14 1.78 0.00 -2.79 0.00 0.00 177.10 176.04 2qtb h ALA 81 N 8.28 1.03 -0.25 1.71 0.00 -1.48 0.65 119.26 129.21 2qtb h ALA 81 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qtb h ALA 81 Cb 1.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2qtb h ALA 81 CO 0.61 0.66 0.16 1.49 0.00 0.00 0.00 179.25 182.17 2qtb h GLU 82 N 1.15 0.32 0.00 0.00 4.57 -1.94 -3.33 114.58 115.35 2qtb h GLU 82 Ca 0.26 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2qtb h GLU 82 Cb 0.21 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2qtb h GLU 82 CO -0.02 0.21 -1.28 0.66 -1.18 0.00 0.00 179.01 177.41 2qtb n TYR 83 N -4.92 0.00 -0.06 0.92 4.02 -1.22 -5.00 117.16 110.91 2qtb n TYR 83 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2qtb n TYR 83 Cb 0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 2qtb n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qtb n GLY 84 N 1.52 1.84 3.77 2.72 0.00 0.22 -5.03 105.19 110.23 2qtb n GLY 84 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qtb n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtb s ASN 85 N -3.27 5.52 0.38 1.61 4.22 -1.25 -4.69 114.94 117.46 2qtb s ASN 85 Ca 0.00 2.17 0.06 0.00 -2.14 0.00 0.00 52.86 52.94 2qtb s ASN 85 Cb 0.00 -2.58 -0.02 0.00 1.28 0.00 0.00 41.25 39.93 2qtb s ASN 85 CO 0.00 -1.36 0.21 -0.94 -2.04 0.00 0.00 177.10 172.97 2qtb s SER 86 N -1.92 2.34 0.08 3.54 1.04 -1.26 -1.32 113.70 116.20 2qtb s SER 86 Ca 0.72 -1.74 -0.15 0.00 0.48 0.00 0.00 55.95 55.26 2qtb s SER 86 Cb -0.24 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2qtb s SER 86 CO 0.31 -1.02 0.34 -0.44 0.98 0.00 0.00 173.24 173.41 2qtb s SER 87 N -3.51 -0.16 0.17 7.02 0.01 -0.79 -4.98 113.70 111.46 2qtb s SER 87 Ca 0.31 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 2qtb s SER 87 Cb 0.02 0.41 -0.07 0.00 0.21 0.00 0.00 66.02 66.59 2qtb s SER 87 CO 0.21 -0.73 0.97 -0.69 0.41 0.00 0.00 173.24 173.40 2qtb s VAL 88 N -3.23 4.27 -0.15 3.43 1.01 -1.26 -0.83 120.40 123.64 2qtb s VAL 88 Ca -0.00 2.03 0.08 0.00 0.00 0.00 0.00 61.98 64.09 2qtb s VAL 88 Cb 0.01 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.95 2qtb s VAL 88 CO -0.08 0.38 -0.03 0.33 0.00 0.00 0.00 175.10 175.71 2qtb n PHE 89 N 2.26 0.00 -3.68 5.22 -0.00 0.34 -4.80 117.46 116.79 2qtb n PHE 89 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.36 2qtb n PHE 89 Cb 0.48 -0.69 -0.10 0.00 -0.00 0.00 0.00 39.48 39.17 2qtb n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2qtb s LEU 90 N -5.38 -0.33 0.25 -2.13 2.96 -0.55 -4.99 118.68 108.51 2qtb s LEU 90 Ca -0.13 0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 2qtb s LEU 90 Cb 0.05 1.32 -0.10 0.00 0.50 0.00 0.00 46.19 47.97 2qtb s LEU 90 CO 0.51 -0.21 1.40 -1.61 -1.32 0.00 0.00 176.35 175.12 2qtb s GLU 91 N 1.93 4.30 0.00 1.98 0.41 -1.26 -1.98 118.70 124.08 2qtb s GLU 91 Ca -0.06 2.24 0.08 0.00 -0.41 0.00 0.00 54.97 56.82 2qtb s GLU 91 Cb -0.10 -3.12 0.46 0.00 -1.78 0.00 0.00 34.13 29.59 2qtb s GLU 91 CO -0.13 -0.36 1.02 0.27 -0.49 0.00 0.00 175.26 175.57 2qtb n ASN 92 N 2.24 0.00 0.00 -0.19 6.94 -1.26 -2.16 115.26 120.83 2qtb n ASN 92 Ca 0.06 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.54 2qtb n ASN 92 Cb 0.41 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2qtb n ASN 92 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2qtb n SER 93 N -0.68 0.16 -0.34 0.53 3.41 -1.26 -4.75 113.62 110.69 2qtb n SER 93 Ca 0.06 -0.42 0.25 0.00 -0.26 0.00 0.00 58.87 58.49 2qtb n SER 93 Cb 0.03 0.88 0.53 0.00 -0.26 0.00 0.00 64.21 65.39 2qtb n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qtb h THR 94 N 0.00 0.46 -0.62 6.66 2.02 -1.82 -0.62 112.91 118.99 2qtb h THR 94 Ca 0.00 -0.12 -0.35 0.00 0.77 0.00 0.00 66.41 66.72 2qtb h THR 94 Cb 0.00 0.09 -0.20 0.00 -1.74 0.00 0.00 68.15 66.30 2qtb h THR 94 CO 0.00 0.06 0.16 0.49 0.37 0.00 0.00 175.52 176.60 2qtb n PHE 95 N -4.63 1.95 0.13 3.16 3.72 -1.26 -4.70 117.46 115.83 2qtb n PHE 95 Ca 0.27 -1.85 0.14 0.00 -0.05 0.00 0.00 57.45 55.96 2qtb n PHE 95 Cb 0.97 -0.70 0.66 0.00 -0.94 0.00 0.00 39.48 39.46 2qtb n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qtb h ASP 96 N 1.16 0.01 -0.51 4.37 3.32 -1.42 -1.05 116.42 122.30 2qtb h ASP 96 Ca 0.39 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.29 2qtb h ASP 96 Cb 1.93 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.39 2qtb h ASP 96 CO 0.73 0.01 0.12 -0.62 -1.72 0.00 0.00 179.24 177.75 2qtb n GLU 97 N -4.46 3.01 0.21 3.56 4.71 -1.26 -4.57 120.64 121.84 2qtb n GLU 97 Ca 0.03 -3.04 0.05 0.00 -0.01 0.00 0.00 57.16 54.20 2qtb n GLU 97 Cb 0.34 -2.01 0.48 0.00 -1.01 0.00 0.00 31.44 29.23 2qtb n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2qtb h PHE 98 N 1.97 0.00 0.00 -0.32 3.57 -1.54 -3.46 116.94 117.17 2qtb h PHE 98 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2qtb h PHE 98 Cb 1.92 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.66 2qtb h PHE 98 CO 0.99 0.25 0.00 0.41 -2.23 0.00 0.00 178.31 177.73 2qtb n GLY 99 N -0.72 2.92 3.33 2.40 0.00 -1.26 -4.98 105.19 106.88 2qtb n GLY 99 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2qtb n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qtb s HIS 100 N -2.68 2.17 -0.31 1.61 3.76 -1.26 -5.09 115.29 113.49 2qtb s HIS 100 Ca 0.00 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 2qtb s HIS 100 Cb 0.00 -1.26 0.01 0.00 1.11 0.00 0.00 32.58 32.45 2qtb s HIS 100 CO 0.00 0.18 1.12 0.45 -0.85 0.00 0.00 174.74 175.63 2qtb s SER 101 N -1.48 6.89 -0.20 1.40 0.15 -1.26 -4.98 113.70 114.22 2qtb s SER 101 Ca 0.11 1.10 -0.29 0.00 0.70 0.00 0.00 55.95 57.57 2qtb s SER 101 Cb -0.10 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2qtb s SER 101 CO 0.03 -0.91 1.20 -0.63 1.20 0.00 0.00 173.24 174.13 2qtb s ILE 102 N 3.76 4.38 -0.01 6.45 1.01 -1.26 -4.29 121.20 131.24 2qtb s ILE 102 Ca 0.47 1.66 -0.20 0.00 0.00 0.00 0.00 60.65 62.59 2qtb s ILE 102 Cb -0.13 -4.11 -0.26 0.00 0.01 0.00 0.00 42.46 37.97 2qtb s ILE 102 CO 0.16 -0.19 1.04 -1.13 0.00 0.00 0.00 174.94 174.83 2qtb h ASN 103 N 8.09 0.54 -5.01 3.58 -1.24 0.11 -3.49 115.58 118.16 2qtb h ASN 103 Ca -0.24 -0.82 -0.01 0.00 0.71 0.00 0.00 56.30 55.94 2qtb h ASN 103 Cb 1.09 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 2qtb h ASN 103 CO 0.98 1.30 0.26 -0.62 -1.29 0.00 0.00 177.43 178.06 2qtb s ASP 104 N -6.86 -0.01 0.13 1.15 2.15 -1.17 -5.02 116.67 107.04 2qtb s ASP 104 Ca -0.13 -1.09 -0.05 0.00 0.43 0.00 0.00 52.55 51.72 2qtb s ASP 104 Cb 0.03 0.83 -0.02 0.00 -0.30 0.00 0.00 42.92 43.46 2qtb s ASP 104 CO 0.83 -1.64 0.14 -0.72 -0.17 0.00 0.00 175.17 173.61 2qtb s TYR 105 N -2.52 0.58 -0.26 -5.34 1.13 -1.26 -1.14 117.35 108.53 2qtb s TYR 105 Ca 0.15 -0.98 -0.04 0.00 -1.41 0.00 0.00 57.07 54.79 2qtb s TYR 105 Cb -0.05 -0.28 0.14 0.00 -1.10 0.00 0.00 41.96 40.68 2qtb s TYR 105 CO 0.11 -0.57 0.50 0.45 -2.51 0.00 0.00 175.55 173.53 2qtb s SER 106 N -2.98 -0.60 0.12 -0.18 0.15 -0.45 -4.95 113.70 104.82 2qtb s SER 106 Ca 0.17 0.79 -0.25 0.00 0.70 0.00 0.00 55.95 57.37 2qtb s SER 106 Cb 0.06 1.69 -0.07 0.00 -1.71 0.00 0.00 66.02 65.98 2qtb s SER 106 CO -0.02 -0.26 0.77 -0.63 1.20 0.00 0.00 173.24 174.30 2qtb s ILE 107 N 2.72 4.51 0.70 6.45 1.01 -1.26 -0.04 121.20 135.28 2qtb s ILE 107 Ca 0.10 1.66 -0.16 0.00 0.00 0.00 0.00 60.65 62.24 2qtb s ILE 107 Cb -0.14 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.23 2qtb s ILE 107 CO -0.17 0.47 1.25 -0.94 0.00 0.00 0.00 174.94 175.55 2qtb s SER 108 N -0.76 4.32 0.42 3.58 1.04 0.13 -4.87 113.70 117.56 2qtb s SER 108 Ca 0.36 2.50 0.15 0.00 0.48 0.00 0.00 55.95 59.45 2qtb s SER 108 Cb -0.22 -2.60 1.04 0.00 0.10 0.00 0.00 66.02 64.34 2qtb s SER 108 CO 0.25 -2.19 1.92 -0.65 0.98 0.00 0.00 173.24 173.55 2qtb h PRO 109 N 0.06 0.41 -0.09 4.02 0.11 -1.82 0.50 132.00 135.19 2qtb h PRO 109 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qtb h PRO 109 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2qtb h PRO 109 CO 0.51 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 2qtb n ASP 110 N -4.48 0.75 0.00 -2.05 3.85 -1.14 -4.86 116.55 108.62 2qtb n ASP 110 Ca 0.14 -1.63 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 2qtb n ASP 110 Cb 0.52 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 2qtb n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qtb n GLY 111 N 0.91 0.34 0.08 6.12 0.00 0.17 -4.87 105.19 107.94 2qtb n GLY 111 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 2qtb n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qtb h GLN 112 N 0.93 0.00 -5.05 1.61 4.20 -1.91 -3.46 115.11 111.43 2qtb h GLN 112 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 2qtb h GLN 112 Cb 0.26 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.89 2qtb h GLN 112 CO 0.00 0.87 -0.70 -0.06 -0.67 0.00 0.00 178.83 178.28 2qtb s PHE 113 N -2.80 1.33 -0.03 2.96 0.08 -1.26 -1.56 117.98 116.70 2qtb s PHE 113 Ca 0.02 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.26 2qtb s PHE 113 Cb 0.10 -0.71 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 2qtb s PHE 113 CO 0.80 0.03 -0.02 -1.50 -0.10 0.00 0.00 175.22 174.43 2qtb s ILE 114 N -3.38 0.31 -0.22 0.64 2.07 -0.89 -0.70 121.20 119.04 2qtb s ILE 114 Ca 0.20 -0.01 -0.17 0.00 -1.41 0.00 0.00 60.65 59.26 2qtb s ILE 114 Cb 0.04 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 2qtb s ILE 114 CO 0.03 0.16 0.44 -0.22 -1.91 0.00 0.00 174.94 173.44 2qtb s LEU 115 N 0.84 4.13 -0.28 8.50 2.96 0.94 -1.44 118.68 134.32 2qtb s LEU 115 Ca -0.09 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.25 2qtb s LEU 115 Cb -0.13 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2qtb s LEU 115 CO -0.01 -0.14 0.14 -0.76 -1.32 0.00 0.00 176.35 174.26 2qtb s LEU 116 N 1.61 3.84 -0.18 -0.68 1.43 0.98 -1.34 118.68 124.34 2qtb s LEU 116 Ca 0.20 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2qtb s LEU 116 Cb -0.15 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2qtb s LEU 116 CO 0.09 -0.09 0.17 -0.70 0.23 0.00 0.00 176.35 176.05 2qtb s GLU 117 N 1.67 4.09 0.31 1.70 2.12 -0.29 -1.83 118.70 126.47 2qtb s GLU 117 Ca 0.06 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.15 2qtb s GLU 117 Cb -0.16 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.86 2qtb s GLU 117 CO 0.07 0.36 0.57 1.52 -0.54 0.00 0.00 175.26 177.24 2qtb s TYR 118 N 0.15 0.47 -1.57 5.30 1.13 -0.50 0.15 117.35 122.48 2qtb s TYR 118 Ca 0.11 -0.87 -0.05 0.00 -1.41 0.00 0.00 57.07 54.86 2qtb s TYR 118 Cb -0.12 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.05 2qtb s TYR 118 CO 0.00 -1.19 0.58 0.09 -2.51 0.00 0.00 175.55 172.52 2qtb n ASN 119 N -0.93 -6.10 -4.71 -0.18 3.02 -1.26 -0.07 115.26 105.04 2qtb n ASN 119 Ca -0.03 -0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 2qtb n ASN 119 Cb 0.61 -4.94 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 2qtb n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qtb n TYR 120 N -4.49 2.69 -3.75 3.10 9.36 -1.26 -4.33 117.16 118.48 2qtb n TYR 120 Ca -0.12 -0.01 -0.28 0.00 3.32 0.00 0.00 57.90 60.81 2qtb n TYR 120 Cb 0.62 -2.69 -0.16 0.00 -0.63 0.00 0.00 39.34 36.48 2qtb n TYR 120 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2qtb s VAL 121 N 1.66 0.65 0.39 2.97 1.01 -0.23 -5.01 120.40 121.85 2qtb s VAL 121 Ca 0.77 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 2qtb s VAL 121 Cb -0.51 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2qtb s VAL 121 CO 0.34 -0.24 1.35 -0.75 0.00 0.00 0.00 175.10 175.80 2qtb s LYS 122 N 1.79 4.03 0.00 2.72 2.20 -1.26 -1.47 119.74 127.75 2qtb s LYS 122 Ca -0.01 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 2qtb s LYS 122 Cb -0.17 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2qtb s LYS 122 CO -0.09 -0.48 0.00 0.94 -0.36 0.00 0.00 175.35 175.36 2qtb n GLN 123 N 0.28 0.00 0.00 4.03 7.27 0.36 -4.90 117.38 124.43 2qtb n GLN 123 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 2qtb n GLN 123 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 2qtb n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2qtb n TRP 124 N 0.00 0.00 -0.23 3.69 5.03 -1.18 -4.94 117.44 119.81 2qtb n TRP 124 Ca 0.00 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.46 2qtb n TRP 124 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.32 2qtb n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2qtb h ARG 125 N 0.00 0.98 0.00 -0.99 2.43 -1.98 -3.37 114.38 111.45 2qtb h ARG 125 Ca 0.00 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 2qtb h ARG 125 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2qtb h ARG 125 CO 0.00 0.83 -1.28 0.72 -1.51 0.00 0.00 179.97 178.74 2qtb n HIS 126 N -4.40 0.00 -2.20 2.20 8.25 -1.26 -5.06 115.22 112.75 2qtb n HIS 126 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 2qtb n HIS 126 Cb 0.18 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 2qtb n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qtb s SER 127 N -3.37 5.94 -0.10 0.41 1.04 -1.26 -4.68 113.70 111.67 2qtb s SER 127 Ca -0.02 1.87 -0.33 0.00 0.48 0.00 0.00 55.95 57.95 2qtb s SER 127 Cb 0.02 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.72 2qtb s SER 127 CO 0.18 -1.06 1.20 -0.72 0.98 0.00 0.00 173.24 173.82 2qtb s TYR 128 N -2.28 -0.11 0.29 5.02 -0.85 -1.26 -0.49 117.35 117.66 2qtb s TYR 128 Ca 0.65 0.03 0.12 0.00 -0.52 0.00 0.00 57.07 57.34 2qtb s TYR 128 Cb -0.16 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 2qtb s TYR 128 CO 0.32 -0.28 -0.18 0.95 -1.52 0.00 0.00 175.55 174.84 2qtb s THR 129 N -2.50 2.48 0.22 -3.49 -4.23 -0.54 -4.62 115.64 102.94 2qtb s THR 129 Ca 0.11 -2.36 -0.22 0.00 -1.18 0.00 0.00 61.69 58.03 2qtb s THR 129 Cb 0.01 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.54 2qtb s THR 129 CO -0.04 -0.37 0.90 0.00 -0.54 0.00 0.00 174.62 174.57 2qtb s ALA 130 N -2.52 -1.43 0.11 3.99 0.00 -0.78 -1.07 121.76 120.06 2qtb s ALA 130 Ca 0.30 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.14 2qtb s ALA 130 Cb -0.04 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2qtb s ALA 130 CO 0.15 -1.04 0.07 -1.12 0.00 0.00 0.00 175.76 173.82 2qtb s SER 131 N -3.03 5.36 0.07 0.00 0.01 0.90 -1.72 113.70 115.30 2qtb s SER 131 Ca 0.14 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2qtb s SER 131 Cb -0.03 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 2qtb s SER 131 CO 0.05 0.14 -0.08 -0.31 0.41 0.00 0.00 173.24 173.45 2qtb s TYR 132 N -1.47 0.85 0.01 2.43 1.51 -1.26 -1.41 117.35 118.00 2qtb s TYR 132 Ca 0.29 -0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 2qtb s TYR 132 Cb -0.11 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 2qtb s TYR 132 CO 0.21 -0.08 0.03 -0.51 -1.11 0.00 0.00 175.55 174.09 2qtb s ASP 133 N -2.24 0.11 -0.16 2.29 -0.00 -0.76 -4.55 116.67 111.36 2qtb s ASP 133 Ca 0.01 -0.27 -0.00 0.00 -0.00 0.00 0.00 52.55 52.29 2qtb s ASP 133 Cb -0.04 0.12 -0.00 0.00 -0.00 0.00 0.00 42.92 43.00 2qtb s ASP 133 CO -0.01 -0.23 -0.14 -0.63 -0.00 0.00 0.00 175.17 174.16 2qtb s ILE 134 N -1.01 2.80 -0.19 0.77 1.01 -1.26 -0.02 121.20 123.30 2qtb s ILE 134 Ca -0.11 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 2qtb s ILE 134 Cb -0.07 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2qtb s ILE 134 CO -0.00 0.51 0.04 -0.47 0.00 0.00 0.00 174.94 175.01 2qtb s TYR 135 N 0.85 3.15 -0.27 3.97 5.04 -0.52 -0.74 117.35 128.82 2qtb s TYR 135 Ca -0.04 -0.15 -0.28 0.00 -2.44 0.00 0.00 57.07 54.16 2qtb s TYR 135 Cb -0.15 -2.08 0.01 0.00 0.35 0.00 0.00 41.96 40.09 2qtb s TYR 135 CO -0.00 -0.02 1.00 0.34 -1.34 0.00 0.00 175.55 175.53 2qtb s ASP 136 N 0.66 6.96 0.16 4.32 -1.08 0.43 -2.10 116.67 126.03 2qtb s ASP 136 Ca 0.02 1.14 0.05 0.00 -0.52 0.00 0.00 52.55 53.23 2qtb s ASP 136 Cb -0.14 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 38.76 2qtb s ASP 136 CO 0.02 -0.73 1.35 -0.07 0.52 0.00 0.00 175.17 176.27 2qtb h LEU 137 N 9.66 0.13 0.36 -1.34 3.38 -1.56 -0.14 115.31 125.80 2qtb h LEU 137 Ca -0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2qtb h LEU 137 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qtb h LEU 137 CO 0.98 0.98 -0.17 0.78 0.09 0.00 0.00 178.44 181.09 2qtb h ASN 138 N 0.05 -0.41 -0.33 -0.43 2.35 -1.91 -3.02 115.58 111.88 2qtb h ASN 138 Ca -0.03 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2qtb h ASN 138 Cb 1.59 0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.06 2qtb h ASN 138 CO 0.13 -0.05 0.00 2.29 -1.65 0.00 0.00 177.43 178.15 2qtb n LYS 139 N -5.17 2.48 -3.96 0.81 2.85 -1.25 -4.91 118.16 109.00 2qtb n LYS 139 Ca -0.10 -1.47 -0.26 0.00 -1.05 0.00 0.00 58.31 55.43 2qtb n LYS 139 Cb 0.27 -1.62 -0.07 0.00 -0.65 0.00 0.00 35.03 32.96 2qtb n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qtb n ARG 140 N 0.44 -0.92 -3.97 -1.58 5.12 -0.50 -4.90 116.66 110.35 2qtb n ARG 140 Ca 0.13 0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 56.02 2qtb n ARG 140 Cb 0.54 -2.81 -0.11 0.00 -1.16 0.00 0.00 32.46 28.92 2qtb n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2qtb s GLN 141 N -6.55 0.28 0.04 5.56 0.74 -0.18 -4.96 119.66 114.58 2qtb s GLN 141 Ca 0.02 -0.54 -0.25 0.00 0.05 0.00 0.00 55.36 54.64 2qtb s GLN 141 Cb -0.01 0.10 -0.05 0.00 1.10 0.00 0.00 33.01 34.14 2qtb s GLN 141 CO 0.80 -0.05 0.75 -1.17 -0.55 0.00 0.00 175.29 175.08 2qtb s LEU 142 N -1.30 4.45 -0.04 3.68 2.96 -1.26 0.16 118.68 127.33 2qtb s LEU 142 Ca -0.14 1.42 -0.28 0.00 -0.22 0.00 0.00 54.13 54.92 2qtb s LEU 142 Cb -0.09 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2qtb s LEU 142 CO -0.01 0.02 0.88 -0.63 -1.32 0.00 0.00 176.35 175.30 2qtb s ILE 143 N -0.07 4.93 -0.32 6.68 1.01 0.08 -4.90 121.20 128.61 2qtb s ILE 143 Ca 0.38 1.83 0.06 0.00 0.00 0.00 0.00 60.65 62.92 2qtb s ILE 143 Cb -0.20 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 2qtb s ILE 143 CO 0.22 0.18 0.28 0.35 0.00 0.00 0.00 174.94 175.97 2qtb n THR 144 N 3.93 0.00 -3.73 2.92 -2.24 -1.26 -4.58 114.28 109.32 2qtb n THR 144 Ca 0.04 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 2qtb n THR 144 Cb 0.51 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 2qtb n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qtb s GLU 145 N -1.52 3.62 -1.28 -0.78 2.02 -1.26 -4.52 118.70 114.97 2qtb s GLU 145 Ca 0.03 -0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.79 2qtb s GLU 145 Cb 0.05 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.22 2qtb s GLU 145 CO 0.24 0.64 0.56 0.39 0.02 0.00 0.00 175.26 177.11 2qtb n GLU 146 N 1.11 -1.12 -3.11 1.61 -0.58 -1.26 -4.68 120.64 112.60 2qtb n GLU 146 Ca -0.11 0.23 -0.32 0.00 -0.42 0.00 0.00 57.16 56.54 2qtb n GLU 146 Cb 0.53 -3.45 -0.06 0.00 -0.57 0.00 0.00 31.44 27.88 2qtb n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2qtb s ARG 147 N -6.89 4.01 0.28 3.49 1.70 -1.26 -4.79 118.95 115.49 2qtb s ARG 147 Ca 0.33 0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 55.99 2qtb s ARG 147 Cb -0.16 -2.41 -0.13 0.00 -0.57 0.00 0.00 34.95 31.67 2qtb s ARG 147 CO 0.93 0.14 1.24 -0.89 -1.08 0.00 0.00 175.30 175.64 2qtb n ILE 148 N -0.41 1.55 -0.96 4.99 5.41 -1.26 -4.93 119.36 123.75 2qtb n ILE 148 Ca 0.04 -0.39 -0.31 0.00 1.00 0.00 0.00 62.75 63.09 2qtb n ILE 148 Cb 0.53 -1.31 0.13 0.00 -0.71 0.00 0.00 39.64 38.28 2qtb n ILE 148 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2qtb s PRO 149 N -1.17 1.56 0.63 0.38 0.02 -1.26 -4.63 135.00 130.53 2qtb s PRO 149 Ca 0.62 1.43 -0.11 0.00 0.02 0.00 0.00 61.00 62.96 2qtb s PRO 149 Cb -0.66 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 2qtb s PRO 149 CO 0.57 -2.20 1.03 -0.80 -0.33 0.00 0.00 177.00 175.27 2qtb s ASN 150 N -2.88 6.11 -1.24 2.53 0.01 -1.26 -3.73 114.94 114.47 2qtb s ASN 150 Ca 0.65 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 54.25 2qtb s ASN 150 Cb -0.21 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 38.97 2qtb s ASN 150 CO 0.56 -0.95 0.00 0.59 -1.51 0.00 0.00 177.10 175.79 2qtb n ASN 151 N -2.79 -4.36 -4.74 -1.22 3.02 -1.16 -4.96 115.26 99.05 2qtb n ASN 151 Ca 0.06 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 2qtb n ASN 151 Cb 0.54 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.23 2qtb n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qtb s THR 152 N -2.67 3.29 -0.03 3.41 2.01 -0.70 -4.63 115.64 116.32 2qtb s THR 152 Ca 0.00 1.13 0.12 0.00 0.31 0.00 0.00 61.69 63.25 2qtb s THR 152 Cb 0.00 -3.72 -0.18 0.00 0.01 0.00 0.00 72.50 68.61 2qtb s THR 152 CO 0.00 0.20 0.92 1.56 -0.69 0.00 0.00 174.62 176.61 2qtb h GLN 153 N 4.85 0.00 -1.71 4.92 4.20 -1.29 -2.07 115.11 124.00 2qtb h GLN 153 Ca -0.45 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.29 2qtb h GLN 153 Cb 1.22 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.76 2qtb h GLN 153 CO 0.73 0.57 0.39 -0.46 -0.67 0.00 0.00 178.83 179.40 2qtb s TRP 154 N -2.73 -0.52 -0.04 2.96 -0.11 -1.18 -4.65 118.94 112.67 2qtb s TRP 154 Ca -0.02 1.13 -0.09 0.00 1.22 0.00 0.00 56.10 58.34 2qtb s TRP 154 Cb 0.09 0.38 0.01 0.00 -1.50 0.00 0.00 33.47 32.45 2qtb s TRP 154 CO 0.81 -0.34 0.20 0.54 -4.62 0.00 0.00 176.95 173.55 2qtb s VAL 155 N -0.33 0.04 -0.20 5.86 0.11 -1.26 0.00 120.40 124.62 2qtb s VAL 155 Ca -0.01 -0.31 -0.15 0.00 -2.93 0.00 0.00 61.98 58.58 2qtb s VAL 155 Cb -0.03 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.48 2qtb s VAL 155 CO -0.00 -0.17 0.51 0.28 -3.33 0.00 0.00 175.10 172.39 2qtb s THR 156 N -0.62 -0.01 0.80 5.04 -1.32 0.23 -4.99 115.64 114.77 2qtb s THR 156 Ca -0.07 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 2qtb s THR 156 Cb -0.04 -0.73 0.07 0.00 -1.51 0.00 0.00 72.50 70.28 2qtb s THR 156 CO 0.01 0.01 1.09 0.26 -2.21 0.00 0.00 174.62 173.79 2qtb s TRP 157 N 0.92 2.56 0.80 9.09 0.52 -1.26 -1.72 118.94 129.85 2qtb s TRP 157 Ca -0.05 1.47 -0.11 0.00 0.02 0.00 0.00 56.10 57.42 2qtb s TRP 157 Cb -0.06 -3.06 0.07 0.00 -1.15 0.00 0.00 33.47 29.27 2qtb s TRP 157 CO -0.08 -1.89 1.09 -1.54 0.02 0.00 0.00 176.95 174.55 2qtb s SER 158 N -3.44 4.41 0.47 2.95 1.04 -0.53 -4.87 113.70 113.73 2qtb s SER 158 Ca 0.61 1.37 0.22 0.00 0.48 0.00 0.00 55.95 58.63 2qtb s SER 158 Cb -0.17 -2.11 1.15 0.00 0.10 0.00 0.00 66.02 64.99 2qtb s SER 158 CO 0.56 -2.03 1.97 1.55 0.98 0.00 0.00 173.24 176.27 2qtb h PRO 159 N -1.13 0.00 -5.47 4.02 0.13 -1.83 -3.43 132.00 124.29 2qtb h PRO 159 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 2qtb h PRO 159 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.18 2qtb h PRO 159 CO 0.58 0.20 -0.78 0.08 -0.23 0.00 0.00 178.00 177.85 2qtb s VAL 160 N -4.14 1.22 0.00 1.56 1.01 -1.26 -4.79 120.40 114.00 2qtb s VAL 160 Ca -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.56 2qtb s VAL 160 Cb 0.13 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2qtb s VAL 160 CO 0.64 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2qtb n GLY 161 N 1.15 0.99 1.44 4.51 0.00 -1.26 -4.44 105.19 107.57 2qtb n GLY 161 Ca -0.20 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 2qtb n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qtb n HIS 162 N 12.45 -0.03 -1.40 1.61 1.44 -1.26 -2.89 115.22 125.14 2qtb n HIS 162 Ca 0.00 -0.66 -0.30 0.00 -2.01 0.00 0.00 57.72 54.74 2qtb n HIS 162 Cb 0.00 0.19 0.10 0.00 0.12 0.00 0.00 29.99 30.40 2qtb n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2qtb s LYS 163 N -0.23 2.02 0.06 -1.40 1.02 -1.26 -4.60 119.74 115.35 2qtb s LYS 163 Ca 0.19 0.84 0.04 0.00 0.02 0.00 0.00 55.97 57.06 2qtb s LYS 163 Cb 0.23 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 2qtb s LYS 163 CO -0.09 -1.72 -0.13 -0.51 -0.92 0.00 0.00 175.35 171.98 2qtb s LEU 164 N -5.89 2.27 -0.03 3.17 1.43 -0.03 -1.45 118.68 118.15 2qtb s LEU 164 Ca 0.61 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2qtb s LEU 164 Cb -0.16 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.66 2qtb s LEU 164 CO 0.55 -0.10 0.03 0.00 0.23 0.00 0.00 176.35 177.06 2qtb s ALA 165 N -1.29 0.18 0.05 4.21 0.00 -0.70 -1.02 121.76 123.19 2qtb s ALA 165 Ca -0.04 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 2qtb s ALA 165 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2qtb s ALA 165 CO 0.02 -0.22 -0.04 1.52 0.00 0.00 0.00 175.76 177.04 2qtb s TYR 166 N 1.41 0.56 -0.08 0.00 1.13 -0.74 -0.60 117.35 119.03 2qtb s TYR 166 Ca -0.05 -1.00 0.04 0.00 -1.41 0.00 0.00 57.07 54.65 2qtb s TYR 166 Cb -0.13 -0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 40.33 2qtb s TYR 166 CO -0.03 -0.33 -0.20 0.08 -2.51 0.00 0.00 175.55 172.57 2qtb s VAL 167 N -3.66 2.50 -0.05 -3.49 1.01 0.10 -1.21 120.40 115.60 2qtb s VAL 167 Ca 0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2qtb s VAL 167 Cb 0.06 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.50 2qtb s VAL 167 CO -0.08 0.56 0.10 0.86 0.00 0.00 0.00 175.10 176.54 2qtb s TRP 168 N -0.05 -0.10 -1.53 5.22 -0.00 -0.45 -0.93 118.94 121.11 2qtb s TRP 168 Ca -0.05 0.35 -0.13 0.00 -0.00 0.00 0.00 56.10 56.27 2qtb s TRP 168 Cb -0.14 -0.12 0.08 0.00 -0.00 0.00 0.00 33.47 33.29 2qtb s TRP 168 CO 0.04 -0.13 0.94 0.09 -0.00 0.00 0.00 176.95 177.89 2qtb n ASN 169 N 4.07 -4.34 -0.43 5.86 5.03 -1.26 -1.40 115.26 122.78 2qtb n ASN 169 Ca -0.25 -0.81 -0.06 0.00 0.87 0.00 0.00 54.58 54.33 2qtb n ASN 169 Cb 0.52 -3.78 -0.02 0.00 -1.02 0.00 0.00 39.78 35.47 2qtb n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qtb n ASN 170 N -2.84 -4.98 -4.40 6.41 4.13 -1.26 -4.38 115.26 107.95 2qtb n ASN 170 Ca 0.01 0.14 -0.29 0.00 1.68 0.00 0.00 54.58 56.13 2qtb n ASN 170 Cb 0.54 -2.97 -0.13 0.00 -1.54 0.00 0.00 39.78 35.67 2qtb n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2qtb s ASP 171 N -2.32 3.35 -0.01 6.41 -0.00 -0.49 -1.95 116.67 121.65 2qtb s ASP 171 Ca 0.00 -0.77 -0.15 0.00 -0.00 0.00 0.00 52.55 51.63 2qtb s ASP 171 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 42.92 42.64 2qtb s ASP 171 CO 0.00 0.17 0.41 -0.63 -0.00 0.00 0.00 175.17 175.12 2qtb s ILE 172 N -1.17 5.04 0.07 0.77 1.01 -1.26 -1.33 121.20 124.32 2qtb s ILE 172 Ca 0.15 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.69 2qtb s ILE 172 Cb -0.10 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2qtb s ILE 172 CO 0.07 0.56 -0.12 -0.31 0.00 0.00 0.00 174.94 175.13 2qtb s TYR 173 N -0.92 1.05 -0.02 3.97 1.51 -0.35 -0.06 117.35 122.52 2qtb s TYR 173 Ca 0.24 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2qtb s TYR 173 Cb -0.17 -0.60 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 2qtb s TYR 173 CO 0.13 0.01 -0.08 0.08 -1.11 0.00 0.00 175.55 174.58 2qtb s VAL 174 N -1.41 0.72 -0.23 0.71 1.01 -0.42 -1.79 120.40 118.99 2qtb s VAL 174 Ca -0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2qtb s VAL 174 Cb -0.09 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.70 2qtb s VAL 174 CO 0.02 0.22 -0.13 -0.54 0.00 0.00 0.00 175.10 174.67 2qtb s LYS 175 N 0.10 2.41 0.32 2.72 1.02 -0.19 -0.60 119.74 125.51 2qtb s LYS 175 Ca -0.01 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 54.89 2qtb s LYS 175 Cb -0.07 -2.76 0.53 0.00 -0.52 0.00 0.00 37.83 35.01 2qtb s LYS 175 CO 0.00 -0.46 1.74 0.82 -0.92 0.00 0.00 175.35 176.53 2qtb h ILE 176 N 6.51 1.29 -3.95 2.17 1.08 -1.85 -0.04 117.51 122.72 2qtb h ILE 176 Ca -0.27 -1.39 -0.32 0.00 -0.39 0.00 0.00 64.86 62.50 2qtb h ILE 176 Cb 1.07 1.61 -0.25 0.00 -3.07 0.00 0.00 36.82 36.18 2qtb h ILE 176 CO 0.51 0.42 -0.75 -1.61 -0.69 0.00 0.00 178.15 176.02 2qtb s GLU 177 N -4.24 0.52 0.49 2.37 0.41 -1.26 -4.34 118.70 112.65 2qtb s GLU 177 Ca -0.04 -0.47 0.19 0.00 -0.41 0.00 0.00 54.97 54.24 2qtb s GLU 177 Cb 0.14 -0.41 1.23 0.00 -1.78 0.00 0.00 34.13 33.31 2qtb s GLU 177 CO 0.76 0.10 2.02 -1.35 -0.49 0.00 0.00 175.26 176.30 2qtb h PRO 178 N 5.32 0.15 -0.02 0.39 0.11 -1.84 -2.46 132.00 133.64 2qtb h PRO 178 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2qtb h PRO 178 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qtb h PRO 178 CO 0.46 0.10 -0.27 0.27 -0.21 0.00 0.00 178.00 178.34 2qtb n ASN 179 N -4.45 2.35 -4.94 -2.05 2.04 -1.26 -4.83 115.26 102.12 2qtb n ASN 179 Ca 0.07 -1.68 -0.25 0.00 -0.44 0.00 0.00 54.58 52.28 2qtb n ASN 179 Cb 0.41 0.27 -0.02 0.00 -2.53 0.00 0.00 39.78 37.90 2qtb n ASN 179 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2qtb s LEU 180 N -2.28 4.09 0.45 -4.53 1.43 -0.93 -4.49 118.68 112.42 2qtb s LEU 180 Ca 0.23 0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 2qtb s LEU 180 Cb 0.19 -3.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 2qtb s LEU 180 CO 0.46 -0.21 1.37 -2.16 0.23 0.00 0.00 176.35 176.04 2qtb s PRO 181 N -3.96 3.73 0.42 1.29 0.04 -1.26 -4.79 135.00 130.47 2qtb s PRO 181 Ca 0.40 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2qtb s PRO 181 Cb -0.10 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 2qtb s PRO 181 CO 0.33 -0.73 0.79 -1.54 0.04 0.00 0.00 177.00 175.89 2qtb s SER 182 N -0.67 6.50 -0.14 6.66 1.04 -1.26 -4.76 113.70 121.07 2qtb s SER 182 Ca 0.61 1.15 -0.10 0.00 0.48 0.00 0.00 55.95 58.08 2qtb s SER 182 Cb -0.41 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 2qtb s SER 182 CO 0.52 -0.43 0.20 -0.31 0.98 0.00 0.00 173.24 174.19 2qtb s TYR 183 N -2.43 3.53 -0.21 5.02 2.02 0.23 -4.90 117.35 120.61 2qtb s TYR 183 Ca 0.51 0.54 -0.26 0.00 -0.37 0.00 0.00 57.07 57.49 2qtb s TYR 183 Cb -0.10 -2.13 -0.00 0.00 -0.40 0.00 0.00 41.96 39.32 2qtb s TYR 183 CO 0.33 0.49 0.89 0.50 -1.57 0.00 0.00 175.55 176.20 2qtb s ARG 184 N -0.32 4.25 -0.11 -0.62 3.00 -1.26 -1.30 118.95 122.59 2qtb s ARG 184 Ca 0.14 1.10 0.00 0.00 -1.00 0.00 0.00 55.73 55.97 2qtb s ARG 184 Cb -0.12 -3.62 -0.25 0.00 0.00 0.00 0.00 34.95 30.96 2qtb s ARG 184 CO 0.03 -0.49 0.41 -0.89 0.00 0.00 0.00 175.30 174.37 2qtb n ILE 185 N 5.10 1.70 -4.29 4.11 2.08 0.91 -4.35 119.36 124.62 2qtb n ILE 185 Ca 0.07 -0.70 -0.20 0.00 0.56 0.00 0.00 62.75 62.48 2qtb n ILE 185 Cb 0.47 -1.47 -0.11 0.00 -0.75 0.00 0.00 39.64 37.78 2qtb n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qtb s THR 186 N -2.57 1.61 0.00 1.39 -4.23 -1.18 -4.81 115.64 105.85 2qtb s THR 186 Ca -0.17 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2qtb s THR 186 Cb 0.07 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2qtb s THR 186 CO 0.78 -0.36 0.48 0.79 -0.54 0.00 0.00 174.62 175.77 2qtb n TRP 187 N 0.38 0.00 1.19 3.99 7.02 -1.26 -4.46 117.44 124.30 2qtb n TRP 187 Ca -0.14 -0.11 0.12 0.00 -1.02 0.00 0.00 57.50 56.36 2qtb n TRP 187 Cb 0.57 -0.01 0.26 0.00 -2.42 0.00 0.00 31.31 29.71 2qtb n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2qtb n THR 188 N -0.11 0.00 -1.64 -0.99 -2.24 -1.26 -4.99 114.28 103.04 2qtb n THR 188 Ca 0.00 -0.25 -0.52 0.00 -2.27 0.00 0.00 64.05 61.01 2qtb n THR 188 Cb 0.31 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 2qtb n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qtb n GLY 189 N 1.33 0.79 2.91 3.38 0.00 -1.26 -4.70 105.19 107.64 2qtb n GLY 189 Ca 0.13 0.76 -0.14 0.00 0.00 0.00 0.00 46.02 46.76 2qtb n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qtb s LYS 190 N 1.58 0.19 0.01 1.61 2.20 -0.85 -4.88 119.74 119.59 2qtb s LYS 190 Ca 0.87 0.54 -0.36 0.00 -0.36 0.00 0.00 55.97 56.66 2qtb s LYS 190 Cb -0.89 -0.48 -0.18 0.00 -1.51 0.00 0.00 37.83 34.76 2qtb s LYS 190 CO 0.49 -0.45 0.96 -1.91 -0.36 0.00 0.00 175.35 174.08 2qtb n GLU 191 N 5.34 0.00 -0.98 4.03 2.13 -1.26 0.23 120.64 130.12 2qtb n GLU 191 Ca -0.06 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.72 2qtb n GLU 191 Cb 0.50 -1.36 -0.02 0.00 0.27 0.00 0.00 31.44 30.83 2qtb n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2qtb n ASP 192 N 1.41 -4.78 0.09 4.31 8.00 -1.26 -4.65 116.55 119.67 2qtb n ASP 192 Ca 0.18 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2qtb n ASP 192 Cb 0.08 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 2qtb n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qtb n ILE 193 N -1.75 0.53 -4.32 0.53 2.08 0.14 -4.68 119.36 111.88 2qtb n ILE 193 Ca -0.04 0.18 -0.33 0.00 0.56 0.00 0.00 62.75 63.11 2qtb n ILE 193 Cb 0.45 -1.02 -0.15 0.00 -0.75 0.00 0.00 39.64 38.16 2qtb n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2qtb s ILE 194 N -2.00 2.57 -0.27 1.39 -1.09 0.03 -0.68 121.20 121.15 2qtb s ILE 194 Ca 0.00 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 2qtb s ILE 194 Cb 0.00 -2.10 0.04 0.00 -1.58 0.00 0.00 42.46 38.83 2qtb s ILE 194 CO 0.00 0.51 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.87 2qtb s TYR 195 N 1.06 3.18 -0.28 3.97 1.51 0.19 -2.02 117.35 124.96 2qtb s TYR 195 Ca -0.01 -1.81 -0.08 0.00 -1.01 0.00 0.00 57.07 54.17 2qtb s TYR 195 Cb -0.15 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 2qtb s TYR 195 CO -0.04 -0.79 0.10 -0.80 -1.11 0.00 0.00 175.55 172.91 2qtb s ASN 196 N 1.26 5.26 0.00 2.29 0.01 -0.82 -0.72 114.94 122.22 2qtb s ASN 196 Ca -0.04 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 2qtb s ASN 196 Cb -0.18 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.54 2qtb s ASN 196 CO -0.03 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2qtb n GLY 197 N 4.93 1.72 3.16 0.66 0.00 -0.78 -4.25 105.19 110.62 2qtb n GLY 197 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2qtb n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qtb s ILE 198 N -3.27 0.76 0.26 -0.61 -4.36 -1.26 -0.24 121.20 112.49 2qtb s ILE 198 Ca 0.00 -1.79 -0.04 0.00 -0.26 0.00 0.00 60.65 58.57 2qtb s ILE 198 Cb 0.00 -1.50 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 2qtb s ILE 198 CO 0.00 -0.74 0.50 0.42 0.24 0.00 0.00 174.94 175.36 2qtb s THR 199 N -3.10 5.08 0.64 8.37 -4.23 0.11 -4.71 115.64 117.80 2qtb s THR 199 Ca 0.08 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.44 2qtb s THR 199 Cb 0.02 -3.73 0.14 0.00 1.34 0.00 0.00 72.50 70.27 2qtb s THR 199 CO -0.03 -0.27 0.87 -0.90 -0.54 0.00 0.00 174.62 173.75 2qtb n ASP 200 N -0.83 0.30 0.03 3.99 5.75 -1.26 -4.75 116.55 119.78 2qtb n ASP 200 Ca -0.03 -1.46 -0.11 0.00 -0.01 0.00 0.00 54.79 53.18 2qtb n ASP 200 Cb 0.54 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 2qtb n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2qtb h TRP 201 N -1.27 -0.90 -0.35 2.11 7.01 -2.00 -1.30 115.95 119.25 2qtb h TRP 201 Ca -0.28 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.64 2qtb h TRP 201 Cb 0.84 0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 28.29 2qtb h TRP 201 CO 0.00 -0.41 -0.25 -0.24 -2.79 0.00 0.00 178.44 174.75 2qtb h VAL 202 N -0.43 1.27 0.00 2.65 3.04 -1.94 -1.71 116.25 119.13 2qtb h VAL 202 Ca 0.08 -1.35 -0.11 0.00 -1.01 0.00 0.00 66.70 64.31 2qtb h VAL 202 Cb 0.56 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 2qtb h VAL 202 CO -0.32 0.45 -0.51 1.88 -1.01 0.00 0.00 177.57 178.06 2qtb h TYR 203 N 0.62 0.00 0.04 3.17 -1.99 -1.90 1.00 116.97 117.90 2qtb h TYR 203 Ca 0.08 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 2qtb h TYR 203 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2qtb h TYR 203 CO 0.04 0.51 -0.02 1.49 -0.00 0.00 0.00 178.16 180.18 2qtb h GLU 204 N 0.00 -0.05 0.16 4.88 4.81 -0.91 -1.63 114.58 121.85 2qtb h GLU 204 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2qtb h GLU 204 Cb 0.96 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2qtb h GLU 204 CO 0.07 0.44 -0.08 1.49 -0.73 0.00 0.00 179.01 180.20 2qtb h GLU 205 N -0.56 -0.21 0.00 1.92 4.57 -1.26 -1.65 114.58 117.39 2qtb h GLU 205 Ca -0.01 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2qtb h GLU 205 Cb 0.51 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2qtb h GLU 205 CO 0.01 0.21 -1.44 0.39 -1.18 0.00 0.00 179.01 177.00 2qtb n GLU 206 N -4.96 0.63 -0.00 1.92 -0.58 0.34 -4.43 120.64 113.55 2qtb n GLU 206 Ca -0.08 0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.64 2qtb n GLU 206 Cb 0.26 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 2qtb n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2qtb n VAL 207 N -2.55 1.07 0.60 2.62 0.31 -1.12 -4.85 118.33 114.41 2qtb n VAL 207 Ca -0.03 0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.70 2qtb n VAL 207 Cb 0.60 -1.75 0.08 0.00 -0.91 0.00 0.00 33.84 31.86 2qtb n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2qtb n PHE 208 N -3.60 0.34 -3.88 3.52 3.72 -0.63 -4.96 117.46 111.97 2qtb n PHE 208 Ca -0.04 0.10 -0.28 0.00 -0.05 0.00 0.00 57.45 57.17 2qtb n PHE 208 Cb 0.16 -0.49 0.02 0.00 -0.94 0.00 0.00 39.48 38.24 2qtb n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qtb n SER 209 N -1.98 -3.58 -3.55 4.37 7.64 -0.64 -4.93 113.62 110.96 2qtb n SER 209 Ca 0.03 -0.81 -0.09 0.00 1.01 0.00 0.00 58.87 59.01 2qtb n SER 209 Cb 0.43 -3.83 -0.03 0.00 -1.01 0.00 0.00 64.21 59.77 2qtb n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qtb s ALA 210 N -3.43 -1.91 0.00 -0.43 0.00 -1.12 -4.96 121.76 109.91 2qtb s ALA 210 Ca 0.47 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.88 2qtb s ALA 210 Cb -0.23 -0.15 -0.18 0.00 0.00 0.00 0.00 23.12 22.56 2qtb s ALA 210 CO 0.83 -0.51 1.03 -0.92 0.00 0.00 0.00 175.76 176.19 2qtb h TYR 211 N 2.23 0.00 -3.95 0.00 3.20 -1.88 -3.39 116.97 113.18 2qtb h TYR 211 Ca -0.18 0.00 -0.48 0.00 3.14 0.00 0.00 58.73 61.21 2qtb h TYR 211 Cb 1.20 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.48 2qtb h TYR 211 CO 0.27 0.89 0.40 -1.54 -1.64 0.00 0.00 178.16 176.55 2qtb s SER 212 N -6.36 6.86 -0.30 -2.11 1.04 -1.26 0.05 113.70 111.63 2qtb s SER 212 Ca -0.01 2.00 0.18 0.00 0.48 0.00 0.00 55.95 58.60 2qtb s SER 212 Cb 0.09 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 64.11 2qtb s SER 212 CO 0.81 -0.42 1.06 0.00 0.98 0.00 0.00 173.24 175.68 2qtb n ALA 213 N 0.02 3.32 -2.82 5.32 0.00 0.67 -4.62 120.51 122.39 2qtb n ALA 213 Ca 0.05 -3.11 -0.29 0.00 0.00 0.00 0.00 53.44 50.08 2qtb n ALA 213 Cb 0.50 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 18.97 2qtb n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qtb s LEU 214 N -3.53 2.01 -0.25 0.00 1.43 -1.24 -2.34 118.68 114.76 2qtb s LEU 214 Ca 0.31 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2qtb s LEU 214 Cb 0.38 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 45.47 2qtb s LEU 214 CO -0.02 0.21 0.12 0.26 0.23 0.00 0.00 176.35 177.15 2qtb s TRP 215 N -0.06 0.29 0.39 0.29 0.51 0.40 -5.00 118.94 115.76 2qtb s TRP 215 Ca -0.04 -0.69 -0.25 0.00 -2.12 0.00 0.00 56.10 52.99 2qtb s TRP 215 Cb -0.13 -0.83 -0.09 0.00 -0.81 0.00 0.00 33.47 31.61 2qtb s TRP 215 CO 0.03 -0.72 1.16 -1.58 -0.51 0.00 0.00 176.95 175.33 2qtb s TRP 216 N 2.11 3.12 0.85 -1.98 0.52 -1.26 -1.00 118.94 121.29 2qtb s TRP 216 Ca 0.06 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 2qtb s TRP 216 Cb -0.16 -3.37 0.10 0.00 -1.15 0.00 0.00 33.47 28.89 2qtb s TRP 216 CO -0.27 -1.23 1.09 -1.54 0.02 0.00 0.00 176.95 175.03 2qtb s SER 217 N -1.14 3.95 0.29 2.95 1.04 -0.12 -4.90 113.70 115.76 2qtb s SER 217 Ca 0.56 1.43 0.01 0.00 0.48 0.00 0.00 55.95 58.43 2qtb s SER 217 Cb -0.30 -2.14 0.68 0.00 0.10 0.00 0.00 66.02 64.37 2qtb s SER 217 CO 0.38 -2.33 1.63 -0.65 0.98 0.00 0.00 173.24 173.25 2qtb h PRO 218 N -1.34 0.15 -0.57 4.02 0.11 -1.90 -1.88 132.00 130.59 2qtb h PRO 218 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qtb h PRO 218 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qtb h PRO 218 CO 0.56 0.10 0.00 0.27 -0.21 0.00 0.00 178.00 178.72 2qtb n ASN 219 N -5.29 3.63 0.00 -2.05 0.23 -1.26 -4.43 115.26 106.09 2qtb n ASN 219 Ca 0.21 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 2qtb n ASN 219 Cb 0.67 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2qtb n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qtb n GLY 220 N 1.41 0.92 0.33 4.83 0.00 -0.71 -4.62 105.19 107.34 2qtb n GLY 220 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2qtb n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qtb h THR 221 N 0.00 0.37 -2.99 2.61 2.02 -1.93 -3.44 112.91 109.54 2qtb h THR 221 Ca 0.00 -0.23 -0.60 0.00 0.77 0.00 0.00 66.41 66.35 2qtb h THR 221 Cb 0.00 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2qtb h THR 221 CO 0.00 0.03 -0.42 -0.36 0.37 0.00 0.00 175.52 175.15 2qtb s PHE 222 N -5.36 3.50 -0.21 3.16 0.08 -1.26 -0.88 117.98 117.00 2qtb s PHE 222 Ca -0.16 0.37 -0.00 0.00 0.12 0.00 0.00 56.93 57.25 2qtb s PHE 222 Cb 0.03 -1.86 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2qtb s PHE 222 CO 0.56 0.51 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.98 2qtb s LEU 223 N -2.65 2.03 0.14 -0.37 2.96 -0.04 -0.95 118.68 119.79 2qtb s LEU 223 Ca 0.38 -0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 53.24 2qtb s LEU 223 Cb -0.12 -0.99 -0.06 0.00 0.50 0.00 0.00 46.19 45.52 2qtb s LEU 223 CO 0.27 -0.24 0.41 0.00 -1.32 0.00 0.00 176.35 175.47 2qtb s ALA 224 N 1.56 3.73 0.08 5.97 0.00 -0.17 -1.39 121.76 131.54 2qtb s ALA 224 Ca -0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 2qtb s ALA 224 Cb -0.18 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.78 2qtb s ALA 224 CO -0.07 0.61 0.51 1.52 0.00 0.00 0.00 175.76 178.33 2qtb s TYR 225 N -1.61 -0.40 0.21 0.00 1.13 0.17 -0.45 117.35 116.40 2qtb s TYR 225 Ca 0.40 0.33 0.07 0.00 -1.41 0.00 0.00 57.07 56.46 2qtb s TYR 225 Cb -0.12 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2qtb s TYR 225 CO 0.22 -0.69 0.10 0.00 -2.51 0.00 0.00 175.55 172.68 2qtb s ALA 226 N -2.91 3.43 -0.08 9.51 0.00 -0.99 -0.08 121.76 130.63 2qtb s ALA 226 Ca -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2qtb s ALA 226 Cb -0.00 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.96 2qtb s ALA 226 CO -0.05 0.39 -0.10 -1.14 0.00 0.00 0.00 175.76 174.85 2qtb s GLN 227 N -3.37 1.59 -0.08 0.00 0.74 0.03 -1.87 119.66 116.70 2qtb s GLN 227 Ca 0.31 -0.34 -0.00 0.00 0.05 0.00 0.00 55.36 55.38 2qtb s GLN 227 Cb -0.09 -1.45 -0.03 0.00 1.10 0.00 0.00 33.01 32.54 2qtb s GLN 227 CO 0.22 -0.10 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.76 2qtb s PHE 228 N 1.09 3.01 -0.25 1.67 0.08 0.10 -1.85 117.98 121.85 2qtb s PHE 228 Ca -0.07 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.04 2qtb s PHE 228 Cb -0.14 -1.76 0.05 0.00 -0.57 0.00 0.00 43.02 40.59 2qtb s PHE 228 CO -0.01 0.33 -0.11 1.21 -0.10 0.00 0.00 175.22 176.54 2qtb s ASN 229 N -0.71 4.20 -0.11 1.36 3.84 -0.38 -0.64 114.94 122.50 2qtb s ASN 229 Ca 0.11 -1.16 0.15 0.00 0.21 0.00 0.00 52.86 52.17 2qtb s ASN 229 Cb -0.11 -1.57 0.51 0.00 -0.55 0.00 0.00 41.25 39.53 2qtb s ASN 229 CO 0.02 -0.15 1.43 0.47 -2.79 0.00 0.00 177.10 176.08 2qtb n ASP 230 N 4.52 3.86 -0.33 -4.21 9.92 0.15 -1.41 116.55 129.05 2qtb n ASP 230 Ca -0.16 -2.57 0.04 0.00 -0.53 0.00 0.00 54.79 51.58 2qtb n ASP 230 Cb 0.44 -0.46 0.11 0.00 -0.64 0.00 0.00 41.12 40.58 2qtb n ASP 230 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2qtb n THR 231 N 0.22 -0.40 -0.57 -3.53 -1.04 -1.26 -0.75 114.28 106.96 2qtb n THR 231 Ca 0.19 2.09 0.09 0.00 -2.04 0.00 0.00 64.05 64.39 2qtb n THR 231 Cb 0.76 -2.88 0.33 0.00 -1.82 0.00 0.00 70.33 66.72 2qtb n THR 231 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qtb n GLU 232 N -5.46 3.46 -2.72 -2.82 1.02 -1.26 -4.94 120.64 107.92 2qtb n GLU 232 Ca 0.14 -2.77 -0.42 0.00 -0.02 0.00 0.00 57.16 54.08 2qtb n GLU 232 Cb 0.44 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2qtb n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qtb s VAL 233 N -1.71 4.79 0.92 2.62 1.01 0.07 -4.69 120.40 123.41 2qtb s VAL 233 Ca 0.47 1.98 -0.10 0.00 0.00 0.00 0.00 61.98 64.33 2qtb s VAL 233 Cb 0.30 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.53 2qtb s VAL 233 CO 0.24 -0.01 1.11 -2.65 0.00 0.00 0.00 175.10 173.79 2qtb n PRO 234 N 5.13 -0.44 -4.33 2.72 -0.02 -1.26 -4.67 135.00 132.13 2qtb n PRO 234 Ca 0.08 -0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.15 2qtb n PRO 234 Cb 0.49 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 2qtb n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qtb s LEU 235 N -6.27 3.62 0.03 2.45 1.43 -1.26 -1.25 118.68 117.42 2qtb s LEU 235 Ca 0.67 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 2qtb s LEU 235 Cb -0.23 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 2qtb s LEU 235 CO 0.58 0.35 0.52 -0.51 0.23 0.00 0.00 176.35 177.53 2qtb s ILE 236 N -0.73 4.86 -0.04 -0.59 1.10 0.52 -4.86 121.20 121.48 2qtb s ILE 236 Ca 0.12 1.10 0.04 0.00 -0.51 0.00 0.00 60.65 61.39 2qtb s ILE 236 Cb -0.12 -3.84 -0.00 0.00 0.15 0.00 0.00 42.46 38.65 2qtb s ILE 236 CO 0.02 0.54 -0.14 -1.61 -2.11 0.00 0.00 174.94 171.63 2qtb s GLU 237 N -0.91 1.49 0.12 3.50 2.02 -1.26 -1.32 118.70 122.35 2qtb s GLU 237 Ca 0.27 -0.51 -0.17 0.00 0.02 0.00 0.00 54.97 54.59 2qtb s GLU 237 Cb -0.18 -1.33 0.04 0.00 0.10 0.00 0.00 34.13 32.76 2qtb s GLU 237 CO 0.17 0.20 0.41 1.52 0.02 0.00 0.00 175.26 177.59 2qtb s TYR 238 N 0.07 -0.23 0.35 1.61 1.13 -0.88 -4.99 117.35 114.42 2qtb s TYR 238 Ca -0.03 -0.06 -0.16 0.00 -1.41 0.00 0.00 57.07 55.40 2qtb s TYR 238 Cb -0.10 0.27 -0.09 0.00 -1.10 0.00 0.00 41.96 40.94 2qtb s TYR 238 CO 0.01 -0.70 0.79 -1.12 -2.51 0.00 0.00 175.55 172.03 2qtb s SER 239 N -2.75 6.81 -0.09 -0.18 0.01 -1.26 -0.28 113.70 115.96 2qtb s SER 239 Ca 0.02 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2qtb s SER 239 Cb 0.02 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.85 2qtb s SER 239 CO -0.11 -0.25 -0.08 0.12 0.41 0.00 0.00 173.24 173.32 2qtb s PHE 240 N -2.05 1.33 -0.03 2.43 5.36 0.18 -4.65 117.98 120.55 2qtb s PHE 240 Ca 0.56 -0.58 0.09 0.00 -0.96 0.00 0.00 56.93 56.05 2qtb s PHE 240 Cb -0.10 -1.09 -0.23 0.00 -0.34 0.00 0.00 43.02 41.26 2qtb s PHE 240 CO 0.17 -0.39 0.72 1.88 -1.46 0.00 0.00 175.22 176.13 2qtb h TYR 241 N 7.71 0.07 -1.14 10.12 -1.99 -1.96 0.89 116.97 130.68 2qtb h TYR 241 Ca -0.30 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2qtb h TYR 241 Cb 1.15 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 2qtb h TYR 241 CO 0.48 1.09 0.00 0.45 -0.00 0.00 0.00 178.16 180.18 2qtb n SER 242 N -3.14 -3.42 -4.72 3.88 2.88 -1.26 -4.72 113.62 103.13 2qtb n SER 242 Ca -0.16 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.05 2qtb n SER 242 Cb 1.04 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.61 2qtb n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2qtb s ASP 243 N -4.00 3.87 0.50 -3.46 1.01 -1.26 -4.86 116.67 108.47 2qtb s ASP 243 Ca 0.00 2.19 0.34 0.00 0.71 0.00 0.00 52.55 55.79 2qtb s ASP 243 Cb 0.00 -2.57 1.76 0.00 1.01 0.00 0.00 42.92 43.13 2qtb s ASP 243 CO 0.00 -2.47 2.03 1.05 0.21 0.00 0.00 175.17 175.99 2qtb h GLU 244 N -0.93 0.00 0.00 8.23 4.11 -2.05 -1.36 114.58 122.58 2qtb h GLU 244 Ca -0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 2qtb h GLU 244 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qtb h GLU 244 CO 0.47 0.00 -0.16 0.66 0.07 0.00 0.00 179.01 180.06 2qtb h SER 245 N 0.00 0.00 -2.76 3.06 4.64 -1.93 -3.42 113.55 113.14 2qtb h SER 245 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2qtb h SER 245 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2qtb h SER 245 CO 0.00 0.16 1.17 -0.22 -0.87 0.00 0.00 176.83 177.07 2qtb s LEU 246 N -6.70 3.76 0.08 5.97 2.96 -0.51 -4.90 118.68 119.34 2qtb s LEU 246 Ca 0.00 1.49 -0.19 0.00 -0.22 0.00 0.00 54.13 55.21 2qtb s LEU 246 Cb 0.10 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.18 2qtb s LEU 246 CO 0.61 -1.40 1.53 -0.61 -1.32 0.00 0.00 176.35 175.15 2qtb h GLN 247 N 11.38 0.42 -5.24 1.98 4.15 -1.89 -3.42 115.11 122.48 2qtb h GLN 247 Ca -0.33 -0.13 -0.64 0.00 0.77 0.00 0.00 58.65 58.31 2qtb h GLN 247 Cb 1.16 -0.04 -0.23 0.00 0.21 0.00 0.00 27.48 28.57 2qtb h GLN 247 CO 1.01 0.58 -0.69 0.71 -1.93 0.00 0.00 178.83 178.52 2qtb s TYR 248 N -5.04 2.98 0.56 3.99 2.02 -1.26 -5.09 117.35 115.51 2qtb s TYR 248 Ca -0.14 -0.45 -0.21 0.00 -0.37 0.00 0.00 57.07 55.90 2qtb s TYR 248 Cb 0.07 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2qtb s TYR 248 CO 0.74 -0.15 1.31 -2.30 -1.57 0.00 0.00 175.55 173.58 2qtb n PRO 249 N 3.77 1.54 -3.42 -1.71 -0.02 -1.26 -4.97 135.00 128.92 2qtb n PRO 249 Ca -0.18 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.53 2qtb n PRO 249 Cb 0.52 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 2qtb n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qtb s LYS 250 N -2.93 3.88 -0.31 -0.52 2.20 0.31 -4.89 119.74 117.48 2qtb s LYS 250 Ca 0.73 0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 56.62 2qtb s LYS 250 Cb -0.41 -2.88 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2qtb s LYS 250 CO 0.48 0.46 0.14 0.99 -0.36 0.00 0.00 175.35 177.05 2qtb s THR 251 N -1.54 4.48 0.06 3.43 2.01 -1.26 0.48 115.64 123.31 2qtb s THR 251 Ca 0.39 -0.48 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 2qtb s THR 251 Cb -0.14 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 2qtb s THR 251 CO 0.19 0.06 0.69 -0.69 -0.69 0.00 0.00 174.62 174.19 2qtb s VAL 252 N 1.59 4.69 -0.13 3.82 1.01 0.61 -4.92 120.40 127.08 2qtb s VAL 252 Ca 0.04 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2qtb s VAL 252 Cb -0.17 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2qtb s VAL 252 CO 0.05 0.45 -0.12 -0.13 0.00 0.00 0.00 175.10 175.35 2qtb s ARG 253 N -0.51 2.00 -0.08 2.72 0.52 -1.26 -2.07 118.95 120.27 2qtb s ARG 253 Ca 0.34 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2qtb s ARG 253 Cb -0.20 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.39 2qtb s ARG 253 CO 0.22 -0.24 -0.10 0.08 0.02 0.00 0.00 175.30 175.28 2qtb s VAL 254 N 1.53 1.06 -0.17 3.52 1.01 -0.43 -4.93 120.40 121.99 2qtb s VAL 254 Ca 0.04 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2qtb s VAL 254 Cb -0.13 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2qtb s VAL 254 CO -0.09 0.35 1.90 -2.84 0.00 0.00 0.00 175.10 174.42 2qtb s PRO 255 N 1.00 3.61 -0.17 2.72 0.02 -1.26 -0.35 135.00 140.57 2qtb s PRO 255 Ca -0.08 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 2qtb s PRO 255 Cb -0.15 -4.19 0.07 0.00 0.02 0.00 0.00 34.50 30.26 2qtb s PRO 255 CO -0.00 -1.53 0.16 -0.47 -0.33 0.00 0.00 177.00 174.82 2qtb s TYR 256 N 6.19 -0.07 -0.39 6.54 6.14 -0.38 -4.50 117.35 130.88 2qtb s TYR 256 Ca 0.85 0.06 -0.27 0.00 0.64 0.00 0.00 57.07 58.35 2qtb s TYR 256 Cb -0.31 -0.48 0.02 0.00 0.42 0.00 0.00 41.96 41.60 2qtb s TYR 256 CO 0.34 -0.52 1.00 -1.25 0.64 0.00 0.00 175.55 175.77 2qtb s PRO 257 N 2.24 3.84 0.72 4.97 0.04 -1.26 -4.58 135.00 140.97 2qtb s PRO 257 Ca 0.04 0.66 -0.10 0.00 0.04 0.00 0.00 61.00 61.64 2qtb s PRO 257 Cb -0.15 -3.82 0.04 0.00 0.04 0.00 0.00 34.50 30.60 2qtb s PRO 257 CO -0.10 -1.05 1.08 0.15 0.04 0.00 0.00 177.00 177.12 2qtb s LYS 258 N 3.74 2.55 0.01 4.56 1.02 -1.26 -0.75 119.74 129.60 2qtb s LYS 258 Ca 0.42 0.21 -0.37 0.00 0.02 0.00 0.00 55.97 56.25 2qtb s LYS 258 Cb -0.11 -2.06 -0.16 0.00 -0.52 0.00 0.00 37.83 34.98 2qtb s LYS 258 CO 0.21 -1.16 1.46 0.00 -0.92 0.00 0.00 175.35 174.95 2qtb n ALA 259 N -3.02 -0.57 0.00 5.17 0.00 -0.37 -0.94 120.51 120.78 2qtb n ALA 259 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2qtb n ALA 259 Cb 0.59 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2qtb n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qtb n GLY 260 N 3.01 2.56 3.81 0.00 0.00 -1.26 -4.88 105.19 108.44 2qtb n GLY 260 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2qtb n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtb s ALA 261 N -2.22 1.76 0.08 4.61 0.00 -0.12 -4.98 121.76 120.89 2qtb s ALA 261 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 2qtb s ALA 261 Cb 0.00 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 2qtb s ALA 261 CO 0.00 -2.65 1.32 0.08 0.00 0.00 0.00 175.76 174.51 2qtb s VAL 262 N -3.52 3.61 0.32 0.00 1.01 -1.26 -4.90 120.40 115.66 2qtb s VAL 262 Ca 0.70 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.83 2qtb s VAL 262 Cb -0.08 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2qtb s VAL 262 CO 0.54 0.08 0.51 0.20 0.00 0.00 0.00 175.10 176.43 2qtb s ASN 263 N 1.17 6.32 0.74 3.32 0.01 -1.26 -4.41 114.94 120.81 2qtb s ASN 263 Ca 0.62 0.42 -0.11 0.00 -0.71 0.00 0.00 52.86 53.09 2qtb s ASN 263 Cb -0.34 -2.02 0.03 0.00 0.41 0.00 0.00 41.25 39.34 2qtb s ASN 263 CO 0.29 -0.24 1.08 -2.16 -1.51 0.00 0.00 177.10 174.56 2qtb s PRO 264 N -4.13 2.58 0.33 -0.60 0.04 -1.26 -4.81 135.00 127.15 2qtb s PRO 264 Ca 0.39 1.04 0.08 0.00 0.04 0.00 0.00 61.00 62.55 2qtb s PRO 264 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2qtb s PRO 264 CO 0.34 -1.38 0.19 0.95 0.04 0.00 0.00 177.00 177.14 2qtb s THR 265 N -2.98 3.32 0.02 1.26 -4.23 -0.50 -4.92 115.64 107.61 2qtb s THR 265 Ca 0.60 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2qtb s THR 265 Cb -0.15 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 2qtb s THR 265 CO 0.55 -0.20 -0.03 0.54 -0.54 0.00 0.00 174.62 174.94 2qtb s VAL 266 N -2.36 0.14 0.07 2.29 0.11 -1.26 -1.25 120.40 118.14 2qtb s VAL 266 Ca 0.38 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2qtb s VAL 266 Cb -0.04 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2qtb s VAL 266 CO 0.24 -0.37 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.02 2qtb s LYS 267 N -1.15 0.68 -0.06 1.54 1.02 -0.77 -4.98 119.74 116.02 2qtb s LYS 267 Ca -0.12 -1.04 0.05 0.00 0.02 0.00 0.00 55.97 54.88 2qtb s LYS 267 Cb -0.08 -0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 36.98 2qtb s LYS 267 CO -0.01 0.02 -0.21 0.12 -0.92 0.00 0.00 175.35 174.35 2qtb s PHE 268 N -2.50 2.11 0.14 3.18 5.36 -1.26 -0.79 117.98 124.23 2qtb s PHE 268 Ca 0.01 -0.67 0.05 0.00 -0.96 0.00 0.00 56.93 55.35 2qtb s PHE 268 Cb -0.02 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 41.20 2qtb s PHE 268 CO -0.02 -0.23 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.34 2qtb s PHE 269 N 0.05 1.28 -0.02 10.12 0.40 0.88 -1.58 117.98 129.11 2qtb s PHE 269 Ca -0.07 -0.72 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 2qtb s PHE 269 Cb -0.14 -0.65 0.02 0.00 0.51 0.00 0.00 43.02 42.76 2qtb s PHE 269 CO 0.04 0.09 -0.02 0.08 0.70 0.00 0.00 175.22 176.11 2qtb s VAL 270 N -3.13 0.31 0.02 -0.44 1.01 0.76 -0.66 120.40 118.27 2qtb s VAL 270 Ca 0.15 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.13 2qtb s VAL 270 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 2qtb s VAL 270 CO 0.01 0.15 -0.15 0.54 0.00 0.00 0.00 175.10 175.65 2qtb s VAL 271 N 0.63 1.17 -0.45 2.92 0.11 -0.49 -0.24 120.40 124.06 2qtb s VAL 271 Ca -0.07 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 57.92 2qtb s VAL 271 Cb -0.10 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2qtb s VAL 271 CO -0.01 0.18 0.79 0.21 -3.33 0.00 0.00 175.10 172.94 2qtb s ASN 272 N -0.75 6.42 0.00 3.54 3.84 -1.26 -0.86 114.94 125.86 2qtb s ASN 272 Ca 0.04 -0.10 0.30 0.00 0.21 0.00 0.00 52.86 53.32 2qtb s ASN 272 Cb -0.07 -2.39 1.67 0.00 -0.55 0.00 0.00 41.25 39.91 2qtb s ASN 272 CO 0.00 -0.92 2.10 0.35 -2.79 0.00 0.00 177.10 175.85 2qtb n THR 273 N 6.14 0.02 0.49 -5.21 -2.24 -0.06 -3.19 114.28 110.23 2qtb n THR 273 Ca 0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 2qtb n THR 273 Cb 0.48 -0.52 0.12 0.00 -2.10 0.00 0.00 70.33 68.32 2qtb n THR 273 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qtb h ASP 274 N 0.00 0.00 -0.94 3.42 3.32 -1.89 -3.36 116.42 116.97 2qtb h ASP 274 Ca 0.00 -0.20 -0.57 0.00 0.02 0.00 0.00 57.03 56.28 2qtb h ASP 274 Cb 0.14 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.28 2qtb h ASP 274 CO 0.00 0.10 -0.66 -1.54 -1.72 0.00 0.00 179.24 175.42 2qtb n SER 275 N -2.19 5.12 -4.80 6.45 3.41 -1.19 -5.04 113.62 115.37 2qtb n SER 275 Ca 0.03 -3.75 -0.37 0.00 -0.26 0.00 0.00 58.87 54.51 2qtb n SER 275 Cb 0.46 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 2qtb n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qtb s LEU 276 N -3.61 4.44 0.09 1.04 1.43 -1.26 -4.97 118.68 115.85 2qtb s LEU 276 Ca 0.51 1.45 0.09 0.00 -1.03 0.00 0.00 54.13 55.16 2qtb s LEU 276 Cb 0.42 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2qtb s LEU 276 CO -0.02 0.12 -0.23 -0.55 0.23 0.00 0.00 176.35 175.91 2qtb s SER 277 N -1.43 3.53 0.02 2.29 0.15 -1.26 -5.00 113.70 112.01 2qtb s SER 277 Ca 0.39 -0.60 0.26 0.00 0.70 0.00 0.00 55.95 56.70 2qtb s SER 277 Cb -0.19 -0.40 0.71 0.00 -1.71 0.00 0.00 66.02 64.43 2qtb s SER 277 CO 0.22 0.21 1.56 -1.20 1.20 0.00 0.00 173.24 175.24 2qtb n SER 278 N 1.20 0.40 -0.00 5.45 7.64 -1.26 -3.70 113.62 123.34 2qtb n SER 278 Ca -0.17 0.05 0.07 0.00 1.01 0.00 0.00 58.87 59.83 2qtb n SER 278 Cb 0.52 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 2qtb n SER 278 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2qtb n VAL 279 N -1.61 0.00 -4.44 0.44 0.31 -1.26 -4.99 118.33 106.78 2qtb n VAL 279 Ca 0.06 -0.28 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 2qtb n VAL 279 Cb 0.35 0.44 -0.14 0.00 -0.91 0.00 0.00 33.84 33.59 2qtb n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qtb s THR 280 N -2.78 1.10 0.04 2.52 2.01 -1.24 -5.11 115.64 112.18 2qtb s THR 280 Ca -0.02 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 60.82 2qtb s THR 280 Cb 0.10 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 2qtb s THR 280 CO 0.59 0.11 1.37 0.20 -0.69 0.00 0.00 174.62 176.20 2qtb s ASN 281 N -0.86 6.87 0.38 3.53 0.01 -1.26 -4.16 114.94 119.45 2qtb s ASN 281 Ca 0.03 2.16 -0.24 0.00 -0.71 0.00 0.00 52.86 54.10 2qtb s ASN 281 Cb -0.07 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.89 2qtb s ASN 281 CO 0.01 -0.67 0.59 0.00 -1.51 0.00 0.00 177.10 175.52 2qtb n ALA 282 N 4.78 -1.53 -3.04 0.60 0.00 -1.26 -4.96 120.51 115.10 2qtb n ALA 282 Ca 0.12 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 2qtb n ALA 282 Cb 0.44 -1.78 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 2qtb n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qtb s THR 283 N -1.37 4.09 -0.17 0.00 2.01 -1.26 -5.01 115.64 113.93 2qtb s THR 283 Ca 0.62 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 2qtb s THR 283 Cb -0.65 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2qtb s THR 283 CO 0.58 0.43 0.08 -0.44 -0.69 0.00 0.00 174.62 174.58 2qtb s SER 284 N 0.94 5.78 -0.16 3.53 0.01 -1.26 -4.55 113.70 117.99 2qtb s SER 284 Ca 0.02 0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 2qtb s SER 284 Cb -0.14 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2qtb s SER 284 CO 0.02 0.21 0.39 -0.63 0.41 0.00 0.00 173.24 173.64 2qtb s ILE 285 N 0.18 5.23 0.12 1.44 -1.09 0.67 -4.86 121.20 122.88 2qtb s ILE 285 Ca 0.05 0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 59.09 2qtb s ILE 285 Cb -0.12 -3.73 -0.06 0.00 -1.58 0.00 0.00 42.46 36.97 2qtb s ILE 285 CO 0.00 0.33 0.49 -1.58 -1.23 0.00 0.00 174.94 172.95 2qtb s GLN 286 N 0.77 3.90 -0.24 2.79 0.74 -1.26 -0.17 119.66 126.19 2qtb s GLN 286 Ca 0.21 0.38 0.02 0.00 0.05 0.00 0.00 55.36 56.02 2qtb s GLN 286 Cb -0.14 -2.97 0.05 0.00 1.10 0.00 0.00 33.01 31.05 2qtb s GLN 286 CO 0.07 0.52 -0.11 0.42 -0.55 0.00 0.00 175.29 175.64 2qtb s ILE 287 N -1.42 2.01 0.51 -2.34 1.01 -0.61 -4.88 121.20 115.47 2qtb s ILE 287 Ca 0.35 -1.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 2qtb s ILE 287 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 2qtb s ILE 287 CO 0.19 0.04 0.89 0.42 0.00 0.00 0.00 174.94 176.47 2qtb s THR 288 N 1.20 4.75 0.60 2.92 -4.23 -1.26 -4.13 115.64 115.49 2qtb s THR 288 Ca -0.06 0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 2qtb s THR 288 Cb -0.19 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 2qtb s THR 288 CO -0.06 -0.82 1.02 0.00 -0.54 0.00 0.00 174.62 174.22 2qtb s ALA 289 N -2.75 3.07 0.75 3.99 0.00 -1.26 -5.02 121.76 120.55 2qtb s ALA 289 Ca 0.53 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 2qtb s ALA 289 Cb -0.10 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2qtb s ALA 289 CO 0.41 -0.62 1.20 -1.25 0.00 0.00 0.00 175.76 175.51 2qtb s PRO 290 N -4.93 2.02 0.33 0.00 0.04 -1.26 -4.69 135.00 126.51 2qtb s PRO 290 Ca 0.56 1.73 0.06 0.00 0.04 0.00 0.00 61.00 63.39 2qtb s PRO 290 Cb -0.11 -1.82 0.72 0.00 0.04 0.00 0.00 34.50 33.33 2qtb s PRO 290 CO 0.49 -1.92 1.86 0.00 0.04 0.00 0.00 177.00 177.47 2qtb h ALA 291 N -0.48 1.71 0.00 8.56 0.00 -1.98 0.23 119.26 127.30 2qtb h ALA 291 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qtb h ALA 291 Cb 1.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qtb h ALA 291 CO 0.49 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 2qtb n SER 292 N -4.58 0.00 -0.11 0.00 3.41 -1.26 -2.21 113.62 108.86 2qtb n SER 292 Ca 0.18 0.47 -0.19 0.00 -0.26 0.00 0.00 58.87 59.06 2qtb n SER 292 Cb 0.42 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 2qtb n SER 292 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2qtb n MET 293 N -1.48 0.52 0.16 4.33 0.00 0.70 -4.49 117.12 116.85 2qtb n MET 293 Ca 0.02 0.17 0.12 0.00 0.00 0.00 0.00 57.70 58.00 2qtb n MET 293 Cb 0.09 -1.39 0.57 0.00 0.00 0.00 0.00 33.22 32.49 2qtb n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2qtb n LEU 294 N -3.54 0.62 0.21 -0.89 4.77 -0.45 -2.51 117.00 115.21 2qtb n LEU 294 Ca -0.42 0.74 0.15 0.00 -0.03 0.00 0.00 56.01 56.45 2qtb n LEU 294 Cb 0.87 -0.75 0.71 0.00 -2.33 0.00 0.00 43.42 41.92 2qtb n LEU 294 CO 0.13 -0.83 0.94 0.16 -1.33 0.00 0.00 177.39 176.45 2qtb h ILE 295 N 0.00 0.00 -1.79 -0.08 3.07 -1.69 -3.46 117.51 113.56 2qtb h ILE 295 Ca 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2qtb h ILE 295 Cb 0.13 0.86 -0.00 0.00 -0.27 0.00 0.00 36.82 37.53 2qtb h ILE 295 CO 0.00 0.00 0.02 0.61 -1.05 0.00 0.00 178.15 177.73 2qtb n GLY 296 N -0.74 1.53 3.70 0.16 0.00 -1.04 -5.14 105.19 103.67 2qtb n GLY 296 Ca -0.01 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 2qtb n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qtb n ASP 297 N -0.77 2.41 -3.26 1.61 8.00 -1.26 -4.93 116.55 118.35 2qtb n ASP 297 Ca -0.00 1.05 -0.09 0.00 0.71 0.00 0.00 54.79 56.45 2qtb n ASP 297 Cb 0.03 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 39.62 2qtb n ASP 297 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2qtb s HIS 298 N -1.25 0.21 0.07 1.24 -3.43 -1.26 -1.89 115.29 108.97 2qtb s HIS 298 Ca 0.65 -0.75 0.02 0.00 -0.80 0.00 0.00 55.06 54.18 2qtb s HIS 298 Cb -0.47 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.27 2qtb s HIS 298 CO 0.55 -1.39 -0.07 0.71 -2.00 0.00 0.00 174.74 172.54 2qtb s TYR 299 N -2.90 0.74 -0.26 0.38 2.02 0.15 -4.83 117.35 112.63 2qtb s TYR 299 Ca 0.17 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 56.00 2qtb s TYR 299 Cb -0.04 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2qtb s TYR 299 CO 0.12 -0.15 0.26 -1.17 -1.57 0.00 0.00 175.55 173.04 2qtb s LEU 300 N -2.37 4.05 -0.00 -1.29 2.96 -1.26 -0.75 118.68 120.02 2qtb s LEU 300 Ca 0.01 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 2qtb s LEU 300 Cb -0.01 -2.25 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 2qtb s LEU 300 CO -0.03 -0.08 0.26 0.00 -1.32 0.00 0.00 176.35 175.19 2qtb s ASP 302 N -1.59 -0.64 -0.04 0.00 -1.08 -1.17 -4.89 116.67 107.27 2qtb s ASP 302 Ca 0.02 1.04 -0.02 0.00 -0.52 0.00 0.00 52.55 53.08 2qtb s ASP 302 Cb 0.05 1.00 0.03 0.00 -1.46 0.00 0.00 42.92 42.53 2qtb s ASP 302 CO 0.25 -0.34 0.05 -0.69 0.52 0.00 0.00 175.17 174.96 2qtb s VAL 303 N -0.22 -0.06 -0.06 1.11 1.01 -1.26 -1.43 120.40 119.48 2qtb s VAL 303 Ca -0.03 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 2qtb s VAL 303 Cb -0.03 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.21 2qtb s VAL 303 CO 0.02 0.18 0.12 -0.89 0.00 0.00 0.00 175.10 174.53 2qtb s THR 304 N 2.02 -0.12 0.30 3.92 2.01 -0.75 -5.03 115.64 117.99 2qtb s THR 304 Ca 0.03 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 2qtb s THR 304 Cb -0.12 -0.22 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 2qtb s THR 304 CO -0.03 0.11 1.01 0.26 -0.69 0.00 0.00 174.62 175.27 2qtb s TRP 305 N 1.58 3.67 -0.26 4.92 0.52 -1.26 -1.20 118.94 126.90 2qtb s TRP 305 Ca -0.04 1.77 -0.09 0.00 0.02 0.00 0.00 56.10 57.76 2qtb s TRP 305 Cb -0.12 -3.08 -0.13 0.00 -1.15 0.00 0.00 33.47 28.99 2qtb s TRP 305 CO -0.05 -0.09 -0.31 0.00 0.02 0.00 0.00 176.95 176.52 2qtb n ALA 306 N 0.90 1.33 -3.62 0.98 0.00 0.02 -4.87 120.51 115.25 2qtb n ALA 306 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.29 2qtb n ALA 306 Cb 0.48 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2qtb n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qtb n THR 307 N -3.91 0.00 0.26 0.00 -2.24 -0.85 -4.56 114.28 102.98 2qtb n THR 307 Ca -0.50 -1.10 0.16 0.00 -2.27 0.00 0.00 64.05 60.34 2qtb n THR 307 Cb 0.90 0.64 0.87 0.00 -2.10 0.00 0.00 70.33 70.64 2qtb n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qtb h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.98 -3.03 115.11 110.40 2qtb h GLN 308 Ca -0.15 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 2qtb h GLN 308 Cb 0.67 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.05 2qtb h GLN 308 CO 0.21 0.00 -0.42 0.39 -0.95 0.00 0.00 178.83 178.06 2qtb n GLU 309 N -3.85 0.57 -3.77 1.46 1.02 -1.26 -4.87 120.64 109.93 2qtb n GLU 309 Ca -0.01 -1.88 -0.18 0.00 -0.02 0.00 0.00 57.16 55.08 2qtb n GLU 309 Cb 0.18 -0.86 -0.17 0.00 -0.02 0.00 0.00 31.44 30.58 2qtb n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2qtb s ARG 310 N -1.25 0.07 0.02 3.49 3.52 -1.15 -0.02 118.95 123.64 2qtb s ARG 310 Ca 0.19 0.22 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 2qtb s ARG 310 Cb 0.18 -0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2qtb s ARG 310 CO -0.02 -0.22 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.57 2qtb s ILE 311 N 1.46 1.45 0.08 4.11 2.07 0.56 -0.80 121.20 130.14 2qtb s ILE 311 Ca -0.04 -0.96 0.08 0.00 -1.41 0.00 0.00 60.65 58.32 2qtb s ILE 311 Cb -0.13 -1.24 -0.04 0.00 0.13 0.00 0.00 42.46 41.18 2qtb s ILE 311 CO -0.03 0.26 -0.16 -0.94 -1.91 0.00 0.00 174.94 172.16 2qtb s SER 312 N -0.81 3.98 -0.00 4.50 1.04 -0.34 -0.10 113.70 121.96 2qtb s SER 312 Ca 0.06 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2qtb s SER 312 Cb -0.08 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2qtb s SER 312 CO 0.01 0.21 -0.01 -0.76 0.98 0.00 0.00 173.24 173.67 2qtb s LEU 313 N -1.89 1.95 -0.10 2.42 1.43 -0.24 -1.81 118.68 120.44 2qtb s LEU 313 Ca 0.17 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2qtb s LEU 313 Cb -0.11 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.05 2qtb s LEU 313 CO 0.09 0.00 -0.10 -1.10 0.23 0.00 0.00 176.35 175.47 2qtb s GLN 314 N 0.04 3.10 0.09 1.70 -0.21 -0.52 0.03 119.66 123.90 2qtb s GLN 314 Ca -0.00 -0.63 0.08 0.00 0.02 0.00 0.00 55.36 54.83 2qtb s GLN 314 Cb -0.01 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2qtb s GLN 314 CO -0.00 0.41 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.81 2qtb s TRP 315 N -0.14 2.54 -0.02 0.91 0.52 0.52 -1.05 118.94 122.21 2qtb s TRP 315 Ca 0.00 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 55.89 2qtb s TRP 315 Cb -0.13 -1.38 0.00 0.00 -1.15 0.00 0.00 33.47 30.80 2qtb s TRP 315 CO 0.03 0.34 -0.10 -1.17 0.02 0.00 0.00 176.95 176.07 2qtb s LEU 316 N -1.92 1.85 0.62 2.99 2.96 0.07 -0.63 118.68 124.62 2qtb s LEU 316 Ca 0.17 -0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 2qtb s LEU 316 Cb -0.11 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 2qtb s LEU 316 CO 0.08 0.09 1.05 -0.13 -1.32 0.00 0.00 176.35 176.13 2qtb s ARG 317 N 0.08 3.23 0.39 1.98 0.52 -0.96 0.29 118.95 124.49 2qtb s ARG 317 Ca -0.02 1.10 0.11 0.00 -0.52 0.00 0.00 55.73 56.41 2qtb s ARG 317 Cb -0.08 -2.02 0.91 0.00 0.52 0.00 0.00 34.95 34.28 2qtb s ARG 317 CO 0.00 -0.88 1.93 -0.09 0.02 0.00 0.00 175.30 176.28 2qtb h ARG 318 N 0.07 0.55 -5.78 3.54 2.43 -1.70 -3.08 114.38 110.42 2qtb h ARG 318 Ca -0.46 -0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.08 2qtb h ARG 318 Cb 1.21 -0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 2qtb h ARG 318 CO 0.57 0.36 0.74 0.42 -1.51 0.00 0.00 179.97 180.56 2qtb s ILE 319 N -5.54 4.10 0.00 1.20 -1.09 -1.26 -4.81 121.20 113.80 2qtb s ILE 319 Ca -0.09 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2qtb s ILE 319 Cb 0.21 -4.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.31 2qtb s ILE 319 CO 0.77 -1.61 0.99 0.00 -1.23 0.00 0.00 174.94 173.86 2qtb n GLN 320 N 8.32 0.52 -0.12 2.79 6.02 -1.16 -3.72 117.38 130.02 2qtb n GLN 320 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 2qtb n GLN 320 Cb 0.47 -1.24 0.11 0.00 1.02 0.00 0.00 30.24 30.59 2qtb n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2qtb n ASN 321 N 1.66 2.65 -3.66 1.08 0.23 -1.26 -1.50 115.26 114.45 2qtb n ASN 321 Ca 0.00 -1.99 -0.13 0.00 -0.53 0.00 0.00 54.58 51.93 2qtb n ASN 321 Cb 0.26 -0.16 -0.13 0.00 -2.08 0.00 0.00 39.78 37.67 2qtb n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qtb s TYR 322 N -1.00 -0.49 0.09 -2.53 6.14 -1.24 -1.82 117.35 116.50 2qtb s TYR 322 Ca 0.16 1.07 0.03 0.00 0.64 0.00 0.00 57.07 58.98 2qtb s TYR 322 Cb 0.09 0.03 -0.03 0.00 0.42 0.00 0.00 41.96 42.46 2qtb s TYR 322 CO 0.11 -0.37 -0.10 -1.54 0.64 0.00 0.00 175.55 174.29 2qtb s SER 323 N 2.42 1.37 -0.05 4.32 1.04 -0.05 -2.25 113.70 120.51 2qtb s SER 323 Ca 0.00 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.66 2qtb s SER 323 Cb -0.12 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.03 2qtb s SER 323 CO -0.09 -0.26 -0.08 -0.69 0.98 0.00 0.00 173.24 173.09 2qtb s VAL 324 N -2.37 0.79 -0.19 5.02 1.01 0.20 -1.17 120.40 123.68 2qtb s VAL 324 Ca 0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2qtb s VAL 324 Cb -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2qtb s VAL 324 CO -0.00 0.27 0.08 -0.32 0.00 0.00 0.00 175.10 175.13 2qtb s MET 325 N 0.65 4.01 -0.08 2.72 1.75 0.78 -0.36 119.30 128.77 2qtb s MET 325 Ca -0.11 -0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.02 2qtb s MET 325 Cb -0.13 -3.29 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 2qtb s MET 325 CO 0.01 0.24 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.05 2qtb s ASP 326 N 0.48 4.65 -0.22 1.11 1.01 0.10 -1.45 116.67 122.36 2qtb s ASP 326 Ca 0.04 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 2qtb s ASP 326 Cb -0.12 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.56 2qtb s ASP 326 CO 0.00 0.33 -0.11 -0.63 0.21 0.00 0.00 175.17 174.97 2qtb s ILE 327 N -0.63 2.60 -0.08 0.77 1.01 -1.26 -1.08 121.20 122.53 2qtb s ILE 327 Ca 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2qtb s ILE 327 Cb -0.12 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2qtb s ILE 327 CO 0.02 0.34 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 2qtb s ASP 329 N -0.06 4.89 0.18 0.00 1.11 -0.22 -0.32 116.67 122.24 2qtb s ASP 329 Ca -0.05 0.05 -0.30 0.00 0.18 0.00 0.00 52.55 52.42 2qtb s ASP 329 Cb -0.14 -1.30 -0.08 0.00 1.07 0.00 0.00 42.92 42.47 2qtb s ASP 329 CO 0.04 0.37 1.08 -0.47 1.18 0.00 0.00 175.17 177.37 2qtb s TYR 330 N -0.82 3.63 -0.36 4.23 5.04 0.97 -1.79 117.35 128.25 2qtb s TYR 330 Ca 0.12 1.63 -0.08 0.00 -2.44 0.00 0.00 57.07 56.31 2qtb s TYR 330 Cb -0.11 -3.24 0.05 0.00 0.35 0.00 0.00 41.96 39.00 2qtb s TYR 330 CO 0.02 -0.50 0.16 0.34 -1.34 0.00 0.00 175.55 174.23 2qtb s ASP 331 N -0.15 5.45 0.44 4.32 -1.08 0.04 -4.98 116.67 120.72 2qtb s ASP 331 Ca 0.49 -1.21 0.30 0.00 -0.52 0.00 0.00 52.55 51.61 2qtb s ASP 331 Cb -0.29 -1.92 1.49 0.00 -1.46 0.00 0.00 42.92 40.74 2qtb s ASP 331 CO 0.34 -0.38 1.92 -0.33 0.52 0.00 0.00 175.17 177.24 2qtb h GLU 332 N 8.29 0.00 0.01 4.34 5.08 -1.96 0.52 114.58 130.86 2qtb h GLU 332 Ca -0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2qtb h GLU 332 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2qtb h GLU 332 CO 0.65 0.00 -0.00 0.77 -1.00 0.00 0.00 179.01 179.42 2qtb h SER 333 N 0.00 -0.01 0.13 1.42 0.02 -1.95 -3.37 113.55 109.79 2qtb h SER 333 Ca 0.00 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2qtb h SER 333 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2qtb h SER 333 CO 0.00 0.83 -1.41 -1.54 -1.14 0.00 0.00 176.83 173.57 2qtb n SER 334 N -4.69 0.50 -0.61 3.07 3.41 -1.18 -4.96 113.62 109.16 2qtb n SER 334 Ca -0.09 -0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 58.07 2qtb n SER 334 Cb 0.40 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.65 2qtb n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qtb n GLY 335 N 1.36 0.82 3.81 5.00 0.00 0.18 -5.01 105.19 111.34 2qtb n GLY 335 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2qtb n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtb s ARG 336 N -2.90 2.41 -0.21 1.61 1.81 -1.21 -4.89 118.95 115.57 2qtb s ARG 336 Ca 0.00 -1.63 -0.04 0.00 -1.72 0.00 0.00 55.73 52.34 2qtb s ARG 336 Cb 0.00 -2.22 -0.01 0.00 -0.45 0.00 0.00 34.95 32.28 2qtb s ARG 336 CO 0.00 -0.11 -0.05 -1.58 -0.68 0.00 0.00 175.30 172.88 2qtb s TRP 337 N -2.50 2.95 -0.11 -0.53 0.52 -1.26 -0.78 118.94 117.23 2qtb s TRP 337 Ca 0.44 -0.93 -0.03 0.00 0.02 0.00 0.00 56.10 55.60 2qtb s TRP 337 Cb -0.01 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 2qtb s TRP 337 CO 0.25 -0.53 -0.00 -0.80 0.02 0.00 0.00 176.95 175.89 2qtb s ASN 338 N 1.41 5.15 -0.53 2.95 0.02 -0.74 -4.90 114.94 118.30 2qtb s ASN 338 Ca 0.05 0.07 0.03 0.00 -1.02 0.00 0.00 52.86 51.99 2qtb s ASN 338 Cb -0.14 -1.56 0.13 0.00 0.02 0.00 0.00 41.25 39.70 2qtb s ASN 338 CO -0.03 0.32 0.28 0.00 0.02 0.00 0.00 177.10 177.69 2qtb n LEU 340 N 3.26 2.66 -0.21 0.00 4.77 -1.25 -4.86 117.00 121.37 2qtb n LEU 340 Ca 0.05 1.07 0.10 0.00 -0.03 0.00 0.00 56.01 57.21 2qtb n LEU 340 Cb 0.34 -1.32 0.39 0.00 -2.33 0.00 0.00 43.42 40.50 2qtb n LEU 340 CO 0.33 -0.48 1.22 1.62 -1.33 0.00 0.00 177.39 178.74 2qtb h VAL 341 N 4.04 0.91 0.00 4.08 3.04 -1.98 0.95 116.25 127.29 2qtb h VAL 341 Ca -0.47 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2qtb h VAL 341 Cb 1.29 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2qtb h VAL 341 CO 0.87 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 177.56 2qtb h ALA 342 N 1.61 1.00 -0.68 3.17 0.00 -1.95 -1.32 119.26 121.09 2qtb h ALA 342 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2qtb h ALA 342 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qtb h ALA 342 CO -0.15 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.64 2qtb n ARG 343 N -2.65 3.28 -2.79 0.00 1.74 0.33 -4.43 116.66 112.15 2qtb n ARG 343 Ca -0.01 -2.73 -0.35 0.00 -0.77 0.00 0.00 57.85 53.99 2qtb n ARG 343 Cb 0.13 -1.76 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 2qtb n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qtb s GLN 344 N -1.52 4.38 -0.09 5.56 -0.21 -0.50 -4.15 119.66 123.13 2qtb s GLN 344 Ca 0.50 1.23 -0.01 0.00 0.02 0.00 0.00 55.36 57.10 2qtb s GLN 344 Cb 0.29 -2.47 0.03 0.00 1.00 0.00 0.00 33.01 31.87 2qtb s GLN 344 CO 0.28 0.09 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.52 2qtb s HIS 345 N -1.91 0.89 0.03 0.91 3.76 -0.53 -4.89 115.29 113.55 2qtb s HIS 345 Ca 0.57 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 55.03 2qtb s HIS 345 Cb -0.14 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.58 2qtb s HIS 345 CO 0.18 -0.39 0.34 0.42 -0.85 0.00 0.00 174.74 174.44 2qtb s ILE 346 N 1.90 5.18 -0.08 0.60 1.01 -1.26 -0.16 121.20 128.39 2qtb s ILE 346 Ca 0.05 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 2qtb s ILE 346 Cb -0.13 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2qtb s ILE 346 CO -0.06 0.39 0.06 -0.70 0.00 0.00 0.00 174.94 174.63 2qtb s GLU 347 N -1.65 0.05 0.27 2.79 2.12 -0.32 -5.00 118.70 116.97 2qtb s GLU 347 Ca 0.28 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.85 2qtb s GLU 347 Cb -0.14 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.28 2qtb s GLU 347 CO 0.16 -0.42 0.08 0.00 -0.54 0.00 0.00 175.26 174.54 2qtb s MET 348 N 2.13 1.46 -0.01 4.30 0.23 -1.26 -0.87 119.30 125.29 2qtb s MET 348 Ca 0.04 -1.79 0.00 0.00 -1.03 0.00 0.00 55.69 52.91 2qtb s MET 348 Cb -0.13 -0.42 0.01 0.00 -1.53 0.00 0.00 34.83 32.75 2qtb s MET 348 CO -0.05 -0.26 -0.01 0.45 -2.03 0.00 0.00 175.02 173.12 2qtb s SER 349 N -3.35 0.22 -0.01 -1.18 0.15 -0.75 -4.99 113.70 103.78 2qtb s SER 349 Ca 0.37 -0.02 0.21 0.00 0.70 0.00 0.00 55.95 57.20 2qtb s SER 349 Cb 0.08 -0.05 -0.27 0.00 -1.71 0.00 0.00 66.02 64.06 2qtb s SER 349 CO 0.14 -0.01 0.65 0.35 1.20 0.00 0.00 173.24 175.57 2qtb n THR 350 N 3.29 0.00 -0.02 6.45 -2.24 -1.26 -4.49 114.28 116.01 2qtb n THR 350 Ca -0.16 -0.26 0.08 0.00 -2.27 0.00 0.00 64.05 61.44 2qtb n THR 350 Cb 0.57 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.15 2qtb n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qtb n THR 351 N -1.87 0.11 0.00 4.28 -2.24 -1.26 -5.07 114.28 108.22 2qtb n THR 351 Ca -0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2qtb n THR 351 Cb 0.44 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2qtb n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qtb n GLY 352 N 1.47 3.08 2.75 3.38 0.00 -1.26 -4.82 105.19 109.79 2qtb n GLY 352 Ca -0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2qtb n GLY 352 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qtb n TRP 353 N 0.00 -2.62 -3.81 1.61 2.14 -1.26 -4.60 117.44 108.89 2qtb n TRP 353 Ca 0.00 -1.44 -0.35 0.00 2.07 0.00 0.00 57.50 57.78 2qtb n TRP 353 Cb 0.00 -0.41 -0.10 0.00 -0.81 0.00 0.00 31.31 29.99 2qtb n TRP 353 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2qtb s VAL 354 N -1.66 5.07 0.00 -1.67 1.01 -0.56 -4.72 120.40 117.88 2qtb s VAL 354 Ca 0.44 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2qtb s VAL 354 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2qtb s VAL 354 CO 0.28 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.40 2qtb n GLY 355 N 3.91 -1.26 0.09 4.51 0.00 -1.26 -3.44 105.19 107.75 2qtb n GLY 355 Ca -0.16 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2qtb n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qtb h ARG 356 N 0.00 -0.10 0.00 1.61 3.08 -1.94 -3.41 114.38 113.62 2qtb h ARG 356 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2qtb h ARG 356 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2qtb h ARG 356 CO 0.00 0.47 -0.44 1.19 -1.07 0.00 0.00 179.97 180.11 2qtb n PHE 357 N -4.82 0.00 -3.56 3.04 3.72 -1.26 -4.92 117.46 109.67 2qtb n PHE 357 Ca -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 2qtb n PHE 357 Cb 0.30 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 2qtb n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2qtb s ARG 358 N -1.13 0.52 0.25 -1.08 1.70 -1.25 -5.01 118.95 112.94 2qtb s ARG 358 Ca 0.00 -0.19 -0.29 0.00 -0.47 0.00 0.00 55.73 54.78 2qtb s ARG 358 Cb 0.00 0.24 -0.15 0.00 -0.57 0.00 0.00 34.95 34.47 2qtb s ARG 358 CO 0.00 -0.23 1.01 -2.30 -1.08 0.00 0.00 175.30 172.71 2qtb n PRO 359 N -0.15 1.19 -1.32 3.89 -0.02 -1.22 -4.43 135.00 132.94 2qtb n PRO 359 Ca -0.03 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2qtb n PRO 359 Cb 0.60 -1.80 0.09 0.00 -0.02 0.00 0.00 33.50 32.37 2qtb n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qtb s SER 360 N -0.43 4.54 0.24 2.55 1.04 -1.26 -4.93 113.70 115.44 2qtb s SER 360 Ca 0.63 1.87 -0.18 0.00 0.48 0.00 0.00 55.95 58.75 2qtb s SER 360 Cb -0.76 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 62.75 2qtb s SER 360 CO 0.57 -2.01 0.72 -1.83 0.98 0.00 0.00 173.24 171.67 2qtb s GLU 361 N -4.75 4.19 0.35 4.02 1.03 -1.26 -4.94 118.70 117.33 2qtb s GLU 361 Ca 0.62 0.81 -0.16 0.00 0.03 0.00 0.00 54.97 56.27 2qtb s GLU 361 Cb -0.18 -2.80 -0.09 0.00 -0.80 0.00 0.00 34.13 30.26 2qtb s GLU 361 CO 0.54 0.35 0.78 -1.25 -1.33 0.00 0.00 175.26 174.35 2qtb s PRO 362 N -2.16 4.03 -0.32 -4.83 0.04 -1.26 -4.61 135.00 125.88 2qtb s PRO 362 Ca 0.45 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.26 2qtb s PRO 362 Cb -0.15 -2.38 0.09 0.00 0.04 0.00 0.00 34.50 32.10 2qtb s PRO 362 CO 0.20 0.10 0.01 -1.01 0.04 0.00 0.00 177.00 176.34 2qtb s HIS 363 N -2.06 3.56 0.43 0.56 3.76 0.66 -4.94 115.29 117.27 2qtb s HIS 363 Ca 0.56 -2.67 -0.20 0.00 -0.15 0.00 0.00 55.06 52.60 2qtb s HIS 363 Cb -0.10 -2.59 -0.10 0.00 1.11 0.00 0.00 32.58 30.90 2qtb s HIS 363 CO 0.18 -0.92 0.93 -0.06 -0.85 0.00 0.00 174.74 174.02 2qtb s PHE 364 N 1.01 3.34 0.85 1.40 0.40 -1.26 -0.97 117.98 122.75 2qtb s PHE 364 Ca 0.03 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 57.79 2qtb s PHE 364 Cb -0.20 -2.81 0.10 0.00 0.51 0.00 0.00 43.02 40.63 2qtb s PHE 364 CO -0.06 -0.13 1.17 0.95 0.70 0.00 0.00 175.22 177.85 2qtb s THR 365 N -2.23 2.00 0.19 0.64 -4.23 -0.90 -4.90 115.64 106.20 2qtb s THR 365 Ca 0.61 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.97 2qtb s THR 365 Cb -0.09 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 71.00 2qtb s THR 365 CO 0.17 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.14 2qtb h LEU 366 N -1.22 -0.45 0.00 4.79 5.85 -1.92 -0.36 115.31 122.00 2qtb h LEU 366 Ca -0.47 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2qtb h LEU 366 Cb 1.33 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2qtb h LEU 366 CO 0.64 -0.16 0.00 -0.90 -0.34 0.00 0.00 178.44 177.67 2qtb n ASP 367 N -5.36 0.00 -0.20 1.25 5.68 -1.26 -4.90 116.55 111.76 2qtb n ASP 367 Ca 0.05 -0.32 -0.03 0.00 -0.50 0.00 0.00 54.79 54.00 2qtb n ASP 367 Cb 0.28 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 2qtb n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qtb n GLY 368 N 1.06 0.44 0.04 6.12 0.00 -0.15 -4.87 105.19 107.83 2qtb n GLY 368 Ca 0.16 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2qtb n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qtb n ASN 369 N -0.48 0.51 -3.90 1.61 3.02 -1.26 -4.89 115.26 109.87 2qtb n ASN 369 Ca -0.03 0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.63 2qtb n ASN 369 Cb 0.32 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 2qtb n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qtb s SER 370 N -3.67 -0.11 0.16 6.41 1.04 -1.26 -1.87 113.70 114.39 2qtb s SER 370 Ca 0.10 -0.75 -0.21 0.00 0.48 0.00 0.00 55.95 55.57 2qtb s SER 370 Cb 0.16 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.87 2qtb s SER 370 CO 0.65 -1.03 0.55 0.72 0.98 0.00 0.00 173.24 175.10 2qtb s PHE 371 N -3.95 -0.42 -0.03 5.02 -0.12 0.22 -2.12 117.98 116.58 2qtb s PHE 371 Ca 0.16 0.17 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 2qtb s PHE 371 Cb 0.00 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 2qtb s PHE 371 CO 0.02 -0.83 -0.04 0.71 -0.05 0.00 0.00 175.22 175.03 2qtb s TYR 372 N -3.78 2.98 -0.18 3.49 1.51 -0.14 0.09 117.35 121.32 2qtb s TYR 372 Ca 0.02 0.04 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 2qtb s TYR 372 Cb -0.00 -1.67 0.05 0.00 -0.11 0.00 0.00 41.96 40.22 2qtb s TYR 372 CO -0.11 0.40 0.48 0.21 -1.11 0.00 0.00 175.55 175.41 2qtb s LYS 373 N -1.24 0.54 -0.15 -0.62 2.20 -0.68 -0.24 119.74 119.54 2qtb s LYS 373 Ca 0.16 0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 56.19 2qtb s LYS 373 Cb -0.11 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2qtb s LYS 373 CO 0.06 -0.08 0.99 0.42 -0.36 0.00 0.00 175.35 176.38 2qtb s ILE 374 N 0.47 4.77 0.05 5.43 1.01 -1.26 -0.57 121.20 131.11 2qtb s ILE 374 Ca -0.02 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.56 2qtb s ILE 374 Cb -0.04 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2qtb s ILE 374 CO -0.02 -0.04 0.08 0.27 0.00 0.00 0.00 174.94 175.22 2qtb s ILE 375 N 2.36 0.16 0.03 2.92 -4.36 -0.03 -4.57 121.20 117.70 2qtb s ILE 375 Ca 0.46 -1.28 -0.30 0.00 -0.26 0.00 0.00 60.65 59.26 2qtb s ILE 375 Cb -0.17 -1.11 -0.06 0.00 1.25 0.00 0.00 42.46 42.36 2qtb s ILE 375 CO 0.14 -0.71 1.41 -0.55 0.24 0.00 0.00 174.94 175.47 2qtb s SER 376 N -2.44 6.84 0.80 4.36 0.15 -1.26 -1.60 113.70 120.54 2qtb s SER 376 Ca -0.00 2.18 -0.05 0.00 0.70 0.00 0.00 55.95 58.77 2qtb s SER 376 Cb 0.02 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.89 2qtb s SER 376 CO -0.07 -0.71 0.81 -0.46 1.20 0.00 0.00 173.24 174.00 2qtb n ASN 377 N 5.08 0.54 0.32 5.45 0.23 -0.30 -4.87 115.26 121.70 2qtb n ASN 377 Ca 0.13 -1.58 0.21 0.00 -0.53 0.00 0.00 54.58 52.80 2qtb n ASN 377 Cb 0.43 -0.57 1.11 0.00 -2.08 0.00 0.00 39.78 38.67 2qtb n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qtb h GLU 378 N 0.00 0.00 -0.01 -3.83 4.39 -1.95 0.23 114.58 113.42 2qtb h GLU 378 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2qtb h GLU 378 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2qtb h GLU 378 CO 0.23 0.01 -0.32 0.39 -1.16 0.00 0.00 179.01 178.16 2qtb n GLU 379 N -3.23 0.72 -0.53 2.33 -0.58 -1.26 -4.93 120.64 113.16 2qtb n GLU 379 Ca -0.03 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.27 2qtb n GLU 379 Cb 0.10 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2qtb n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qtb n GLY 380 N 1.37 0.72 3.67 0.62 0.00 0.07 -4.76 105.19 106.88 2qtb n GLY 380 Ca 0.11 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2qtb n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qtb s TYR 381 N -2.00 3.23 -0.22 1.61 1.51 -1.26 0.67 117.35 120.89 2qtb s TYR 381 Ca 0.00 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 2qtb s TYR 381 Cb 0.00 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2qtb s TYR 381 CO 0.00 0.33 1.19 1.03 -1.11 0.00 0.00 175.55 176.99 2qtb s ARG 382 N -0.31 4.18 0.20 -0.62 0.52 -1.26 -1.15 118.95 120.50 2qtb s ARG 382 Ca 0.08 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 2qtb s ARG 382 Cb -0.12 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 2qtb s ARG 382 CO 0.02 -0.77 0.07 -1.01 0.02 0.00 0.00 175.30 173.63 2qtb s HIS 383 N 3.57 1.24 -0.05 -0.53 3.76 -0.63 -1.66 115.29 120.98 2qtb s HIS 383 Ca 0.51 -1.20 -0.28 0.00 -0.15 0.00 0.00 55.06 53.94 2qtb s HIS 383 Cb -0.18 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 2qtb s HIS 383 CO 0.14 -0.41 0.93 0.42 -0.85 0.00 0.00 174.74 174.96 2qtb s ILE 384 N -3.88 4.88 0.04 0.60 1.01 -1.26 -0.85 121.20 121.74 2qtb s ILE 384 Ca 0.32 1.92 0.07 0.00 0.00 0.00 0.00 60.65 62.95 2qtb s ILE 384 Cb 0.07 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2qtb s ILE 384 CO 0.09 0.13 -0.16 0.00 0.00 0.00 0.00 174.94 175.00 2qtb s TYR 386 N -0.97 3.15 0.09 0.00 5.04 0.32 -1.69 117.35 123.29 2qtb s TYR 386 Ca 0.16 -0.18 0.08 0.00 -2.44 0.00 0.00 57.07 54.68 2qtb s TYR 386 Cb -0.11 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 2qtb s TYR 386 CO 0.06 -0.13 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.93 2qtb s PHE 387 N 1.07 2.61 -0.14 4.97 0.08 0.11 -0.57 117.98 126.11 2qtb s PHE 387 Ca 0.04 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 2qtb s PHE 387 Cb -0.14 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 2qtb s PHE 387 CO 0.03 0.36 0.07 -0.65 -0.10 0.00 0.00 175.22 174.93 2qtb s GLN 388 N -1.93 3.60 0.61 0.44 1.11 -1.26 -0.61 119.66 121.63 2qtb s GLN 388 Ca 0.18 -0.30 0.34 0.00 0.01 0.00 0.00 55.36 55.58 2qtb s GLN 388 Cb -0.11 -3.11 1.98 0.00 -1.01 0.00 0.00 33.01 30.77 2qtb s GLN 388 CO 0.10 0.51 2.28 -0.84 0.01 0.00 0.00 175.29 177.35 2qtb h ILE 389 N 4.47 0.38 -0.21 1.08 3.07 -1.72 -2.31 117.51 122.27 2qtb h ILE 389 Ca -0.45 -0.02 -0.11 0.00 1.55 0.00 0.00 64.86 65.83 2qtb h ILE 389 Cb 1.19 1.02 -0.06 0.00 -0.27 0.00 0.00 36.82 38.69 2qtb h ILE 389 CO 0.64 0.00 -0.23 -0.90 -1.05 0.00 0.00 178.15 176.62 2qtb n ASP 390 N -3.62 2.23 -4.04 2.16 5.75 -1.26 -4.21 116.55 113.56 2qtb n ASP 390 Ca -0.03 -3.78 -0.21 0.00 -0.01 0.00 0.00 54.79 50.76 2qtb n ASP 390 Cb 0.09 -0.59 -0.15 0.00 -1.03 0.00 0.00 41.12 39.43 2qtb n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2qtb s LYS 391 N -3.22 1.07 0.02 0.11 3.01 -0.87 -4.89 119.74 114.96 2qtb s LYS 391 Ca 0.42 -0.38 -0.20 0.00 -1.01 0.00 0.00 55.97 54.80 2qtb s LYS 391 Cb 0.39 -0.99 -0.19 0.00 -1.01 0.00 0.00 37.83 36.02 2qtb s LYS 391 CO -0.02 0.17 1.19 0.87 0.51 0.00 0.00 175.35 178.07 2qtb h LYS 392 N 6.23 0.41 -6.49 1.68 1.79 -1.90 -3.41 116.57 114.88 2qtb h LYS 392 Ca -0.33 -0.34 -0.53 0.00 -2.18 0.00 0.00 60.65 57.27 2qtb h LYS 392 Cb 1.17 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 2qtb h LYS 392 CO 0.49 0.98 0.38 -0.51 -1.08 0.00 0.00 179.45 179.71 2qtb s ASP 393 N -6.52 7.41 0.32 0.86 1.01 -1.26 -5.01 116.67 113.48 2qtb s ASP 393 Ca -0.14 1.76 0.08 0.00 0.71 0.00 0.00 52.55 54.96 2qtb s ASP 393 Cb 0.04 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2qtb s ASP 393 CO 0.80 -0.18 0.23 0.00 0.21 0.00 0.00 175.17 176.22 2qtb s THR 395 N -2.31 2.23 -0.04 0.00 2.01 0.26 -4.85 115.64 112.95 2qtb s THR 395 Ca 0.39 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 2qtb s THR 395 Cb -0.05 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2qtb s THR 395 CO 0.25 0.55 1.11 -0.36 -0.69 0.00 0.00 174.62 175.48 2qtb s PHE 396 N 0.38 3.40 -0.90 4.92 0.08 -1.26 0.12 117.98 124.71 2qtb s PHE 396 Ca -0.17 1.41 0.22 0.00 0.12 0.00 0.00 56.93 58.51 2qtb s PHE 396 Cb -0.17 -3.31 -0.11 0.00 -0.57 0.00 0.00 43.02 38.86 2qtb s PHE 396 CO 0.08 -0.80 0.95 0.44 -0.10 0.00 0.00 175.22 175.79 2qtb n ILE 397 N 4.36 0.01 -4.23 0.64 -5.35 0.18 -4.93 119.36 110.04 2qtb n ILE 397 Ca 0.09 -0.05 -0.15 0.00 -0.27 0.00 0.00 62.75 62.37 2qtb n ILE 397 Cb 0.48 0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 39.04 2qtb n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qtb s THR 398 N -3.05 1.14 0.12 7.28 -4.23 -1.25 -4.91 115.64 110.74 2qtb s THR 398 Ca 0.07 -1.87 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 2qtb s THR 398 Cb 0.16 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 72.43 2qtb s THR 398 CO 0.84 -0.62 0.79 -1.59 -0.54 0.00 0.00 174.62 173.50 2qtb s LYS 399 N -3.24 1.18 0.00 3.99 -2.85 -1.26 -4.56 119.74 113.00 2qtb s LYS 399 Ca 0.12 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2qtb s LYS 399 Cb -0.01 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 2qtb s LYS 399 CO 0.01 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.34 2qtb n GLY 400 N -0.36 3.00 2.56 0.59 0.00 -1.26 -4.92 105.19 104.80 2qtb n GLY 400 Ca -0.10 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2qtb n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qtb n THR 401 N -1.63 4.49 -3.83 2.61 -2.24 -1.26 -4.74 114.28 107.67 2qtb n THR 401 Ca 0.00 -3.63 -0.06 0.00 -2.27 0.00 0.00 64.05 58.10 2qtb n THR 401 Cb 0.00 -2.38 0.01 0.00 -2.10 0.00 0.00 70.33 65.86 2qtb n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2qtb s TRP 402 N 0.85 0.04 0.04 4.78 1.48 -1.26 -5.04 118.94 119.83 2qtb s TRP 402 Ca 0.54 -0.55 0.02 0.00 -1.06 0.00 0.00 56.10 55.04 2qtb s TRP 402 Cb 0.16 0.75 -0.02 0.00 -1.16 0.00 0.00 33.47 33.20 2qtb s TRP 402 CO -0.06 -1.22 -0.07 -1.21 -4.06 0.00 0.00 176.95 170.33 2qtb s GLU 403 N -2.54 0.48 0.02 3.25 2.02 -1.26 -4.53 118.70 116.13 2qtb s GLU 403 Ca 0.17 -0.72 -0.28 0.00 0.02 0.00 0.00 54.97 54.16 2qtb s GLU 403 Cb -0.04 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.95 2qtb s GLU 403 CO 0.08 0.03 0.89 0.08 0.02 0.00 0.00 175.26 176.36 2qtb s VAL 404 N -1.39 4.79 -0.11 2.63 1.01 -0.67 -2.49 120.40 124.18 2qtb s VAL 404 Ca -0.11 1.89 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 2qtb s VAL 404 Cb -0.10 -4.24 -0.27 0.00 0.00 0.00 0.00 36.38 31.77 2qtb s VAL 404 CO 0.00 0.25 0.59 0.40 0.00 0.00 0.00 175.10 176.34 2qtb h ILE 405 N 4.51 1.15 -2.09 2.22 1.08 -0.47 -3.45 117.51 120.45 2qtb h ILE 405 Ca -0.42 -2.40 0.08 0.00 -0.39 0.00 0.00 64.86 61.73 2qtb h ILE 405 Cb 1.21 2.79 -0.18 0.00 -3.07 0.00 0.00 36.82 37.58 2qtb h ILE 405 CO 0.74 0.66 0.46 -0.83 -0.69 0.00 0.00 178.15 178.49 2qtb s GLY 406 N -4.82 -0.43 -0.13 5.37 0.00 -1.18 -5.02 107.32 101.11 2qtb s GLY 406 Ca -0.20 1.30 -0.19 0.00 0.00 0.00 0.00 44.72 45.64 2qtb s GLY 406 CO 0.75 0.59 0.52 -0.42 0.00 0.00 0.00 173.10 174.54 2qtb s ILE 407 N -2.39 5.15 -0.19 0.90 1.01 -1.26 -1.95 121.20 122.48 2qtb s ILE 407 Ca 0.01 1.02 0.09 0.00 0.00 0.00 0.00 60.65 61.78 2qtb s ILE 407 Cb -0.01 -3.85 -0.18 0.00 0.01 0.00 0.00 42.46 38.43 2qtb s ILE 407 CO -0.04 0.28 -0.04 -0.62 0.00 0.00 0.00 174.94 174.51 2qtb n GLU 408 N 3.97 0.96 -3.49 2.79 -0.58 0.50 -4.98 120.64 119.81 2qtb n GLU 408 Ca -0.06 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 2qtb n GLU 408 Cb 0.51 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 2qtb n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qtb s ALA 409 N -2.42 -1.58 -0.03 0.62 0.00 -1.13 -4.86 121.76 112.36 2qtb s ALA 409 Ca -0.17 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 2qtb s ALA 409 Cb 0.06 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.70 2qtb s ALA 409 CO 0.61 -0.58 0.06 -1.17 0.00 0.00 0.00 175.76 174.68 2qtb s LEU 410 N -2.08 0.79 0.38 0.00 2.96 -1.26 -0.55 118.68 118.92 2qtb s LEU 410 Ca -0.04 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2qtb s LEU 410 Cb -0.01 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.62 2qtb s LEU 410 CO -0.03 -0.16 0.06 0.42 -1.32 0.00 0.00 176.35 175.31 2qtb s THR 411 N 1.36 1.23 0.40 3.68 -4.23 -0.02 -4.98 115.64 113.08 2qtb s THR 411 Ca -0.06 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.74 2qtb s THR 411 Cb -0.13 -2.67 0.31 0.00 1.34 0.00 0.00 72.50 71.36 2qtb s THR 411 CO -0.03 0.00 2.09 0.77 -0.54 0.00 0.00 174.62 176.90 2qtb h SER 412 N 1.89 0.00 0.05 3.99 4.64 -2.01 -3.22 113.55 118.89 2qtb h SER 412 Ca -0.41 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.55 2qtb h SER 412 Cb 1.26 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2qtb h SER 412 CO 0.70 0.10 -2.34 0.47 -0.87 0.00 0.00 176.83 174.89 2qtb n ASP 413 N -3.56 0.56 -4.12 4.97 8.00 -1.26 -4.81 116.55 116.34 2qtb n ASP 413 Ca -0.02 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 2qtb n ASP 413 Cb 0.23 0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 41.78 2qtb n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qtb s TYR 414 N -2.51 0.77 -0.13 1.24 1.51 -1.22 -0.88 117.35 116.14 2qtb s TYR 414 Ca -0.15 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.16 2qtb s TYR 414 Cb 0.07 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 2qtb s TYR 414 CO 0.78 -0.14 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.71 2qtb s LEU 415 N -2.48 1.96 -0.13 -1.29 0.20 -0.91 -0.84 118.68 115.18 2qtb s LEU 415 Ca 0.03 -0.53 -0.07 0.00 0.69 0.00 0.00 54.13 54.25 2qtb s LEU 415 Cb -0.00 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.41 2qtb s LEU 415 CO -0.03 0.06 0.12 -0.31 -0.29 0.00 0.00 176.35 175.90 2qtb s TYR 416 N 0.85 3.52 0.17 5.38 1.51 0.29 -1.32 117.35 127.75 2qtb s TYR 416 Ca -0.08 0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 56.29 2qtb s TYR 416 Cb -0.15 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2qtb s TYR 416 CO -0.01 0.63 0.44 1.52 -1.11 0.00 0.00 175.55 177.02 2qtb s TYR 417 N -0.76 -0.02 -0.10 2.71 -0.85 0.39 -0.37 117.35 118.35 2qtb s TYR 417 Ca 0.13 -0.33 -0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2qtb s TYR 417 Cb -0.12 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.46 2qtb s TYR 417 CO 0.03 -0.83 -0.08 0.42 -1.52 0.00 0.00 175.55 173.57 2qtb s ILE 418 N -3.88 3.58 0.21 -3.49 1.01 -0.82 -0.07 121.20 117.73 2qtb s ILE 418 Ca 0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2qtb s ILE 418 Cb 0.01 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2qtb s ILE 418 CO -0.04 0.56 0.28 -0.94 0.00 0.00 0.00 174.94 174.80 2qtb s SER 419 N -0.36 0.05 -0.40 3.58 1.04 -0.62 0.32 113.70 117.32 2qtb s SER 419 Ca 0.05 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.41 2qtb s SER 419 Cb -0.12 0.46 0.56 0.00 0.10 0.00 0.00 66.02 67.01 2qtb s SER 419 CO 0.02 -0.95 1.68 -0.46 0.98 0.00 0.00 173.24 174.51 2qtb n ASN 420 N -0.29 3.76 -0.16 7.02 0.23 -1.04 -1.42 115.26 123.36 2qtb n ASN 420 Ca -0.01 -3.73 -0.11 0.00 -0.53 0.00 0.00 54.58 50.20 2qtb n ASN 420 Cb 0.64 -0.73 -0.01 0.00 -2.08 0.00 0.00 39.78 37.60 2qtb n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qtb h GLU 421 N 1.21 0.88 -6.23 -3.83 4.81 -1.84 -3.33 114.58 106.26 2qtb h GLU 421 Ca 0.43 -0.33 -0.70 0.00 -0.13 0.00 0.00 59.36 58.63 2qtb h GLU 421 Cb 1.98 -0.05 0.04 0.00 0.63 0.00 0.00 28.75 31.35 2qtb h GLU 421 CO 0.83 0.98 0.66 0.98 -0.73 0.00 0.00 179.01 181.73 2qtb n TYR 422 N -4.26 1.77 -1.41 0.92 9.36 -1.26 -1.03 117.16 121.26 2qtb n TYR 422 Ca -0.00 0.57 -0.14 0.00 3.32 0.00 0.00 57.90 61.65 2qtb n TYR 422 Cb 0.38 -2.40 -0.06 0.00 -0.63 0.00 0.00 39.34 36.63 2qtb n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2qtb n LYS 423 N 3.82 -1.33 -2.28 2.98 5.02 -1.26 -1.85 118.16 123.26 2qtb n LYS 423 Ca 0.22 0.85 -0.18 0.00 -2.02 0.00 0.00 58.31 57.18 2qtb n LYS 423 Cb 0.17 -5.11 -0.02 0.00 -0.02 0.00 0.00 35.03 30.05 2qtb n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qtb n GLY 424 N -0.26 -0.15 3.42 0.72 0.00 -0.20 -4.94 105.19 103.79 2qtb n GLY 424 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2qtb n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qtb s MET 425 N -4.81 3.06 0.64 1.61 -1.94 -0.77 -4.92 119.30 112.16 2qtb s MET 425 Ca 0.00 -1.11 0.40 0.00 -1.71 0.00 0.00 55.69 53.27 2qtb s MET 425 Cb 0.00 -4.12 2.24 0.00 2.01 0.00 0.00 34.83 34.96 2qtb s MET 425 CO 0.00 -1.15 2.33 -1.00 -0.01 0.00 0.00 175.02 175.19 2qtb h PRO 426 N 8.90 0.00 -0.55 2.03 0.13 -1.90 -1.39 132.00 139.21 2qtb h PRO 426 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2qtb h PRO 426 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qtb h PRO 426 CO 0.93 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 2qtb n GLY 427 N -1.12 1.58 3.70 1.56 0.00 -1.26 -4.87 105.19 104.78 2qtb n GLY 427 Ca -0.03 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 2qtb n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qtb s GLY 428 N -0.99 1.67 -0.02 -0.02 0.00 -0.53 -2.23 107.32 105.20 2qtb s GLY 428 Ca 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2qtb s GLY 428 CO 0.24 -1.44 0.02 0.50 0.00 0.00 0.00 173.10 172.43 2qtb s ARG 429 N -3.23 0.01 0.07 2.90 1.81 0.16 -4.07 118.95 116.60 2qtb s ARG 429 Ca 0.29 0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 2qtb s ARG 429 Cb -0.09 -0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.10 2qtb s ARG 429 CO 0.20 -0.16 -0.05 -0.80 -0.68 0.00 0.00 175.30 173.82 2qtb s ASN 430 N 1.03 0.75 -0.16 0.23 0.01 -0.51 -0.72 114.94 115.58 2qtb s ASN 430 Ca -0.09 -0.96 -0.14 0.00 -0.71 0.00 0.00 52.86 50.96 2qtb s ASN 430 Cb -0.13 0.15 -0.05 0.00 0.41 0.00 0.00 41.25 41.64 2qtb s ASN 430 CO -0.03 -0.52 0.29 -0.22 -1.51 0.00 0.00 177.10 175.11 2qtb s LEU 431 N -2.86 4.25 0.16 0.60 2.96 -1.26 -1.59 118.68 120.94 2qtb s LEU 431 Ca 0.07 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.55 2qtb s LEU 431 Cb 0.05 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2qtb s LEU 431 CO -0.07 0.11 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.63 2qtb s TYR 432 N 0.41 1.45 0.02 5.38 1.51 0.90 0.12 117.35 127.13 2qtb s TYR 432 Ca 0.16 -0.65 0.04 0.00 -1.01 0.00 0.00 57.07 55.61 2qtb s TYR 432 Cb -0.13 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.99 2qtb s TYR 432 CO 0.04 0.19 -0.12 -1.59 -1.11 0.00 0.00 175.55 172.96 2qtb s LYS 433 N -3.50 0.85 -0.06 -0.62 -2.85 -0.76 -0.47 119.74 112.33 2qtb s LYS 433 Ca 0.17 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 54.61 2qtb s LYS 433 Cb -0.00 -0.82 0.00 0.00 -2.06 0.00 0.00 37.83 34.96 2qtb s LYS 433 CO 0.03 0.21 -0.16 -1.50 0.10 0.00 0.00 175.35 174.03 2qtb s ILE 434 N -0.59 1.41 -0.17 3.79 2.07 -0.44 -1.54 121.20 125.73 2qtb s ILE 434 Ca 0.02 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.30 2qtb s ILE 434 Cb -0.06 -1.24 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 2qtb s ILE 434 CO 0.00 0.41 1.61 -1.58 -1.91 0.00 0.00 174.94 173.48 2qtb s GLN 435 N 0.38 3.92 0.50 3.50 0.74 -0.92 -2.15 119.66 125.63 2qtb s GLN 435 Ca -0.12 1.81 0.18 0.00 0.05 0.00 0.00 55.36 57.28 2qtb s GLN 435 Cb -0.15 -4.01 1.24 0.00 1.10 0.00 0.00 33.01 31.20 2qtb s GLN 435 CO 0.04 -1.15 2.10 -0.07 -0.55 0.00 0.00 175.29 175.66 2qtb h LEU 436 N 11.23 0.00 0.00 3.68 3.38 -1.32 -2.11 115.31 130.17 2qtb h LEU 436 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2qtb h LEU 436 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2qtb h LEU 436 CO 0.99 0.08 -0.07 -1.54 0.09 0.00 0.00 178.44 177.98 2qtb n SER 437 N -4.32 0.45 -3.24 -0.43 3.41 -1.26 -4.60 113.62 103.64 2qtb n SER 437 Ca -0.03 0.47 -0.03 0.00 -0.26 0.00 0.00 58.87 59.02 2qtb n SER 437 Cb 0.16 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 2qtb n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qtb s ASP 438 N -3.79 -0.80 0.14 4.04 -1.08 -0.80 -5.02 116.67 109.37 2qtb s ASP 438 Ca 0.12 -0.61 0.09 0.00 -0.52 0.00 0.00 52.55 51.64 2qtb s ASP 438 Cb 0.15 1.61 0.51 0.00 -1.46 0.00 0.00 42.92 43.74 2qtb s ASP 438 CO 0.58 -0.25 1.29 -1.22 0.52 0.00 0.00 175.17 176.09 2qtb n TYR 439 N 4.80 0.32 0.87 -5.34 4.01 -1.21 -0.83 117.16 119.78 2qtb n TYR 439 Ca 0.08 0.17 0.13 0.00 -0.16 0.00 0.00 57.90 58.12 2qtb n TYR 439 Cb 0.53 -0.76 0.55 0.00 -0.31 0.00 0.00 39.34 39.34 2qtb n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qtb n THR 440 N -1.83 0.22 -3.19 -0.72 -2.24 -1.26 -4.47 114.28 100.79 2qtb n THR 440 Ca -0.01 -0.06 -0.46 0.00 -2.27 0.00 0.00 64.05 61.26 2qtb n THR 440 Cb 0.02 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 2qtb n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qtb s LYS 441 N -3.03 3.72 -0.16 -0.78 -0.14 -0.01 -5.01 119.74 114.33 2qtb s LYS 441 Ca 0.13 -2.38 -0.02 0.00 -1.36 0.00 0.00 55.97 52.34 2qtb s LYS 441 Cb 0.17 -4.63 -0.01 0.00 -1.68 0.00 0.00 37.83 31.67 2qtb s LYS 441 CO 0.53 -1.46 -0.09 0.08 -0.76 0.00 0.00 175.35 173.66 2qtb s VAL 442 N 0.79 3.28 -0.16 3.17 1.01 -1.26 -2.16 120.40 125.07 2qtb s VAL 442 Ca 0.26 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2qtb s VAL 442 Cb -0.08 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2qtb s VAL 442 CO -0.08 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.44 2qtb s THR 443 N 0.68 2.45 -0.02 3.92 2.01 -0.59 -4.98 115.64 119.11 2qtb s THR 443 Ca -0.05 -0.84 -0.28 0.00 0.31 0.00 0.00 61.69 60.83 2qtb s THR 443 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2qtb s THR 443 CO 0.02 0.52 0.89 0.00 -0.69 0.00 0.00 174.62 175.37 2qtb n LEU 445 N 3.84 0.54 0.00 0.00 4.77 0.12 -4.58 117.00 121.69 2qtb n LEU 445 Ca 0.04 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2qtb n LEU 445 Cb 0.51 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2qtb n LEU 445 CO 0.50 0.10 -0.21 -1.54 -1.33 0.00 0.00 177.39 174.91 2qtb n SER 446 N -1.90 2.15 -0.18 -1.43 3.41 -1.19 -4.80 113.62 109.68 2qtb n SER 446 Ca 0.01 -0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 58.41 2qtb n SER 446 Cb 0.44 0.83 0.08 0.00 -0.26 0.00 0.00 64.21 65.30 2qtb n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qtb n GLU 448 N -5.28 2.43 -0.34 0.00 4.71 -1.26 -4.10 120.64 116.80 2qtb n GLU 448 Ca 0.07 -2.17 -0.02 0.00 -0.01 0.00 0.00 57.16 55.03 2qtb n GLU 448 Cb 0.31 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.35 2qtb n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2qtb h LEU 449 N 4.05 1.03 -5.00 -4.62 3.38 -1.80 -3.39 115.31 108.96 2qtb h LEU 449 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2qtb h LEU 449 Cb 0.90 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 2qtb h LEU 449 CO 0.00 0.73 -0.19 -3.20 0.09 0.00 0.00 178.44 175.87 2qtb n ASN 450 N -4.47 -1.85 -0.12 -0.43 2.85 -1.26 -5.06 115.26 104.93 2qtb n ASN 450 Ca 0.11 -1.81 0.20 0.00 -0.11 0.00 0.00 54.58 52.97 2qtb n ASN 450 Cb 0.05 1.00 0.61 0.00 1.24 0.00 0.00 39.78 42.68 2qtb n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qtb h PRO 451 N 3.90 0.18 -0.14 1.20 0.13 -1.75 0.61 132.00 136.13 2qtb h PRO 451 Ca -0.10 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.82 2qtb h PRO 451 Cb 1.16 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2qtb h PRO 451 CO -0.07 0.12 -0.70 0.93 -0.23 0.00 0.00 178.00 178.05 2qtb h GLU 452 N 0.19 0.73 0.00 0.86 5.08 -1.97 -3.35 114.58 116.12 2qtb h GLU 452 Ca 0.35 -0.59 -0.28 0.00 -1.00 0.00 0.00 59.36 57.83 2qtb h GLU 452 Cb 1.11 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2qtb h GLU 452 CO -0.06 1.20 -1.73 -2.13 -1.00 0.00 0.00 179.01 175.29 2qtb n ARG 453 N -4.02 0.63 -3.95 2.33 0.63 -0.94 -4.51 116.66 106.83 2qtb n ARG 453 Ca -0.08 0.26 -0.30 0.00 -0.92 0.00 0.00 57.85 56.81 2qtb n ARG 453 Cb 0.71 -1.77 -0.16 0.00 0.45 0.00 0.00 32.46 31.69 2qtb n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qtb n GLN 455 N 4.68 0.13 -3.59 0.00 6.02 0.20 -4.31 117.38 120.52 2qtb n GLN 455 Ca -0.13 -0.44 -0.28 0.00 -0.01 0.00 0.00 57.00 56.15 2qtb n GLN 455 Cb 0.45 -0.70 -0.16 0.00 1.02 0.00 0.00 30.24 30.84 2qtb n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qtb s TYR 456 N -0.14 0.34 0.22 1.08 6.14 -1.05 -0.66 117.35 123.28 2qtb s TYR 456 Ca 0.00 -0.66 0.10 0.00 0.64 0.00 0.00 57.07 57.15 2qtb s TYR 456 Cb 0.00 -0.84 -0.04 0.00 0.42 0.00 0.00 41.96 41.50 2qtb s TYR 456 CO 0.00 -0.68 -0.09 0.71 0.64 0.00 0.00 175.55 176.13 2qtb s TYR 457 N 2.09 2.59 0.11 4.97 2.02 0.11 -0.91 117.35 128.33 2qtb s TYR 457 Ca 0.06 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 2qtb s TYR 457 Cb -0.16 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2qtb s TYR 457 CO -0.23 0.57 -0.08 0.45 -1.57 0.00 0.00 175.55 174.69 2qtb s SER 458 N -3.15 1.33 0.03 2.29 0.15 -0.52 -4.62 113.70 109.22 2qtb s SER 458 Ca 0.27 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 55.88 2qtb s SER 458 Cb -0.08 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 2qtb s SER 458 CO 0.16 -0.41 0.08 0.54 1.20 0.00 0.00 173.24 174.81 2qtb s VAL 459 N -3.44 0.13 -0.19 4.45 0.11 -1.26 -0.94 120.40 119.27 2qtb s VAL 459 Ca 0.12 -1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2qtb s VAL 459 Cb 0.04 -0.84 0.06 0.00 -1.53 0.00 0.00 36.38 34.11 2qtb s VAL 459 CO -0.03 -0.60 0.05 -0.55 -3.33 0.00 0.00 175.10 170.64 2qtb s SER 460 N -2.05 2.76 0.19 3.54 0.15 -0.20 -4.96 113.70 113.12 2qtb s SER 460 Ca -0.06 -0.76 -0.11 0.00 0.70 0.00 0.00 55.95 55.72 2qtb s SER 460 Cb -0.02 -0.52 -0.07 0.00 -1.71 0.00 0.00 66.02 63.70 2qtb s SER 460 CO -0.04 -0.31 0.54 -0.36 1.20 0.00 0.00 173.24 174.26 2qtb s PHE 461 N 1.92 3.50 1.03 3.44 0.40 -1.26 -0.36 117.98 126.65 2qtb s PHE 461 Ca -0.00 0.93 -0.14 0.00 -0.60 0.00 0.00 56.93 57.11 2qtb s PHE 461 Cb -0.17 -2.29 0.21 0.00 0.51 0.00 0.00 43.02 41.28 2qtb s PHE 461 CO -0.08 0.34 1.11 -1.54 0.70 0.00 0.00 175.22 175.76 2qtb s SER 462 N -2.10 2.36 0.28 1.36 1.04 0.75 -4.84 113.70 112.55 2qtb s SER 462 Ca 0.43 0.97 -0.06 0.00 0.48 0.00 0.00 55.95 57.77 2qtb s SER 462 Cb -0.13 -1.50 0.51 0.00 0.10 0.00 0.00 66.02 65.01 2qtb s SER 462 CO 0.20 -3.27 1.53 0.29 0.98 0.00 0.00 173.24 172.97 2qtb n LYS 463 N -4.24 -0.09 -0.60 4.02 4.76 -0.93 -0.88 118.16 120.21 2qtb n LYS 463 Ca 0.07 1.51 0.03 0.00 -2.87 0.00 0.00 58.31 57.05 2qtb n LYS 463 Cb 0.58 -2.29 0.23 0.00 -1.84 0.00 0.00 35.03 31.72 2qtb n LYS 463 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qtb n GLU 464 N -5.57 2.48 -1.76 1.97 -0.58 -1.26 -4.94 120.64 110.98 2qtb n GLU 464 Ca 0.17 -2.97 -0.19 0.00 -0.42 0.00 0.00 57.16 53.75 2qtb n GLU 464 Cb 0.55 -1.84 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 2qtb n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qtb n ALA 465 N -0.77 -0.36 0.05 0.62 0.00 -0.06 -4.86 120.51 115.13 2qtb n ALA 465 Ca 0.27 0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.94 2qtb n ALA 465 Cb 0.97 -1.97 0.18 0.00 0.00 0.00 0.00 19.45 18.64 2qtb n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qtb h LYS 466 N 0.00 0.36 -4.93 0.00 3.64 -1.81 -3.41 116.57 110.42 2qtb h LYS 466 Ca -0.41 -0.17 -0.30 0.00 -1.27 0.00 0.00 60.65 58.49 2qtb h LYS 466 Cb 1.27 -0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 2qtb h LYS 466 CO 0.57 0.71 -0.72 0.71 -2.27 0.00 0.00 179.45 178.44 2qtb s TYR 467 N -4.20 1.09 -0.05 1.91 2.02 -1.26 -0.58 117.35 116.28 2qtb s TYR 467 Ca -0.06 -0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 55.82 2qtb s TYR 467 Cb 0.13 -0.59 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2qtb s TYR 467 CO 0.79 -0.00 0.21 1.52 -1.57 0.00 0.00 175.55 176.49 2qtb s TYR 468 N -2.94 -0.15 -0.20 2.71 1.13 -0.46 -0.18 117.35 117.27 2qtb s TYR 468 Ca 0.10 0.32 -0.08 0.00 -1.41 0.00 0.00 57.07 56.00 2qtb s TYR 468 Cb 0.00 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.87 2qtb s TYR 468 CO -0.01 -0.21 0.08 -1.14 -2.51 0.00 0.00 175.55 171.77 2qtb s GLN 469 N -0.54 3.96 -0.17 -3.49 0.74 0.51 -0.65 119.66 120.02 2qtb s GLN 469 Ca -0.06 -0.34 -0.09 0.00 0.05 0.00 0.00 55.36 54.91 2qtb s GLN 469 Cb -0.04 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.73 2qtb s GLN 469 CO 0.01 0.18 0.14 -0.51 -0.55 0.00 0.00 175.29 174.56 2qtb s LEU 470 N 0.65 4.27 -0.32 3.68 1.43 0.09 -1.03 118.68 127.46 2qtb s LEU 470 Ca 0.04 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2qtb s LEU 470 Cb -0.13 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.09 2qtb s LEU 470 CO 0.01 0.26 0.02 -0.60 0.23 0.00 0.00 176.35 176.28 2qtb s ARG 471 N -0.12 1.53 -0.10 1.70 3.52 -0.11 -1.46 118.95 123.90 2qtb s ARG 471 Ca 0.11 -1.67 -0.24 0.00 -0.13 0.00 0.00 55.73 53.80 2qtb s ARG 471 Cb -0.11 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 2qtb s ARG 471 CO 0.00 -0.87 0.73 0.00 -0.81 0.00 0.00 175.30 174.35 2qtb n SER 473 N 4.25 2.38 0.00 0.00 3.41 -0.09 -1.40 113.62 122.16 2qtb n SER 473 Ca 0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 2qtb n SER 473 Cb 0.51 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2qtb n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qtb n GLY 474 N -0.47 1.57 0.26 5.00 0.00 -1.26 -0.79 105.19 109.51 2qtb n GLY 474 Ca 0.07 -1.01 0.16 0.00 0.00 0.00 0.00 46.02 45.24 2qtb n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qtb h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.82 0.58 132.00 133.50 2qtb h PRO 475 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2qtb h PRO 475 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2qtb h PRO 475 CO 0.00 0.00 0.07 0.41 -0.23 0.00 0.00 178.00 178.25 2qtb n GLY 476 N 0.30 -0.62 3.77 1.56 0.00 -0.30 -4.43 105.19 105.47 2qtb n GLY 476 Ca 0.01 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 2qtb n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtb s LEU 477 N 0.00 4.23 0.22 0.99 1.43 -1.26 -4.60 118.68 119.70 2qtb s LEU 477 Ca 0.16 2.77 -0.30 0.00 -1.03 0.00 0.00 54.13 55.73 2qtb s LEU 477 Cb -0.01 -3.85 -0.15 0.00 0.03 0.00 0.00 46.19 42.21 2qtb s LEU 477 CO 0.11 -0.88 0.92 -2.65 0.23 0.00 0.00 176.35 174.08 2qtb n PRO 478 N 0.19 0.89 -3.94 1.29 -0.02 -1.26 -4.79 135.00 127.36 2qtb n PRO 478 Ca 0.03 0.31 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 2qtb n PRO 478 Cb 0.42 -1.62 -0.17 0.00 -0.02 0.00 0.00 33.50 32.11 2qtb n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qtb s LEU 479 N 1.16 0.96 -0.18 2.45 2.96 -0.50 -4.20 118.68 121.33 2qtb s LEU 479 Ca 0.65 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2qtb s LEU 479 Cb -0.83 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 2qtb s LEU 479 CO 0.57 -0.13 -0.08 -0.31 -1.32 0.00 0.00 176.35 175.08 2qtb s TYR 480 N 1.56 2.91 0.15 5.38 1.51 -0.09 -0.96 117.35 127.81 2qtb s TYR 480 Ca -0.01 -0.76 0.05 0.00 -1.01 0.00 0.00 57.07 55.34 2qtb s TYR 480 Cb -0.13 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 2qtb s TYR 480 CO -0.04 -0.36 -0.11 0.95 -1.11 0.00 0.00 175.55 174.88 2qtb s THR 481 N 0.92 1.28 -0.02 -0.71 -4.23 -0.54 -0.34 115.64 112.01 2qtb s THR 481 Ca -0.01 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 58.51 2qtb s THR 481 Cb -0.15 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2qtb s THR 481 CO 0.00 -0.69 -0.22 -0.22 -0.54 0.00 0.00 174.62 172.96 2qtb s LEU 482 N -3.13 2.33 0.07 4.79 2.96 -0.53 -0.73 118.68 124.43 2qtb s LEU 482 Ca 0.17 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2qtb s LEU 482 Cb 0.01 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 2qtb s LEU 482 CO 0.02 0.32 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.32 2qtb s HIS 483 N -0.69 0.65 -0.07 5.38 3.76 0.18 -1.34 115.29 123.16 2qtb s HIS 483 Ca 0.11 -1.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.03 2qtb s HIS 483 Cb -0.10 -0.43 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 2qtb s HIS 483 CO 0.00 -0.30 -0.11 -1.54 -0.85 0.00 0.00 174.74 171.94 2qtb s SER 484 N -2.95 4.27 0.12 1.40 1.04 -0.82 -1.35 113.70 115.40 2qtb s SER 484 Ca 0.08 -0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.23 2qtb s SER 484 Cb 0.07 -1.12 -0.08 0.00 0.10 0.00 0.00 66.02 64.98 2qtb s SER 484 CO -0.08 0.31 1.41 0.28 0.98 0.00 0.00 173.24 176.15 2qtb h SER 485 N 5.60 0.92 -0.87 7.02 0.02 -1.08 -0.48 113.55 124.68 2qtb h SER 485 Ca -0.43 -0.51 0.23 0.00 -0.84 0.00 0.00 61.79 60.23 2qtb h SER 485 Cb 1.17 -0.26 -0.14 0.00 0.14 0.00 0.00 62.40 63.31 2qtb h SER 485 CO 0.52 1.25 0.23 1.62 -1.14 0.00 0.00 176.83 179.31 2qtb h VAL 486 N 0.61 0.33 0.00 2.27 3.04 -1.90 -2.69 116.25 117.91 2qtb h VAL 486 Ca 0.03 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2qtb h VAL 486 Cb 1.05 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2qtb h VAL 486 CO 0.10 0.04 -0.22 0.59 -1.01 0.00 0.00 177.57 177.08 2qtb n ASN 487 N -5.22 1.03 -3.92 3.17 3.02 -1.25 -5.01 115.26 107.08 2qtb n ASN 487 Ca 0.21 -2.27 -0.26 0.00 -0.03 0.00 0.00 54.58 52.23 2qtb n ASN 487 Cb 0.66 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2qtb n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qtb n ASP 488 N -0.56 -1.19 -4.81 6.41 9.92 -0.22 -4.94 116.55 121.16 2qtb n ASP 488 Ca 0.06 -0.94 -0.35 0.00 -0.53 0.00 0.00 54.79 53.02 2qtb n ASP 488 Cb 0.61 -3.33 -0.07 0.00 -0.64 0.00 0.00 41.12 37.70 2qtb n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2qtb s LYS 489 N -6.46 4.36 -0.69 -1.24 1.02 -0.99 -4.84 119.74 110.90 2qtb s LYS 489 Ca 0.13 1.14 -0.19 0.00 0.02 0.00 0.00 55.97 57.07 2qtb s LYS 489 Cb -0.07 -2.53 0.11 0.00 -0.52 0.00 0.00 37.83 34.82 2qtb s LYS 489 CO 0.87 0.16 0.83 0.20 -0.92 0.00 0.00 175.35 176.49 2qtb s GLY 490 N -1.90 1.82 0.02 -3.33 0.00 -1.26 -1.95 107.32 100.71 2qtb s GLY 490 Ca 0.54 -2.36 -0.27 0.00 0.00 0.00 0.00 44.72 42.63 2qtb s GLY 490 CO 0.19 1.71 1.20 1.41 0.00 0.00 0.00 173.10 177.60 2qtb h LEU 491 N 10.08 -0.74 -7.41 0.66 3.38 -1.56 -3.49 115.31 116.23 2qtb h LEU 491 Ca -0.18 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qtb h LEU 491 Cb 1.07 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 2qtb h LEU 491 CO 1.08 -0.38 0.35 0.00 0.09 0.00 0.00 178.44 179.59 2qtb s ARG 492 N -4.86 1.28 -0.23 1.13 1.70 -1.19 -5.02 118.95 111.76 2qtb s ARG 492 Ca -0.15 -0.61 -0.18 0.00 -0.47 0.00 0.00 55.73 54.32 2qtb s ARG 492 Cb 0.02 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 2qtb s ARG 492 CO 0.47 -0.58 0.52 0.08 -1.08 0.00 0.00 175.30 174.71 2qtb s VAL 493 N -3.53 5.08 -0.03 4.99 1.01 -1.26 -1.46 120.40 125.21 2qtb s VAL 493 Ca 0.07 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 2qtb s VAL 493 Cb -0.02 -3.84 -0.29 0.00 0.00 0.00 0.00 36.38 32.23 2qtb s VAL 493 CO -0.03 0.13 0.75 -0.07 0.00 0.00 0.00 175.10 175.88 2qtb h LEU 494 N 8.39 0.52 -6.89 3.92 3.38 -1.02 -3.47 115.31 120.14 2qtb h LEU 494 Ca -0.31 -0.75 0.09 0.00 0.09 0.00 0.00 57.88 57.00 2qtb h LEU 494 Cb 1.15 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.51 2qtb h LEU 494 CO 0.73 1.63 0.03 -0.70 0.09 0.00 0.00 178.44 180.22 2qtb s GLU 495 N -2.60 0.52 0.00 1.13 2.56 -1.05 -5.00 118.70 114.26 2qtb s GLU 495 Ca -0.13 1.17 0.07 0.00 0.00 0.00 0.00 54.97 56.08 2qtb s GLU 495 Cb 0.06 0.55 0.12 0.00 2.00 0.00 0.00 34.13 36.86 2qtb s GLU 495 CO 0.86 -0.16 0.91 -0.40 -0.56 0.00 0.00 175.26 175.91 2qtb n ASP 496 N 4.94 2.02 -2.41 -1.70 5.68 -1.26 -0.92 116.55 122.90 2qtb n ASP 496 Ca -0.14 -1.59 -0.16 0.00 -0.50 0.00 0.00 54.79 52.40 2qtb n ASP 496 Cb 0.53 -0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 2qtb n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qtb n ASN 497 N 0.31 -4.78 0.24 -1.12 3.02 -1.26 -4.84 115.26 106.83 2qtb n ASN 497 Ca 0.06 0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.78 2qtb n ASN 497 Cb 0.26 -4.02 0.58 0.00 -0.61 0.00 0.00 39.78 35.99 2qtb n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qtb h SER 498 N 0.00 0.00 -0.09 6.41 4.64 -1.94 -1.54 113.55 121.04 2qtb h SER 498 Ca -0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2qtb h SER 498 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qtb h SER 498 CO 0.45 0.11 0.05 0.00 -0.87 0.00 0.00 176.83 176.57 2qtb h ALA 499 N 1.89 0.11 -0.62 5.18 0.00 -2.00 -1.23 119.26 122.60 2qtb h ALA 499 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qtb h ALA 499 Cb 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2qtb h ALA 499 CO 0.01 -0.37 0.09 1.25 0.00 0.00 0.00 179.25 180.23 2qtb h LEU 500 N 0.08 0.96 -0.70 0.00 5.85 -1.75 -1.90 115.31 117.85 2qtb h LEU 500 Ca 0.03 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2qtb h LEU 500 Cb 0.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2qtb h LEU 500 CO -0.01 0.96 0.44 -0.78 -0.34 0.00 0.00 178.44 178.72 2qtb h ASP 501 N 0.95 0.73 -0.33 1.25 3.58 -1.08 0.14 116.42 121.66 2qtb h ASP 501 Ca 0.19 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2qtb h ASP 501 Cb 0.42 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2qtb h ASP 501 CO 0.01 0.51 0.18 0.50 -2.88 0.00 0.00 179.24 177.56 2qtb h LYS 502 N 0.87 0.46 -0.42 0.28 3.64 -0.76 -2.80 116.57 117.85 2qtb h LYS 502 Ca 0.28 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2qtb h LYS 502 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2qtb h LYS 502 CO -0.10 0.39 0.13 0.52 -2.27 0.00 0.00 179.45 178.12 2qtb h MET 503 N 0.41 0.65 0.00 1.90 2.86 -0.82 -2.87 114.93 117.06 2qtb h MET 503 Ca 0.12 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2qtb h MET 503 Cb 0.06 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2qtb h MET 503 CO -0.02 0.64 0.00 1.28 1.06 0.00 0.00 176.91 179.87 2qtb n LEU 504 N -4.58 0.45 0.23 1.22 4.77 0.45 -2.22 117.00 117.31 2qtb n LEU 504 Ca -0.00 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 2qtb n LEU 504 Cb 0.18 -0.65 0.53 0.00 -2.33 0.00 0.00 43.42 41.16 2qtb n LEU 504 CO 0.38 -0.66 0.86 1.56 -1.33 0.00 0.00 177.39 178.20 2qtb h GLN 505 N 0.00 0.00 -0.56 3.23 4.20 -1.26 -2.14 115.11 118.57 2qtb h GLN 505 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qtb h GLN 505 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2qtb h GLN 505 CO 0.00 0.23 0.00 0.09 -0.67 0.00 0.00 178.83 178.48 2qtb n ASN 506 N -3.92 2.84 -4.24 1.46 3.02 -0.94 -4.89 115.26 108.60 2qtb n ASN 506 Ca -0.02 -2.22 -0.25 0.00 -0.03 0.00 0.00 54.58 52.06 2qtb n ASN 506 Cb 0.31 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 38.93 2qtb n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qtb s VAL 507 N -1.67 1.61 -1.01 2.41 1.01 -0.81 -3.34 120.40 118.60 2qtb s VAL 507 Ca 0.29 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2qtb s VAL 507 Cb 0.18 -1.40 0.11 0.00 0.00 0.00 0.00 36.38 35.27 2qtb s VAL 507 CO 0.15 0.19 1.28 -1.10 0.00 0.00 0.00 175.10 175.61 2qtb s GLN 508 N -1.17 3.68 0.27 2.72 -0.21 0.27 -4.99 119.66 120.24 2qtb s GLN 508 Ca 0.07 -1.72 -0.24 0.00 0.02 0.00 0.00 55.36 53.50 2qtb s GLN 508 Cb -0.09 -5.08 -0.09 0.00 1.00 0.00 0.00 33.01 28.75 2qtb s GLN 508 CO 0.02 -1.91 0.85 -1.64 -2.12 0.00 0.00 175.29 170.49 2qtb s MET 509 N 3.20 4.46 0.85 2.91 -1.94 -1.26 -4.35 119.30 123.16 2qtb s MET 509 Ca 0.38 1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 55.39 2qtb s MET 509 Cb -0.03 -2.88 0.10 0.00 2.01 0.00 0.00 34.83 34.04 2qtb s MET 509 CO -0.08 0.35 1.11 -1.25 -0.01 0.00 0.00 175.02 175.15 2qtb s PRO 510 N -1.94 1.67 0.40 2.03 0.04 -1.26 -4.45 135.00 131.49 2qtb s PRO 510 Ca 0.46 0.50 0.08 0.00 0.04 0.00 0.00 61.00 62.08 2qtb s PRO 510 Cb -0.18 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2qtb s PRO 510 CO 0.23 -1.87 0.15 -1.54 0.04 0.00 0.00 177.00 174.01 2qtb s SER 511 N -3.94 4.40 -0.08 6.66 1.04 -0.25 -4.92 113.70 116.61 2qtb s SER 511 Ca 0.62 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2qtb s SER 511 Cb -0.15 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.48 2qtb s SER 511 CO 0.54 -0.48 -0.16 -0.75 0.98 0.00 0.00 173.24 173.37 2qtb s LYS 512 N -3.87 2.14 -0.15 4.02 2.20 -1.26 -0.39 119.74 122.42 2qtb s LYS 512 Ca 0.40 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2qtb s LYS 512 Cb 0.03 -1.72 -0.02 0.00 -1.51 0.00 0.00 37.83 34.60 2qtb s LYS 512 CO 0.22 0.05 -0.07 0.21 -0.36 0.00 0.00 175.35 175.40 2qtb s LYS 513 N 0.66 3.56 -0.17 4.03 2.20 -0.37 -4.96 119.74 124.69 2qtb s LYS 513 Ca -0.14 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2qtb s LYS 513 Cb -0.16 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2qtb s LYS 513 CO 0.04 0.20 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.85 2qtb s LEU 514 N 0.45 2.14 0.00 5.43 2.96 -1.26 -0.49 118.68 127.91 2qtb s LEU 514 Ca -0.06 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 2qtb s LEU 514 Cb -0.15 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2qtb s LEU 514 CO 0.03 0.03 0.00 -0.67 -1.32 0.00 0.00 176.35 174.42 2qtb n ASP 515 N 4.42 0.00 -4.06 3.68 -0.08 -0.71 -5.02 116.55 114.78 2qtb n ASP 515 Ca -0.21 -0.87 -0.09 0.00 -1.51 0.00 0.00 54.79 52.11 2qtb n ASP 515 Cb 0.51 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.88 2qtb n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2qtb s PHE 516 N -6.53 0.63 0.13 -0.67 -0.71 -1.26 -0.97 117.98 108.59 2qtb s PHE 516 Ca 0.00 -1.01 0.06 0.00 -1.04 0.00 0.00 56.93 54.94 2qtb s PHE 516 Cb 0.00 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 2qtb s PHE 516 CO 0.00 -0.60 -0.14 0.96 -1.34 0.00 0.00 175.22 174.10 2qtb s ILE 517 N -4.00 1.33 -0.11 -4.49 -4.36 0.18 -4.94 121.20 104.81 2qtb s ILE 517 Ca 0.20 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 58.78 2qtb s ILE 517 Cb 0.06 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.15 2qtb s ILE 517 CO 0.00 -0.46 0.02 -0.63 0.24 0.00 0.00 174.94 174.12 2qtb s ILE 518 N -2.30 4.50 -0.05 8.37 1.01 -1.26 -0.55 121.20 130.91 2qtb s ILE 518 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2qtb s ILE 518 Cb -0.04 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2qtb s ILE 518 CO 0.03 0.58 0.01 -0.76 0.00 0.00 0.00 174.94 174.80 2qtb s LEU 519 N -0.65 0.68 -1.24 2.97 1.43 0.57 -4.90 118.68 117.54 2qtb s LEU 519 Ca 0.11 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 2qtb s LEU 519 Cb -0.12 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.80 2qtb s LEU 519 CO 0.02 -0.17 0.63 0.59 0.23 0.00 0.00 176.35 177.65 2qtb n ASN 520 N 4.86 -3.67 0.00 2.29 4.13 -1.26 -0.16 115.26 121.45 2qtb n ASN 520 Ca -0.12 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 54.96 2qtb n ASN 520 Cb 0.50 -2.35 0.00 0.00 -1.54 0.00 0.00 39.78 36.39 2qtb n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qtb n GLU 521 N -4.67 0.00 -4.57 3.52 4.71 -1.26 -4.96 120.64 113.41 2qtb n GLU 521 Ca -0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.67 2qtb n GLU 521 Cb 0.60 -3.70 -0.12 0.00 -1.01 0.00 0.00 31.44 27.21 2qtb n GLU 521 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2qtb s THR 522 N -1.87 3.62 0.11 2.62 2.01 0.77 -5.10 115.64 117.80 2qtb s THR 522 Ca 0.00 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2qtb s THR 522 Cb 0.00 -2.54 -0.07 0.00 0.01 0.00 0.00 72.50 69.90 2qtb s THR 522 CO 0.00 0.53 0.60 -1.59 -0.69 0.00 0.00 174.62 173.47 2qtb s LYS 523 N -0.01 4.19 -0.04 4.92 -2.85 -1.26 -0.31 119.74 124.37 2qtb s LYS 523 Ca -0.01 0.74 0.03 0.00 -1.00 0.00 0.00 55.97 55.73 2qtb s LYS 523 Cb -0.14 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 2qtb s LYS 523 CO 0.03 0.58 -0.13 -0.06 0.10 0.00 0.00 175.35 175.87 2qtb s PHE 524 N -1.23 1.38 0.22 1.78 0.40 0.29 -4.96 117.98 115.85 2qtb s PHE 524 Ca 0.33 -0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 56.16 2qtb s PHE 524 Cb -0.19 -0.96 -0.07 0.00 0.51 0.00 0.00 43.02 42.31 2qtb s PHE 524 CO 0.20 -0.17 0.53 -1.58 0.70 0.00 0.00 175.22 174.90 2qtb s TRP 525 N 0.26 3.43 0.16 0.36 0.52 -1.26 -0.65 118.94 121.77 2qtb s TRP 525 Ca -0.06 0.82 -0.04 0.00 0.02 0.00 0.00 56.10 56.84 2qtb s TRP 525 Cb -0.12 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2qtb s TRP 525 CO 0.02 0.28 0.17 1.52 0.02 0.00 0.00 176.95 178.96 2qtb s TYR 526 N -1.82 0.75 0.03 -1.98 -0.85 -0.14 -1.24 117.35 112.09 2qtb s TYR 526 Ca 0.46 -1.09 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 2qtb s TYR 526 Cb -0.11 -0.32 -0.02 0.00 0.38 0.00 0.00 41.96 41.88 2qtb s TYR 526 CO 0.22 -0.64 -0.04 1.14 -1.52 0.00 0.00 175.55 174.72 2qtb s GLN 527 N -4.04 0.38 -0.03 -3.49 -2.07 -0.35 -1.74 119.66 108.31 2qtb s GLN 527 Ca 0.25 -0.69 0.02 0.00 -1.82 0.00 0.00 55.36 53.12 2qtb s GLN 527 Cb 0.06 0.03 0.01 0.00 -1.09 0.00 0.00 33.01 32.02 2qtb s GLN 527 CO 0.04 -0.03 -0.09 -1.64 -1.32 0.00 0.00 175.29 172.24 2qtb s MET 528 N -1.67 1.07 -0.41 9.60 -1.94 0.36 -1.36 119.30 124.94 2qtb s MET 528 Ca -0.13 -0.30 -0.18 0.00 -1.71 0.00 0.00 55.69 53.37 2qtb s MET 528 Cb -0.09 -0.98 0.02 0.00 2.01 0.00 0.00 34.83 35.79 2qtb s MET 528 CO -0.01 0.08 0.50 0.42 -0.01 0.00 0.00 175.02 175.99 2qtb s ILE 529 N 0.36 5.01 -0.05 2.53 -1.09 0.16 -1.23 121.20 126.89 2qtb s ILE 529 Ca -0.06 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.18 2qtb s ILE 529 Cb -0.11 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2qtb s ILE 529 CO 0.01 -0.42 0.24 -0.76 -1.23 0.00 0.00 174.94 172.78 2qtb s LEU 530 N 2.35 4.40 0.89 2.97 1.43 0.47 -2.26 118.68 128.94 2qtb s LEU 530 Ca 0.16 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 2qtb s LEU 530 Cb -0.16 -2.40 0.13 0.00 0.03 0.00 0.00 46.19 43.79 2qtb s LEU 530 CO 0.15 0.33 1.11 -2.84 0.23 0.00 0.00 176.35 175.34 2qtb s PRO 531 N -1.31 1.27 0.72 1.29 0.02 -1.26 -1.09 135.00 134.63 2qtb s PRO 531 Ca 0.21 1.30 -0.16 0.00 0.02 0.00 0.00 61.00 62.37 2qtb s PRO 531 Cb -0.13 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2qtb s PRO 531 CO 0.10 -2.37 0.92 -2.30 -0.33 0.00 0.00 177.00 173.03 2qtb n PRO 532 N -4.03 0.49 -4.27 5.54 -0.02 -1.26 -2.44 135.00 129.01 2qtb n PRO 532 Ca 0.10 0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 2qtb n PRO 532 Cb 0.53 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2qtb n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2qtb n HIS 533 N -2.48 -1.67 -1.57 6.00 8.25 -1.26 -4.78 115.22 117.71 2qtb n HIS 533 Ca 0.13 0.79 -0.53 0.00 -0.26 0.00 0.00 57.72 57.84 2qtb n HIS 533 Cb 0.49 -2.80 -0.06 0.00 1.12 0.00 0.00 29.99 28.74 2qtb n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qtb n PHE 534 N -4.34 1.34 -3.97 4.41 7.35 -1.02 -4.94 117.46 116.28 2qtb n PHE 534 Ca 0.08 0.71 -0.31 0.00 -0.76 0.00 0.00 57.45 57.18 2qtb n PHE 534 Cb 0.48 -2.29 -0.15 0.00 0.35 0.00 0.00 39.48 37.88 2qtb n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2qtb s ASP 535 N 0.36 4.63 0.00 -2.13 3.68 -1.26 -4.98 116.67 116.96 2qtb s ASP 535 Ca 0.85 -2.04 0.00 0.00 2.13 0.00 0.00 52.55 53.48 2qtb s ASP 535 Cb -1.00 -1.49 0.00 0.00 -1.45 0.00 0.00 42.92 38.98 2qtb s ASP 535 CO 0.49 -0.38 0.64 2.29 0.13 0.00 0.00 175.17 178.34 2qtb n LYS 536 N 4.36 0.00 -0.06 4.34 2.85 -1.26 -0.91 118.16 127.48 2qtb n LYS 536 Ca 0.02 0.17 0.12 0.00 -1.05 0.00 0.00 58.31 57.57 2qtb n LYS 536 Cb 0.42 -1.52 0.22 0.00 -0.65 0.00 0.00 35.03 33.50 2qtb n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2qtb n SER 537 N -1.14 2.78 -4.63 -5.58 3.41 -1.26 -4.14 113.62 103.06 2qtb n SER 537 Ca 0.00 -1.90 -0.24 0.00 -0.26 0.00 0.00 58.87 56.48 2qtb n SER 537 Cb 0.02 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 2qtb n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qtb s LYS 538 N -1.85 2.24 -0.32 4.33 1.02 -0.09 -5.03 119.74 120.04 2qtb s LYS 538 Ca 0.33 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 54.80 2qtb s LYS 538 Cb 0.21 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 2qtb s LYS 538 CO 0.31 0.38 0.26 0.15 -0.92 0.00 0.00 175.35 175.52 2qtb s LYS 539 N -3.49 3.63 -0.01 1.68 -0.14 -1.26 -4.15 119.74 115.99 2qtb s LYS 539 Ca 0.30 -0.51 -0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2qtb s LYS 539 Cb -0.07 -3.77 -0.04 0.00 -1.68 0.00 0.00 37.83 32.28 2qtb s LYS 539 CO 0.19 -0.39 0.06 0.71 -0.76 0.00 0.00 175.35 175.15 2qtb s TYR 540 N 1.79 3.23 0.78 3.18 2.02 0.96 -4.59 117.35 124.73 2qtb s TYR 540 Ca 0.08 0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.85 2qtb s TYR 540 Cb -0.17 -1.73 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 2qtb s TYR 540 CO 0.11 0.53 1.10 -1.25 -1.57 0.00 0.00 175.55 174.47 2qtb s PRO 541 N -1.63 2.14 -0.04 -1.71 0.04 -1.26 -0.76 135.00 131.77 2qtb s PRO 541 Ca 0.21 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2qtb s PRO 541 Cb -0.12 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2qtb s PRO 541 CO 0.12 -1.74 -0.02 -1.17 0.04 0.00 0.00 177.00 174.23 2qtb s LEU 542 N -5.91 1.17 -0.27 -3.56 0.20 0.29 -1.91 118.68 108.70 2qtb s LEU 542 Ca 0.63 -0.08 -0.07 0.00 0.69 0.00 0.00 54.13 55.29 2qtb s LEU 542 Cb -0.18 -0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.21 2qtb s LEU 542 CO 0.55 -0.09 0.07 -0.22 -0.29 0.00 0.00 176.35 176.37 2qtb s LEU 543 N 1.09 3.57 -0.44 -0.68 2.96 0.63 0.01 118.68 125.82 2qtb s LEU 543 Ca -0.09 -0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 2qtb s LEU 543 Cb -0.14 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2qtb s LEU 543 CO -0.01 -0.10 0.81 -0.22 -1.32 0.00 0.00 176.35 175.50 2qtb s LEU 544 N 1.56 4.19 -0.39 -0.68 2.96 0.30 -0.93 118.68 125.69 2qtb s LEU 544 Ca 0.05 -0.00 -0.21 0.00 -0.22 0.00 0.00 54.13 53.74 2qtb s LEU 544 Cb -0.16 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.53 2qtb s LEU 544 CO 0.03 -0.91 0.68 -0.62 -1.32 0.00 0.00 176.35 174.21 2qtb s ASP 545 N 2.11 6.42 0.10 3.68 -1.08 0.20 -1.16 116.67 126.95 2qtb s ASP 545 Ca 0.31 0.03 0.08 0.00 -0.52 0.00 0.00 52.55 52.45 2qtb s ASP 545 Cb -0.12 -2.35 -0.03 0.00 -1.46 0.00 0.00 42.92 38.96 2qtb s ASP 545 CO 0.22 -0.71 -0.20 0.54 0.52 0.00 0.00 175.17 175.54 2qtb s VAL 546 N 2.89 1.68 0.00 1.11 0.11 -0.56 -4.27 120.40 121.36 2qtb s VAL 546 Ca 0.26 -1.54 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 2qtb s VAL 546 Cb -0.14 -1.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 2qtb s VAL 546 CO 0.17 -0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.87 2qtb n TYR 547 N 1.08 0.00 -1.48 1.54 4.19 -1.26 -4.32 117.16 116.92 2qtb n TYR 547 Ca -0.19 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 60.86 2qtb n TYR 547 Cb 0.54 0.17 -0.06 0.00 0.49 0.00 0.00 39.34 40.47 2qtb n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2qtb n ALA 548 N -2.34 -0.24 -1.20 2.98 0.00 -1.26 -3.64 120.51 114.81 2qtb n ALA 548 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 2qtb n ALA 548 Cb 0.00 -1.64 0.19 0.00 0.00 0.00 0.00 19.45 18.00 2qtb n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qtb s GLY 549 N -2.82 1.57 0.15 0.00 0.00 -1.26 -4.87 107.32 100.09 2qtb s GLY 549 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 44.72 43.84 2qtb s GLY 549 CO 0.00 0.12 1.53 2.56 0.00 0.00 0.00 173.10 177.31 2qtb s PRO 550 N -5.14 4.24 -1.11 2.90 0.04 -1.26 -2.07 135.00 132.60 2qtb s PRO 550 Ca 0.67 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2qtb s PRO 550 Cb -0.16 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2qtb s PRO 550 CO 0.57 -0.58 0.00 0.00 0.04 0.00 0.00 177.00 177.03 2qtb s SER 552 N -2.58 5.93 -0.18 0.00 1.04 -0.88 -3.97 113.70 113.06 2qtb s SER 552 Ca 0.00 0.63 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 2qtb s SER 552 Cb 0.00 -1.85 0.09 0.00 0.10 0.00 0.00 66.02 64.36 2qtb s SER 552 CO 0.00 -0.74 0.26 -1.58 0.98 0.00 0.00 173.24 172.16 2qtb s GLN 553 N -4.73 0.20 0.00 4.02 0.74 -1.26 -1.27 119.66 117.36 2qtb s GLN 553 Ca 0.49 0.49 0.06 0.00 0.05 0.00 0.00 55.36 56.45 2qtb s GLN 553 Cb -0.10 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.42 2qtb s GLN 553 CO 0.42 -0.50 0.51 1.63 -0.55 0.00 0.00 175.29 176.80 2qtb n LYS 554 N 5.34 2.21 -3.87 1.67 4.76 -1.26 -4.87 118.16 122.14 2qtb n LYS 554 Ca -0.05 -0.50 -0.35 0.00 -2.87 0.00 0.00 58.31 54.54 2qtb n LYS 554 Cb 0.50 -0.97 -0.13 0.00 -1.84 0.00 0.00 35.03 32.58 2qtb n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qtb s ALA 555 N -1.00 2.92 0.34 7.82 0.00 -1.26 -4.79 121.76 125.79 2qtb s ALA 555 Ca 0.05 -2.00 -0.03 0.00 0.00 0.00 0.00 51.96 49.98 2qtb s ALA 555 Cb 0.05 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2qtb s ALA 555 CO 0.15 -1.43 0.50 -0.40 0.00 0.00 0.00 175.76 174.58 2qtb n ASP 556 N 4.60 -1.40 -1.53 0.00 5.68 -1.26 -4.47 116.55 118.18 2qtb n ASP 556 Ca -0.09 -2.80 0.07 0.00 -0.50 0.00 0.00 54.79 51.47 2qtb n ASP 556 Cb 0.43 2.56 0.32 0.00 -1.14 0.00 0.00 41.12 43.29 2qtb n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qtb n THR 557 N -0.55 1.93 -2.63 2.12 -2.24 -0.95 -4.97 114.28 106.99 2qtb n THR 557 Ca -0.00 -1.07 -0.41 0.00 -2.27 0.00 0.00 64.05 60.30 2qtb n THR 557 Cb 0.56 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 2qtb n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qtb s VAL 558 N -2.16 4.08 -0.07 2.28 1.01 -1.26 -1.62 120.40 122.67 2qtb s VAL 558 Ca 0.44 1.85 -0.27 0.00 0.00 0.00 0.00 61.98 63.99 2qtb s VAL 558 Cb 0.31 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2qtb s VAL 558 CO 0.16 0.34 0.88 0.12 0.00 0.00 0.00 175.10 176.60 2qtb s PHE 559 N -0.41 3.57 0.01 5.22 5.36 0.03 -4.92 117.98 126.83 2qtb s PHE 559 Ca 0.47 1.47 0.00 0.00 -0.96 0.00 0.00 56.93 57.91 2qtb s PHE 559 Cb -0.27 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.38 2qtb s PHE 559 CO 0.33 -0.06 -0.02 1.03 -1.46 0.00 0.00 175.22 175.04 2qtb s ARG 560 N 1.33 0.14 -0.37 10.12 0.52 -1.26 -4.92 118.95 124.51 2qtb s ARG 560 Ca 0.45 -0.18 -0.00 0.00 -0.52 0.00 0.00 55.73 55.48 2qtb s ARG 560 Cb -0.19 -0.04 0.10 0.00 0.52 0.00 0.00 34.95 35.34 2qtb s ARG 560 CO 0.21 0.01 0.13 -0.51 0.02 0.00 0.00 175.30 175.15 2qtb s LEU 561 N -0.38 4.94 0.00 2.53 1.43 -1.26 -4.85 118.68 121.10 2qtb s LEU 561 Ca -0.03 -2.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 2qtb s LEU 561 Cb -0.03 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2qtb s LEU 561 CO -0.00 -0.46 0.00 -0.46 0.23 0.00 0.00 176.35 175.66 2qtb n ASN 562 N 4.47 0.00 -0.21 2.29 0.23 -1.26 -4.99 115.26 115.79 2qtb n ASN 562 Ca -0.01 -0.64 -0.00 0.00 -0.53 0.00 0.00 54.58 53.40 2qtb n ASN 562 Cb 0.42 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.23 2qtb n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qtb h TRP 563 N 0.64 0.45 -0.58 -2.53 7.01 -1.97 -0.07 115.95 118.90 2qtb h TRP 563 Ca 0.00 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.09 2qtb h TRP 563 Cb 0.00 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 2qtb h TRP 563 CO 0.00 0.14 0.38 0.00 -2.79 0.00 0.00 178.44 176.17 2qtb h ALA 564 N 1.41 1.85 -0.69 2.65 0.00 -1.98 -0.85 119.26 121.65 2qtb h ALA 564 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2qtb h ALA 564 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2qtb h ALA 564 CO -0.28 0.05 0.40 1.15 0.00 0.00 0.00 179.25 180.56 2qtb h THR 565 N 0.53 1.21 -0.23 0.00 2.02 -1.34 -1.63 112.91 113.48 2qtb h THR 565 Ca 0.25 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 2qtb h THR 565 Cb 0.31 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2qtb h THR 565 CO -0.07 0.22 -0.10 0.22 0.37 0.00 0.00 175.52 176.16 2qtb h TYR 566 N 0.94 0.53 -0.79 3.16 3.20 -1.07 -0.13 116.97 122.82 2qtb h TYR 566 Ca 0.24 -0.13 0.06 0.00 3.14 0.00 0.00 58.73 62.05 2qtb h TYR 566 Cb 0.00 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2qtb h TYR 566 CO -0.01 0.73 0.52 -0.07 -1.64 0.00 0.00 178.16 177.69 2qtb h LEU 567 N 0.18 0.76 0.08 2.82 3.38 -0.92 0.12 115.31 121.74 2qtb h LEU 567 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2qtb h LEU 567 Cb 0.59 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.18 2qtb h LEU 567 CO 0.03 0.50 -0.64 0.00 0.09 0.00 0.00 178.44 178.41 2qtb h ALA 568 N 1.57 -0.00 -0.07 1.53 0.00 -1.28 -1.05 119.26 119.95 2qtb h ALA 568 Ca 0.34 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2qtb h ALA 568 Cb 0.21 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qtb h ALA 568 CO -0.11 0.33 -0.00 1.03 0.00 0.00 0.00 179.25 180.49 2qtb h SER 569 N -0.62 0.13 0.09 0.00 0.87 -0.80 -2.79 113.55 110.43 2qtb h SER 569 Ca -0.13 -0.32 -0.37 0.00 -1.23 0.00 0.00 61.79 59.74 2qtb h SER 569 Cb 1.41 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.31 2qtb h SER 569 CO 0.06 0.42 -2.11 0.41 -0.53 0.00 0.00 176.83 175.09 2qtb n THR 570 N -4.84 1.71 1.15 2.23 -1.04 0.41 -4.46 114.28 109.43 2qtb n THR 570 Ca -0.07 -0.63 0.12 0.00 -2.04 0.00 0.00 64.05 61.44 2qtb n THR 570 Cb 0.20 -1.67 0.22 0.00 -1.82 0.00 0.00 70.33 67.26 2qtb n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qtb n GLU 571 N -3.45 1.05 -3.18 -2.82 -0.58 -0.99 -4.96 120.64 105.71 2qtb n GLU 571 Ca -0.35 -0.74 -0.22 0.00 -0.42 0.00 0.00 57.16 55.42 2qtb n GLU 571 Cb 1.03 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 30.46 2qtb n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qtb n ASN 572 N -0.33 -6.11 -4.73 1.62 4.13 -0.78 -4.95 115.26 104.12 2qtb n ASN 572 Ca 0.11 -0.36 -0.35 0.00 1.68 0.00 0.00 54.58 55.66 2qtb n ASN 572 Cb 0.40 -4.87 -0.08 0.00 -1.54 0.00 0.00 39.78 33.70 2qtb n ASN 572 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qtb s ILE 573 N -3.21 5.16 -0.17 2.41 1.01 -0.47 -4.49 121.20 121.44 2qtb s ILE 573 Ca 0.38 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.84 2qtb s ILE 573 Cb -0.17 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2qtb s ILE 573 CO 0.47 0.50 0.96 -0.63 0.00 0.00 0.00 174.94 176.25 2qtb s ILE 574 N -0.07 4.78 -0.29 2.92 1.01 -0.80 -3.52 121.20 125.22 2qtb s ILE 574 Ca 0.09 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.58 2qtb s ILE 574 Cb -0.12 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.11 2qtb s ILE 574 CO 0.00 -0.05 0.06 -0.69 0.00 0.00 0.00 174.94 174.27 2qtb s VAL 575 N 2.43 3.80 0.20 2.92 1.01 -0.96 -0.27 120.40 129.55 2qtb s VAL 575 Ca 0.44 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.73 2qtb s VAL 575 Cb -0.17 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2qtb s VAL 575 CO 0.12 0.07 -0.12 0.00 0.00 0.00 0.00 175.10 175.18 2qtb s ALA 576 N 1.47 2.89 0.02 5.51 0.00 -0.11 0.38 121.76 131.91 2qtb s ALA 576 Ca 0.02 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 2qtb s ALA 576 Cb -0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2qtb s ALA 576 CO 0.02 0.42 -0.01 -1.12 0.00 0.00 0.00 175.76 175.07 2qtb s SER 577 N -2.96 0.21 -0.01 0.00 0.01 -0.46 0.60 113.70 111.09 2qtb s SER 577 Ca 0.25 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2qtb s SER 577 Cb -0.08 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.28 2qtb s SER 577 CO 0.15 -0.31 -0.00 0.12 0.41 0.00 0.00 173.24 173.61 2qtb s PHE 578 N -1.45 0.14 -0.46 2.43 5.36 -1.26 -1.22 117.98 121.52 2qtb s PHE 578 Ca -0.16 0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 55.71 2qtb s PHE 578 Cb -0.10 -0.17 0.09 0.00 -0.34 0.00 0.00 43.02 42.50 2qtb s PHE 578 CO -0.01 -0.04 0.35 -0.51 -1.46 0.00 0.00 175.22 173.55 2qtb s ASP 579 N 0.40 5.87 0.00 6.13 1.01 -0.38 -4.83 116.67 124.87 2qtb s ASP 579 Ca -0.03 -1.58 0.00 0.00 0.71 0.00 0.00 52.55 51.64 2qtb s ASP 579 Cb -0.06 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2qtb s ASP 579 CO -0.01 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.33 2qtb n GLY 580 N 5.04 2.71 3.71 0.21 0.00 -1.26 -4.00 105.19 111.60 2qtb n GLY 580 Ca -0.11 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 2qtb n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtb n ARG 581 N 0.00 2.37 0.00 1.61 1.74 -1.26 -1.39 116.66 119.74 2qtb n ARG 581 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 2qtb n ARG 581 Cb 0.00 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 2qtb n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qtb n GLY 582 N 1.86 2.46 3.73 -0.13 0.00 0.10 -4.03 105.19 109.18 2qtb n GLY 582 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2qtb n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qtb s SER 583 N -1.31 3.59 0.45 1.61 1.04 -0.48 0.13 113.70 118.73 2qtb s SER 583 Ca 0.00 1.48 0.05 0.00 0.48 0.00 0.00 55.95 57.96 2qtb s SER 583 Cb 0.00 -2.16 0.05 0.00 0.10 0.00 0.00 66.02 64.01 2qtb s SER 583 CO 0.00 -2.56 0.46 0.61 0.98 0.00 0.00 173.24 172.72 2qtb n GLY 584 N -1.22 2.45 2.60 7.32 0.00 -0.40 -3.69 105.19 112.25 2qtb n GLY 584 Ca 0.07 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 2qtb n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qtb n TYR 585 N -1.72 0.00 -1.00 1.61 4.01 -1.26 -4.81 117.16 113.98 2qtb n TYR 585 Ca 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.82 2qtb n TYR 585 Cb 0.49 -2.30 0.05 0.00 -0.31 0.00 0.00 39.34 37.27 2qtb n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qtb n GLN 586 N -1.44 1.23 0.00 -0.72 6.02 -1.26 -4.39 117.38 116.82 2qtb n GLN 586 Ca -0.10 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 2qtb n GLN 586 Cb 0.47 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.74 2qtb n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qtb n GLY 587 N -0.66 1.54 0.25 1.08 0.00 -1.26 -4.67 105.19 101.48 2qtb n GLY 587 Ca 0.06 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.39 2qtb n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qtb h ASP 588 N 0.00 0.00 -0.88 1.61 3.32 -0.06 -1.56 116.42 118.84 2qtb h ASP 588 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2qtb h ASP 588 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2qtb h ASP 588 CO 0.00 0.12 0.58 0.50 -1.72 0.00 0.00 179.24 178.72 2qtb h LYS 589 N 0.00 1.17 0.03 3.56 1.63 -1.86 0.45 116.57 121.55 2qtb h LYS 589 Ca -0.00 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.60 2qtb h LYS 589 Cb 0.26 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2qtb h LYS 589 CO 0.02 0.78 -0.64 0.82 -3.45 0.00 0.00 179.45 176.97 2qtb h ILE 590 N 1.20 1.40 -0.66 2.00 2.04 -1.77 -3.28 117.51 118.44 2qtb h ILE 590 Ca 0.32 -2.32 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 2qtb h ILE 590 Cb -0.13 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 2qtb h ILE 590 CO -0.07 0.54 0.25 -0.03 0.00 0.00 0.00 178.15 178.84 2qtb h MET 591 N -0.86 1.00 -0.05 2.37 4.05 -1.16 0.30 114.93 120.58 2qtb h MET 591 Ca -0.16 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 2qtb h MET 591 Cb 1.25 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2qtb h MET 591 CO -0.04 0.85 0.00 0.72 0.23 0.00 0.00 176.91 178.66 2qtb n HIS 592 N -4.39 0.06 0.27 1.39 8.25 0.16 -4.04 115.22 116.93 2qtb n HIS 592 Ca 0.05 -0.03 0.17 0.00 -0.26 0.00 0.00 57.72 57.65 2qtb n HIS 592 Cb 0.18 0.00 0.92 0.00 1.12 0.00 0.00 29.99 32.22 2qtb n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qtb h ALA 593 N 3.98 1.55 -0.58 -1.41 0.00 -1.56 -1.08 119.26 120.16 2qtb h ALA 593 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qtb h ALA 593 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qtb h ALA 593 CO 0.00 -0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.56 2qtb n ILE 594 N -3.67 1.61 -1.67 0.00 -5.35 -1.26 -4.93 119.36 104.09 2qtb n ILE 594 Ca -0.01 -1.20 -0.46 0.00 -0.27 0.00 0.00 62.75 60.80 2qtb n ILE 594 Cb 0.19 0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.26 2qtb n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qtb n ASN 595 N 0.97 3.21 -0.63 7.28 2.85 -0.41 -0.43 115.26 128.10 2qtb n ASN 595 Ca 0.23 1.05 -0.08 0.00 -0.11 0.00 0.00 54.58 55.67 2qtb n ASN 595 Cb 0.77 -1.42 -0.04 0.00 1.24 0.00 0.00 39.78 40.34 2qtb n ASN 595 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2qtb n ARG 596 N 4.22 -1.56 -2.70 1.20 1.74 0.31 -4.83 116.66 115.04 2qtb n ARG 596 Ca 0.18 0.76 -0.07 0.00 -0.77 0.00 0.00 57.85 57.95 2qtb n ARG 596 Cb 0.29 -5.07 0.05 0.00 -1.02 0.00 0.00 32.46 26.71 2qtb n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qtb n ARG 597 N -0.78 1.26 -1.66 5.56 3.00 0.43 -4.91 116.66 119.56 2qtb n ARG 597 Ca -0.08 -3.10 -0.34 0.00 -0.01 0.00 0.00 57.85 54.32 2qtb n ARG 597 Cb 0.52 -1.14 0.07 0.00 0.00 0.00 0.00 32.46 31.90 2qtb n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qtb s LEU 598 N -3.28 3.41 0.00 0.55 1.43 -1.21 -3.18 118.68 116.40 2qtb s LEU 598 Ca 0.26 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2qtb s LEU 598 Cb 0.43 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2qtb s LEU 598 CO 0.01 -1.93 0.00 0.61 0.23 0.00 0.00 176.35 175.27 2qtb n GLY 599 N 0.14 0.43 0.00 -3.19 0.00 -1.26 -4.84 105.19 96.47 2qtb n GLY 599 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2qtb n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qtb n THR 600 N -2.99 0.00 -0.24 2.61 -2.24 -1.19 -4.78 114.28 105.45 2qtb n THR 600 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2qtb n THR 600 Cb 0.00 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.48 2qtb n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2qtb h PHE 601 N 0.00 0.97 0.00 4.78 0.04 -1.92 -0.23 116.94 120.58 2qtb h PHE 601 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 2qtb h PHE 601 Cb 0.00 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 2qtb h PHE 601 CO 0.00 0.58 -0.39 1.05 -0.60 0.00 0.00 178.31 178.95 2qtb h GLU 602 N 1.02 0.00 0.00 1.51 9.09 -1.91 0.92 114.58 125.21 2qtb h GLU 602 Ca 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.71 2qtb h GLU 602 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 2qtb h GLU 602 CO -0.08 0.39 -0.04 0.28 0.05 0.00 0.00 179.01 179.61 2qtb h VAL 603 N 0.00 1.62 -0.89 -1.06 2.07 -1.63 -3.15 116.25 113.22 2qtb h VAL 603 Ca -0.00 -1.89 0.06 0.00 0.82 0.00 0.00 66.70 65.69 2qtb h VAL 603 Cb 0.73 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.33 2qtb h VAL 603 CO 0.05 0.49 0.56 -0.33 0.02 0.00 0.00 177.57 178.36 2qtb h GLU 604 N -0.75 0.99 -0.08 1.57 5.08 -0.92 -2.19 114.58 118.27 2qtb h GLU 604 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2qtb h GLU 604 Cb 0.83 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2qtb h GLU 604 CO 0.01 0.65 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.02 2qtb h ASP 605 N 1.02 0.13 -0.49 1.42 3.32 -0.91 -1.06 116.42 119.85 2qtb h ASP 605 Ca 0.38 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 2qtb h ASP 605 Cb 0.16 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2qtb h ASP 605 CO -0.17 0.35 -0.18 1.56 -1.72 0.00 0.00 179.24 179.08 2qtb h GLN 606 N 0.13 1.00 -0.24 3.56 1.08 -1.36 -1.43 115.11 117.84 2qtb h GLN 606 Ca 0.02 -0.41 -0.03 0.00 -1.45 0.00 0.00 58.65 56.78 2qtb h GLN 606 Cb 0.45 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2qtb h GLN 606 CO 0.03 1.09 0.04 0.82 -0.95 0.00 0.00 178.83 179.86 2qtb h ILE 607 N 0.86 1.23 -0.88 2.54 2.04 -1.19 -1.31 117.51 120.80 2qtb h ILE 607 Ca 0.12 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.28 2qtb h ILE 607 Cb 0.76 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 2qtb h ILE 607 CO 0.06 0.25 0.54 -0.08 0.00 0.00 0.00 178.15 178.92 2qtb h GLU 608 N 0.21 0.93 -0.21 2.37 4.22 -1.10 0.21 114.58 121.22 2qtb h GLU 608 Ca 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 2qtb h GLU 608 Cb 0.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2qtb h GLU 608 CO 0.01 0.62 0.01 0.00 -2.18 0.00 0.00 179.01 177.46 2qtb h ALA 609 N 1.43 0.29 -0.36 2.92 0.00 -1.04 -0.79 119.26 121.70 2qtb h ALA 609 Ca 0.39 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2qtb h ALA 609 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qtb h ALA 609 CO -0.19 -0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.28 2qtb h ALA 610 N 0.80 0.46 -0.57 0.00 0.00 -0.56 0.10 119.26 119.50 2qtb h ALA 610 Ca 0.06 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2qtb h ALA 610 Cb 0.38 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2qtb h ALA 610 CO 0.01 -0.10 0.11 -0.09 0.00 0.00 0.00 179.25 179.17 2qtb h ARG 611 N 0.47 0.23 -0.44 0.00 2.43 -0.42 0.32 114.38 116.97 2qtb h ARG 611 Ca 0.14 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2qtb h ARG 611 Cb -0.03 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2qtb h ARG 611 CO -0.04 0.15 -0.19 1.96 -1.51 0.00 0.00 179.97 180.34 2qtb h GLN 612 N 0.24 0.85 -0.43 0.20 4.20 -0.31 -2.74 115.11 117.11 2qtb h GLN 612 Ca 0.29 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 2qtb h GLN 612 Cb 0.43 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2qtb h GLN 612 CO -0.39 0.97 -0.07 0.74 -0.67 0.00 0.00 178.83 179.41 2qtb h PHE 613 N 0.75 0.81 0.00 2.96 0.04 0.50 -1.99 116.94 120.00 2qtb h PHE 613 Ca 0.11 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2qtb h PHE 613 Cb 0.71 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 2qtb h PHE 613 CO 0.04 0.79 -0.11 0.66 -0.60 0.00 0.00 178.31 179.09 2qtb h SER 614 N 0.69 0.00 0.03 2.17 4.64 -0.19 -0.81 113.55 120.08 2qtb h SER 614 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2qtb h SER 614 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2qtb h SER 614 CO 0.03 0.11 -0.01 0.29 -0.87 0.00 0.00 176.83 176.38 2qtb n LYS 615 N -3.53 1.17 -3.08 4.77 5.02 -0.75 -4.58 118.16 117.18 2qtb n LYS 615 Ca -0.01 -0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 55.61 2qtb n LYS 615 Cb 0.25 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2qtb n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qtb s MET 616 N -2.05 4.23 0.51 1.97 -1.94 -0.31 -4.97 119.30 116.75 2qtb s MET 616 Ca 0.43 0.86 0.23 0.00 -1.71 0.00 0.00 55.69 55.50 2qtb s MET 616 Cb 0.22 -2.78 1.32 0.00 2.01 0.00 0.00 34.83 35.60 2qtb s MET 616 CO 0.37 0.34 2.01 0.78 -0.01 0.00 0.00 175.02 178.50 2qtb h GLY 617 N 3.17 0.10 -2.25 -0.03 0.00 -1.88 -2.45 103.07 99.73 2qtb h GLY 617 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2qtb h GLY 617 CO 0.65 0.01 0.00 1.97 0.00 0.00 0.00 176.54 179.18 2qtb n PHE 618 N -4.41 0.93 -4.58 5.60 1.16 -1.26 -4.57 117.46 110.32 2qtb n PHE 618 Ca 0.09 -0.41 -0.33 0.00 -1.87 0.00 0.00 57.45 54.92 2qtb n PHE 618 Cb 0.52 -0.09 -0.13 0.00 -1.61 0.00 0.00 39.48 38.18 2qtb n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2qtb s VAL 619 N -1.47 3.56 -0.64 1.97 1.01 -0.93 -0.03 120.40 123.87 2qtb s VAL 619 Ca 0.38 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 2qtb s VAL 619 Cb 0.22 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 34.14 2qtb s VAL 619 CO 0.23 0.52 0.98 -0.62 0.00 0.00 0.00 175.10 176.21 2qtb s ASP 620 N 0.13 6.20 0.00 3.32 -1.08 0.06 -4.69 116.67 120.61 2qtb s ASP 620 Ca -0.03 -0.83 0.02 0.00 -0.52 0.00 0.00 52.55 51.19 2qtb s ASP 620 Cb -0.14 -2.43 0.08 0.00 -1.46 0.00 0.00 42.92 38.97 2qtb s ASP 620 CO 0.04 -1.42 0.86 -0.46 0.52 0.00 0.00 175.17 174.71 2qtb n ASN 621 N 7.77 0.00 0.02 -0.34 2.04 -1.26 -0.09 115.26 123.40 2qtb n ASN 621 Ca -0.02 0.28 0.11 0.00 -0.44 0.00 0.00 54.58 54.51 2qtb n ASN 621 Cb 0.46 -0.30 0.10 0.00 -2.53 0.00 0.00 39.78 37.51 2qtb n ASN 621 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2qtb n LYS 622 N -1.30 0.16 -3.39 -3.83 5.02 -1.26 -4.52 118.16 109.04 2qtb n LYS 622 Ca 0.01 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 2qtb n LYS 622 Cb 0.01 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.38 2qtb n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qtb n ARG 623 N -1.78 1.65 -5.14 1.97 1.74 0.88 -4.83 116.66 111.15 2qtb n ARG 623 Ca 0.03 -4.04 -0.32 0.00 -0.77 0.00 0.00 57.85 52.75 2qtb n ARG 623 Cb 0.39 -1.86 -0.17 0.00 -1.02 0.00 0.00 32.46 29.80 2qtb n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qtb s ILE 624 N -1.73 2.04 0.41 0.55 1.01 -1.26 -0.55 121.20 121.68 2qtb s ILE 624 Ca 0.36 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2qtb s ILE 624 Cb 0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2qtb s ILE 624 CO -0.08 0.55 0.05 0.00 0.00 0.00 0.00 174.94 175.47 2qtb s ALA 625 N 0.41 3.12 -0.08 9.38 0.00 0.10 -0.67 121.76 134.02 2qtb s ALA 625 Ca -0.17 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 2qtb s ALA 625 Cb -0.18 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2qtb s ALA 625 CO 0.07 -0.20 0.28 -1.50 0.00 0.00 0.00 175.76 174.42 2qtb s ILE 626 N -3.04 0.02 0.03 0.00 2.07 -0.94 -0.54 121.20 118.81 2qtb s ILE 626 Ca 0.25 -0.13 -0.14 0.00 -1.41 0.00 0.00 60.65 59.22 2qtb s ILE 626 Cb 0.06 -0.45 0.02 0.00 0.13 0.00 0.00 42.46 42.22 2qtb s ILE 626 CO 0.13 -0.07 0.31 -1.66 -1.91 0.00 0.00 174.94 171.73 2qtb s TRP 627 N -0.22 -0.12 0.00 3.50 1.48 -0.31 -1.25 118.94 122.03 2qtb s TRP 627 Ca -0.03 0.02 -0.28 0.00 -1.06 0.00 0.00 56.10 54.75 2qtb s TRP 627 Cb -0.03 0.10 0.10 0.00 -1.16 0.00 0.00 33.47 32.47 2qtb s TRP 627 CO 0.01 -0.48 0.84 0.20 -4.06 0.00 0.00 176.95 173.46 2qtb s GLY 628 N -1.93 -0.48 -0.00 3.67 0.00 -0.69 -1.49 107.32 106.40 2qtb s GLY 628 Ca -0.07 1.04 0.07 0.00 0.00 0.00 0.00 44.72 45.76 2qtb s GLY 628 CO -0.02 0.40 -0.21 0.86 0.00 0.00 0.00 173.10 174.14 2qtb s TRP 629 N -2.95 1.84 0.00 1.90 -0.11 -1.26 -0.90 118.94 117.46 2qtb s TRP 629 Ca 0.03 -0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.00 2qtb s TRP 629 Cb -0.01 -1.16 0.00 0.00 -1.50 0.00 0.00 33.47 30.80 2qtb s TRP 629 CO -0.08 -0.00 0.00 0.45 -4.62 0.00 0.00 176.95 172.70 2qtb n SER 630 N 2.41 0.00 -0.12 5.86 2.88 0.55 -0.73 113.62 124.47 2qtb n SER 630 Ca -0.16 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.55 2qtb n SER 630 Cb 0.53 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.55 2qtb n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2qtb h TYR 631 N 0.00 0.35 0.00 0.66 5.03 -1.88 0.39 116.97 121.52 2qtb h TYR 631 Ca 0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 2qtb h TYR 631 Cb 0.00 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 2qtb h TYR 631 CO 0.00 0.13 -0.21 0.78 -1.32 0.00 0.00 178.16 177.55 2qtb h GLY 632 N 0.30 0.00 1.34 1.82 0.00 -0.99 -2.12 103.07 103.42 2qtb h GLY 632 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.49 2qtb h GLY 632 CO -0.09 0.00 -0.59 -1.33 0.00 0.00 0.00 176.54 174.53 2qtb h GLY 633 N 1.41 0.75 0.94 4.60 0.00 -0.24 -2.46 103.07 108.07 2qtb h GLY 633 Ca -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 2qtb h GLY 633 CO 0.03 0.81 -0.13 -1.82 0.00 0.00 0.00 176.54 175.43 2qtb h TYR 634 N 0.51 -0.34 -0.78 5.60 3.20 -1.03 -1.14 116.97 122.99 2qtb h TYR 634 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2qtb h TYR 634 Cb 1.17 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2qtb h TYR 634 CO 0.06 -0.17 0.35 0.28 -1.64 0.00 0.00 178.16 177.05 2qtb h VAL 635 N -0.43 1.25 -0.84 1.81 2.07 -1.50 0.10 116.25 118.73 2qtb h VAL 635 Ca -0.04 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2qtb h VAL 635 Cb 0.32 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2qtb h VAL 635 CO 0.06 0.31 0.45 0.74 0.02 0.00 0.00 177.57 179.15 2qtb h THR 636 N 1.12 1.25 -0.26 2.57 2.02 -1.34 0.17 112.91 118.44 2qtb h THR 636 Ca 0.27 -0.63 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 2qtb h THR 636 Cb 0.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2qtb h THR 636 CO -0.03 0.28 -0.51 0.28 0.37 0.00 0.00 175.52 175.92 2qtb h SER 637 N 1.17 0.90 0.01 4.18 0.02 -0.53 -1.52 113.55 117.77 2qtb h SER 637 Ca 0.29 -0.54 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 2qtb h SER 637 Cb 0.05 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2qtb h SER 637 CO -0.05 1.27 -0.19 0.24 -1.14 0.00 0.00 176.83 176.96 2qtb h MET 638 N 0.56 0.33 0.12 3.45 2.86 -0.58 -1.69 114.93 119.98 2qtb h MET 638 Ca 0.01 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2qtb h MET 638 Cb 1.11 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2qtb h MET 638 CO 0.11 0.52 -0.06 0.28 1.06 0.00 0.00 176.91 178.83 2qtb h VAL 639 N 0.31 1.08 -0.02 -2.22 2.07 -0.86 -2.48 116.25 114.13 2qtb h VAL 639 Ca 0.05 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2qtb h VAL 639 Cb 0.52 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2qtb h VAL 639 CO 0.03 0.23 0.02 -0.07 0.02 0.00 0.00 177.57 177.81 2qtb h LEU 640 N -0.64 0.00 -2.90 2.57 3.38 -1.20 -0.55 115.31 115.97 2qtb h LEU 640 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qtb h LEU 640 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qtb h LEU 640 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2qtb n GLY 641 N -1.43 2.50 0.14 0.83 0.00 -0.64 -4.34 105.19 102.24 2qtb n GLY 641 Ca -0.02 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.34 2qtb n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qtb h SER 642 N 3.64 0.00 0.00 1.61 4.64 -0.62 -3.43 113.55 119.39 2qtb h SER 642 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qtb h SER 642 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2qtb h SER 642 CO 0.26 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 2qtb n GLY 643 N 1.16 0.50 0.23 -0.77 0.00 -1.26 -4.93 105.19 100.12 2qtb n GLY 643 Ca 0.01 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.86 2qtb n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qtb h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.46 113.55 114.43 2qtb h SER 644 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qtb h SER 644 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qtb h SER 644 CO 0.00 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2qtb n GLY 645 N -0.82 0.62 0.11 -0.77 0.00 -1.26 -4.88 105.19 98.19 2qtb n GLY 645 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2qtb n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qtb h VAL 646 N 0.00 1.50 -2.77 1.61 2.07 -1.97 -3.46 116.25 113.23 2qtb h VAL 646 Ca 0.00 -2.89 -0.67 0.00 0.82 0.00 0.00 66.70 63.96 2qtb h VAL 646 Cb 0.07 2.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.51 2qtb h VAL 646 CO 0.00 0.85 -0.50 -0.36 0.02 0.00 0.00 177.57 177.57 2qtb s PHE 647 N -2.88 3.52 -0.05 1.57 0.08 -1.26 -4.61 117.98 114.35 2qtb s PHE 647 Ca -0.04 0.45 0.13 0.00 0.12 0.00 0.00 56.93 57.59 2qtb s PHE 647 Cb 0.08 -1.90 -0.21 0.00 -0.57 0.00 0.00 43.02 40.42 2qtb s PHE 647 CO 0.86 0.68 0.72 -0.22 -0.10 0.00 0.00 175.22 177.17 2qtb h LYS 648 N 4.82 0.00 -3.01 0.44 3.64 -1.22 -3.46 116.57 117.78 2qtb h LYS 648 Ca -0.53 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2qtb h LYS 648 Cb 1.22 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 2qtb h LYS 648 CO 0.59 0.48 0.21 0.00 -2.27 0.00 0.00 179.45 178.46 2qtb s GLY 650 N -2.82 -0.60 -0.10 0.00 0.00 -0.19 -2.21 107.32 101.40 2qtb s GLY 650 Ca 0.05 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.64 2qtb s GLY 650 CO -0.05 0.51 -0.13 -0.42 0.00 0.00 0.00 173.10 173.01 2qtb s ILE 651 N -2.62 1.32 -0.19 0.90 1.01 -0.38 -1.83 121.20 119.41 2qtb s ILE 651 Ca -0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2qtb s ILE 651 Cb -0.01 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 2qtb s ILE 651 CO -0.03 0.40 -0.11 0.00 0.00 0.00 0.00 174.94 175.21 2qtb s ALA 652 N 1.02 2.62 -0.17 9.38 0.00 -0.65 -1.70 121.76 132.26 2qtb s ALA 652 Ca -0.07 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 2qtb s ALA 652 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 2qtb s ALA 652 CO -0.01 -0.26 -0.08 0.08 0.00 0.00 0.00 175.76 175.49 2qtb s VAL 653 N 1.19 3.37 -1.35 0.00 1.01 -0.08 -1.62 120.40 122.92 2qtb s VAL 653 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 2qtb s VAL 653 Cb -0.14 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2qtb s VAL 653 CO -0.04 0.48 0.42 0.00 0.00 0.00 0.00 175.10 175.96 2qtb n ALA 654 N 3.96 -2.34 -2.05 5.51 0.00 0.23 -0.33 120.51 125.49 2qtb n ALA 654 Ca -0.18 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2qtb n ALA 654 Cb 0.52 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 18.03 2qtb n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qtb s PRO 655 N -7.26 3.43 0.16 0.00 0.04 -1.26 -2.74 135.00 127.36 2qtb s PRO 655 Ca 0.27 0.42 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 2qtb s PRO 655 Cb -0.14 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 2qtb s PRO 655 CO 0.97 -0.49 0.72 0.08 0.04 0.00 0.00 177.00 178.32 2qtb s VAL 656 N -3.01 4.49 -0.05 -0.36 1.01 -1.25 -4.52 120.40 116.71 2qtb s VAL 656 Ca 0.52 1.52 0.04 0.00 0.00 0.00 0.00 61.98 64.06 2qtb s VAL 656 Cb -0.11 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2qtb s VAL 656 CO 0.49 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 174.53 2qtb n SER 657 N 1.46 3.67 -3.73 3.32 3.41 -1.26 -4.22 113.62 116.26 2qtb n SER 657 Ca -0.06 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 2qtb n SER 657 Cb 0.50 0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 64.80 2qtb n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qtb s ARG 658 N -2.13 0.30 0.62 4.33 1.70 -1.26 -0.71 118.95 121.80 2qtb s ARG 658 Ca -0.04 0.56 0.35 0.00 -0.47 0.00 0.00 55.73 56.13 2qtb s ARG 658 Cb 0.02 -0.00 2.03 0.00 -0.57 0.00 0.00 34.95 36.42 2qtb s ARG 658 CO 0.20 -0.12 2.29 -1.49 -1.08 0.00 0.00 175.30 175.09 2qtb h TRP 659 N 6.70 0.00 0.00 5.89 4.06 -1.85 -1.01 115.95 129.73 2qtb h TRP 659 Ca -0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.60 2qtb h TRP 659 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2qtb h TRP 659 CO 0.34 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.61 2qtb n GLU 660 N -3.58 0.01 0.07 0.49 1.02 -1.26 -2.10 120.64 115.30 2qtb n GLU 660 Ca -0.03 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.52 2qtb n GLU 660 Cb 0.09 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.03 2qtb n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2qtb n TYR 661 N -1.53 0.69 -2.84 -0.32 4.01 -0.38 -3.97 117.16 112.81 2qtb n TYR 661 Ca 0.03 0.20 -0.24 0.00 -0.16 0.00 0.00 57.90 57.73 2qtb n TYR 661 Cb 0.15 -0.76 0.01 0.00 -0.31 0.00 0.00 39.34 38.43 2qtb n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2qtb s TYR 662 N -3.29 3.25 0.72 -0.72 5.04 -0.89 -4.82 117.35 116.64 2qtb s TYR 662 Ca 0.02 0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 54.85 2qtb s TYR 662 Cb 0.12 -2.40 0.03 0.00 0.35 0.00 0.00 41.96 40.06 2qtb s TYR 662 CO 0.78 -0.45 1.19 0.16 -1.34 0.00 0.00 175.55 175.89 2qtb s ASP 663 N -4.23 4.32 0.10 4.32 1.47 -1.26 -1.23 116.67 120.16 2qtb s ASP 663 Ca 0.49 2.30 -0.19 0.00 1.18 0.00 0.00 52.55 56.33 2qtb s ASP 663 Cb -0.10 -2.58 -0.06 0.00 -0.34 0.00 0.00 42.92 39.83 2qtb s ASP 663 CO 0.40 -2.17 1.62 0.77 0.68 0.00 0.00 175.17 176.46 2qtb h SER 664 N -0.27 0.38 -0.64 2.11 4.64 -1.11 -1.93 113.55 116.74 2qtb h SER 664 Ca -0.47 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 60.70 2qtb h SER 664 Cb 1.29 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2qtb h SER 664 CO 0.50 0.48 0.36 0.58 -0.87 0.00 0.00 176.83 177.88 2qtb h VAL 665 N 0.27 0.98 0.01 0.95 2.07 -1.93 -1.12 116.25 117.47 2qtb h VAL 665 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2qtb h VAL 665 Cb 0.23 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2qtb h VAL 665 CO -0.00 0.12 -0.09 0.22 0.02 0.00 0.00 177.57 177.84 2qtb h TYR 666 N 0.68 0.02 0.16 1.57 5.03 -1.93 -3.25 116.97 119.25 2qtb h TYR 666 Ca 0.28 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 2qtb h TYR 666 Cb 0.15 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 2qtb h TYR 666 CO -0.08 1.04 -0.10 1.15 -1.32 0.00 0.00 178.16 178.85 2qtb h THR 667 N -0.97 0.80 0.00 1.81 2.02 -1.34 -2.89 112.91 112.34 2qtb h THR 667 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2qtb h THR 667 Cb 1.04 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2qtb h THR 667 CO -0.00 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.42 2qtb h GLU 668 N -0.25 0.00 -0.91 6.66 5.08 -1.39 0.30 114.58 124.07 2qtb h GLU 668 Ca -0.02 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2qtb h GLU 668 Cb 0.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2qtb h GLU 668 CO 0.02 0.13 0.59 -0.09 -1.00 0.00 0.00 179.01 178.67 2qtb h ARG 669 N 0.00 1.02 0.00 2.33 2.43 -1.54 0.97 114.38 119.59 2qtb h ARG 669 Ca -0.00 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 2qtb h ARG 669 Cb 0.28 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2qtb h ARG 669 CO 0.02 0.67 -1.99 0.66 -1.51 0.00 0.00 179.97 177.82 2qtb n TYR 670 N -4.49 0.00 0.27 2.20 4.01 -0.79 -4.61 117.16 113.76 2qtb n TYR 670 Ca 0.14 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.91 2qtb n TYR 670 Cb 0.19 -0.59 0.03 0.00 -0.31 0.00 0.00 39.34 38.66 2qtb n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qtb n MET 671 N -2.33 -0.06 0.00 -0.72 2.81 0.99 0.11 117.12 117.92 2qtb n MET 671 Ca -0.12 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 2qtb n MET 671 Cb 0.70 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2qtb n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qtb n GLY 672 N 0.37 -0.21 3.88 3.03 0.00 0.33 -4.68 105.19 107.91 2qtb n GLY 672 Ca 0.04 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 2qtb n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtb s LEU 673 N 0.00 4.28 -1.35 0.99 1.43 -1.26 -4.32 118.68 118.45 2qtb s LEU 673 Ca 0.00 0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 53.74 2qtb s LEU 673 Cb 0.00 -3.24 0.11 0.00 0.03 0.00 0.00 46.19 43.09 2qtb s LEU 673 CO 0.00 0.08 2.25 -0.81 0.23 0.00 0.00 176.35 178.10 2qtb n PRO 674 N 0.39 4.02 -4.28 1.29 -0.04 -1.26 -1.00 135.00 134.12 2qtb n PRO 674 Ca -0.04 -3.29 -0.21 0.00 -0.04 0.00 0.00 63.50 59.92 2qtb n PRO 674 Cb 0.52 -2.80 -0.11 0.00 -0.04 0.00 0.00 33.50 31.06 2qtb n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qtb s THR 675 N 0.07 1.56 0.51 0.52 -4.23 -1.26 -4.68 115.64 108.12 2qtb s THR 675 Ca 0.50 -1.72 0.19 0.00 -1.18 0.00 0.00 61.69 59.48 2qtb s THR 675 Cb 0.15 -1.61 0.33 0.00 1.34 0.00 0.00 72.50 72.71 2qtb s THR 675 CO -0.05 -0.29 2.06 1.55 -0.54 0.00 0.00 174.62 177.35 2qtb h PRO 676 N 3.60 0.09 0.00 3.99 0.13 -1.97 0.39 132.00 138.23 2qtb h PRO 676 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qtb h PRO 676 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qtb h PRO 676 CO 0.48 0.06 0.00 0.93 -0.23 0.00 0.00 178.00 179.23 2qtb h GLU 677 N 0.09 0.00 0.00 0.86 3.07 -1.95 -3.43 114.58 113.21 2qtb h GLU 677 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2qtb h GLU 677 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2qtb h GLU 677 CO -0.01 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.13 2qtb n ASP 678 N -2.32 0.00 -1.20 1.42 -0.08 0.08 -5.03 116.55 109.43 2qtb n ASP 678 Ca 0.03 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.35 2qtb n ASP 678 Cb 0.31 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.81 2qtb n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2qtb n ASN 679 N -0.15 0.93 -0.19 1.67 5.15 -0.17 -4.90 115.26 117.60 2qtb n ASN 679 Ca 0.00 -2.22 -0.03 0.00 -0.60 0.00 0.00 54.58 51.73 2qtb n ASN 679 Cb 0.00 -0.31 0.07 0.00 -0.53 0.00 0.00 39.78 39.01 2qtb n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2qtb h LEU 680 N 0.80 0.40 -0.68 1.20 5.85 -1.54 -2.48 115.31 118.86 2qtb h LEU 680 Ca -0.16 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.74 2qtb h LEU 680 Cb 1.70 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.58 2qtb h LEU 680 CO 0.07 0.27 0.09 0.44 -0.34 0.00 0.00 178.44 178.98 2qtb h ASP 681 N 0.54 -0.12 0.83 1.25 3.32 -1.90 0.47 116.42 120.81 2qtb h ASP 681 Ca 0.25 0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.35 2qtb h ASP 681 Cb 0.16 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2qtb h ASP 681 CO -0.17 -0.07 -0.48 -0.74 -1.72 0.00 0.00 179.24 176.05 2qtb h HIS 682 N 0.20 0.00 -0.71 4.55 2.76 -1.84 -0.86 115.15 119.26 2qtb h HIS 682 Ca 0.37 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.50 2qtb h HIS 682 Cb 0.61 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.54 2qtb h HIS 682 CO -0.31 0.48 0.28 1.88 -1.30 0.00 0.00 177.93 178.97 2qtb h TYR 683 N 0.00 1.05 0.00 5.26 0.05 -0.57 -1.75 116.97 121.01 2qtb h TYR 683 Ca -0.00 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 2qtb h TYR 683 Cb 1.03 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2qtb h TYR 683 CO 0.00 0.80 -0.33 0.00 -1.05 0.00 0.00 178.16 177.58 2qtb h ARG 684 N 1.02 0.00 -0.01 4.88 2.47 -0.51 -3.28 114.38 118.96 2qtb h ARG 684 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 2qtb h ARG 684 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2qtb h ARG 684 CO -0.02 0.27 -0.39 0.09 0.56 0.00 0.00 179.97 180.49 2qtb n ASN 685 N -3.15 1.03 -1.53 7.04 3.02 -0.37 -4.20 115.26 117.09 2qtb n ASN 685 Ca 0.02 -0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 53.65 2qtb n ASN 685 Cb 0.65 0.26 0.21 0.00 -0.61 0.00 0.00 39.78 40.28 2qtb n ASN 685 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2qtb n SER 686 N -0.82 3.16 -4.92 6.41 3.41 -0.68 -5.00 113.62 115.18 2qtb n SER 686 Ca 0.10 -3.62 -0.27 0.00 -0.26 0.00 0.00 58.87 54.82 2qtb n SER 686 Cb 0.36 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 2qtb n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qtb s THR 687 N -3.21 5.13 0.02 6.66 -4.23 -1.26 -4.75 115.64 114.00 2qtb s THR 687 Ca 0.49 -0.28 -0.20 0.00 -1.18 0.00 0.00 61.69 60.52 2qtb s THR 687 Cb 0.43 -3.76 -0.17 0.00 1.34 0.00 0.00 72.50 70.33 2qtb s THR 687 CO 0.05 -0.30 1.24 0.58 -0.54 0.00 0.00 174.62 175.65 2qtb h VAL 688 N 1.31 1.39 -1.01 2.29 2.07 -1.27 -3.30 116.25 117.74 2qtb h VAL 688 Ca -0.48 -1.62 0.26 0.00 0.82 0.00 0.00 66.70 65.68 2qtb h VAL 688 Cb 1.20 2.16 -0.13 0.00 -1.52 0.00 0.00 31.29 33.00 2qtb h VAL 688 CO 0.66 0.47 0.59 0.24 0.02 0.00 0.00 177.57 179.55 2qtb h MET 689 N -0.06 0.51 0.00 1.57 2.86 -1.91 0.48 114.93 118.37 2qtb h MET 689 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qtb h MET 689 Cb 0.91 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2qtb h MET 689 CO 0.06 0.33 0.00 0.66 1.06 0.00 0.00 176.91 179.03 2qtb h SER 690 N 0.52 0.00 -0.53 1.22 4.64 -1.94 -2.19 113.55 115.27 2qtb h SER 690 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 2qtb h SER 690 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2qtb h SER 690 CO -0.50 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.00 2qtb n ARG 691 N -2.77 2.59 -0.38 4.77 1.74 0.16 -4.71 116.66 118.06 2qtb n ARG 691 Ca -0.01 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 2qtb n ARG 691 Cb 0.15 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 2qtb n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qtb n ALA 692 N 1.56 -0.06 -0.33 7.54 0.00 -0.82 -1.29 120.51 127.11 2qtb n ALA 692 Ca 0.22 1.00 0.19 0.00 0.00 0.00 0.00 53.44 54.85 2qtb n ALA 692 Cb 0.61 -0.48 0.43 0.00 0.00 0.00 0.00 19.45 20.02 2qtb n ALA 692 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qtb h GLU 693 N 0.00 0.52 0.00 0.00 4.57 -1.86 -0.58 114.58 117.22 2qtb h GLU 693 Ca 0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2qtb h GLU 693 Cb 0.62 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2qtb h GLU 693 CO -0.99 0.34 0.00 0.09 -1.18 0.00 0.00 179.01 177.27 2qtb n ASN 694 N -4.70 0.00 0.00 1.04 3.02 -0.41 -2.69 115.26 111.52 2qtb n ASN 694 Ca 0.24 0.17 0.15 0.00 -0.03 0.00 0.00 54.58 55.11 2qtb n ASN 694 Cb 0.75 -0.34 0.72 0.00 -0.61 0.00 0.00 39.78 40.30 2qtb n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qtb n PHE 695 N -1.34 0.00 0.23 3.10 3.72 -0.23 -3.92 117.46 119.03 2qtb n PHE 695 Ca 0.06 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.61 2qtb n PHE 695 Cb 0.14 -0.34 0.81 0.00 -0.94 0.00 0.00 39.48 39.14 2qtb n PHE 695 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2qtb h LYS 696 N 0.00 0.00 -0.65 -1.08 1.57 -1.70 -2.31 116.57 112.39 2qtb h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qtb h LYS 696 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2qtb h LYS 696 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2qtb n GLN 697 N -4.02 3.93 -4.17 3.15 6.02 -1.25 -4.97 117.38 116.06 2qtb n GLN 697 Ca -0.00 -2.87 -0.11 0.00 -0.01 0.00 0.00 57.00 54.01 2qtb n GLN 697 Cb 0.21 -1.97 -0.10 0.00 1.02 0.00 0.00 30.24 29.41 2qtb n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2qtb s VAL 698 N -2.03 0.50 -0.24 5.09 -7.23 -0.87 -4.93 120.40 110.69 2qtb s VAL 698 Ca 0.51 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 2qtb s VAL 698 Cb 0.34 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 2qtb s VAL 698 CO 0.23 -0.70 0.15 -1.61 -0.31 0.00 0.00 175.10 172.86 2qtb s GLU 699 N -3.91 4.06 -0.06 4.82 2.02 -0.75 -4.99 118.70 119.89 2qtb s GLU 699 Ca 0.17 -0.28 0.04 0.00 0.02 0.00 0.00 54.97 54.92 2qtb s GLU 699 Cb 0.06 -3.51 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 2qtb s GLU 699 CO -0.02 0.08 -0.18 -0.47 0.02 0.00 0.00 175.26 174.69 2qtb s TYR 700 N 1.00 1.83 -0.17 1.61 5.04 -1.26 -1.03 117.35 124.38 2qtb s TYR 700 Ca 0.07 -0.59 0.01 0.00 -2.44 0.00 0.00 57.07 54.12 2qtb s TYR 700 Cb -0.13 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 40.95 2qtb s TYR 700 CO 0.04 -0.22 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.66 2qtb s LEU 701 N 0.18 2.18 -0.17 6.97 2.96 -0.76 -0.03 118.68 130.01 2qtb s LEU 701 Ca -0.08 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2qtb s LEU 701 Cb -0.13 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 2qtb s LEU 701 CO 0.03 0.02 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.79 2qtb s LEU 702 N 1.16 2.89 0.03 -0.68 2.96 0.40 -1.64 118.68 123.79 2qtb s LEU 702 Ca 0.02 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2qtb s LEU 702 Cb -0.14 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2qtb s LEU 702 CO -0.09 0.09 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.25 2qtb s ILE 703 N 0.82 1.18 -0.28 6.68 1.01 -0.64 -1.22 121.20 128.76 2qtb s ILE 703 Ca -0.03 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 2qtb s ILE 703 Cb -0.15 -1.04 0.11 0.00 0.01 0.00 0.00 42.46 41.39 2qtb s ILE 703 CO 0.01 0.11 0.95 -2.28 0.00 0.00 0.00 174.94 173.73 2qtb s HIS 704 N -0.71 -0.56 0.01 3.97 2.46 -0.82 -0.60 115.29 119.03 2qtb s HIS 704 Ca 0.03 1.35 -0.25 0.00 0.47 0.00 0.00 55.06 56.66 2qtb s HIS 704 Cb -0.07 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.68 2qtb s HIS 704 CO 0.01 -0.27 0.79 0.20 -2.47 0.00 0.00 174.74 172.99 2qtb s GLY 705 N 0.37 2.77 0.54 1.59 0.00 -1.26 -1.29 107.32 110.04 2qtb s GLY 705 Ca 0.01 0.29 0.29 0.00 0.00 0.00 0.00 44.72 45.31 2qtb s GLY 705 CO -0.06 1.23 2.11 -0.91 0.00 0.00 0.00 173.10 175.47 2qtb h THR 706 N 4.41 0.50 -0.92 0.90 1.35 -1.32 -2.88 112.91 114.94 2qtb h THR 706 Ca -0.43 -0.42 -0.57 0.00 -0.55 0.00 0.00 66.41 64.44 2qtb h THR 706 Cb 1.21 1.28 -0.29 0.00 -1.73 0.00 0.00 68.15 68.62 2qtb h THR 706 CO 0.73 0.09 0.59 0.00 -0.25 0.00 0.00 175.52 176.67 2qtb n ALA 707 N -2.26 5.83 -2.60 6.62 0.00 -0.76 -4.72 120.51 122.62 2qtb n ALA 707 Ca -0.02 -3.29 -0.43 0.00 0.00 0.00 0.00 53.44 49.70 2qtb n ALA 707 Cb 0.21 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 2qtb n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qtb s ASP 708 N -1.86 6.63 0.10 0.00 -1.08 -1.09 -4.08 116.67 115.29 2qtb s ASP 708 Ca 0.59 0.45 0.25 0.00 -0.52 0.00 0.00 52.55 53.33 2qtb s ASP 708 Cb 0.48 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 40.00 2qtb s ASP 708 CO 0.03 -1.23 1.52 -0.90 0.52 0.00 0.00 175.17 175.11 2qtb n ASP 709 N 7.77 0.60 0.00 -0.34 5.75 -1.26 -3.98 116.55 125.09 2qtb n ASP 709 Ca 0.12 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 2qtb n ASP 709 Cb 0.49 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2qtb n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2qtb n ASN 710 N -1.95 0.00 -4.29 -1.12 2.85 -1.26 -4.75 115.26 104.74 2qtb n ASN 710 Ca 0.05 0.17 -0.45 0.00 -0.11 0.00 0.00 54.58 54.24 2qtb n ASN 710 Cb 0.40 -0.42 -0.05 0.00 1.24 0.00 0.00 39.78 40.95 2qtb n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2qtb s VAL 711 N -0.84 5.05 0.51 3.44 1.01 -1.26 -4.84 120.40 123.48 2qtb s VAL 711 Ca 0.00 -1.60 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 2qtb s VAL 711 Cb 0.00 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 2qtb s VAL 711 CO 0.00 -0.86 1.25 1.41 0.00 0.00 0.00 175.10 176.90 2qtb n HIS 712 N 5.13 1.94 -0.27 5.22 8.25 -1.26 -4.75 115.22 129.49 2qtb n HIS 712 Ca -0.12 0.46 0.28 0.00 -0.26 0.00 0.00 57.72 58.08 2qtb n HIS 712 Cb 0.40 -2.32 0.65 0.00 1.12 0.00 0.00 29.99 29.85 2qtb n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2qtb h PHE 713 N 1.46 0.23 -0.91 4.41 3.57 -1.80 0.35 116.94 124.26 2qtb h PHE 713 Ca -0.49 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.26 2qtb h PHE 713 Cb 1.31 -0.07 -0.16 0.00 2.79 0.00 0.00 35.95 39.82 2qtb h PHE 713 CO 0.45 0.03 0.09 0.37 -2.23 0.00 0.00 178.31 177.01 2qtb h GLN 714 N 0.15 0.08 -0.74 1.11 4.15 -1.94 0.67 115.11 118.59 2qtb h GLN 714 Ca 0.52 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 60.03 2qtb h GLN 714 Cb 1.79 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.39 2qtb h GLN 714 CO -0.10 0.05 0.40 1.96 -1.93 0.00 0.00 178.83 179.21 2qtb h GLN 715 N 0.08 0.66 0.02 1.69 4.20 -1.23 -0.60 115.11 119.92 2qtb h GLN 715 Ca 0.55 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 59.01 2qtb h GLN 715 Cb 1.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2qtb h GLN 715 CO -0.79 0.43 -0.93 0.77 -0.67 0.00 0.00 178.83 177.64 2qtb h SER 716 N 0.68 0.27 -0.15 1.46 0.02 -1.10 -2.95 113.55 111.78 2qtb h SER 716 Ca 0.36 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2qtb h SER 716 Cb 0.34 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2qtb h SER 716 CO -0.25 1.06 0.03 0.00 -1.14 0.00 0.00 176.83 176.53 2qtb h ALA 717 N 0.91 1.61 0.00 3.77 0.00 -0.35 -0.79 119.26 124.42 2qtb h ALA 717 Ca -0.05 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 2qtb h ALA 717 Cb 1.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2qtb h ALA 717 CO 0.14 0.29 -0.87 1.96 0.00 0.00 0.00 179.25 180.78 2qtb h GLN 718 N 0.34 0.00 -0.07 0.00 1.08 -1.10 -2.67 115.11 112.69 2qtb h GLN 718 Ca 0.08 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2qtb h GLN 718 Cb 0.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2qtb h GLN 718 CO 0.00 0.87 -0.04 0.82 -0.95 0.00 0.00 178.83 179.53 2qtb h ILE 719 N 0.00 1.33 -0.71 2.54 2.04 -1.19 -2.34 117.51 119.19 2qtb h ILE 719 Ca -0.01 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 2qtb h ILE 719 Cb 1.53 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 2qtb h ILE 719 CO 0.11 0.29 0.44 0.77 0.00 0.00 0.00 178.15 179.76 2qtb h SER 720 N -0.24 0.85 -0.62 1.72 4.64 -1.23 -2.01 113.55 116.66 2qtb h SER 720 Ca 0.01 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2qtb h SER 720 Cb 0.49 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2qtb h SER 720 CO 0.01 0.66 0.30 0.50 -0.87 0.00 0.00 176.83 177.42 2qtb h LYS 721 N 0.97 0.92 -0.17 4.77 3.64 -1.46 -0.21 116.57 125.03 2qtb h LYS 721 Ca 0.26 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 2qtb h LYS 721 Cb -0.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2qtb h LYS 721 CO -0.05 0.72 -0.48 0.00 -2.27 0.00 0.00 179.45 177.37 2qtb h ALA 722 N 1.41 0.85 -0.25 5.00 0.00 -1.01 -0.46 119.26 124.81 2qtb h ALA 722 Ca 0.22 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2qtb h ALA 722 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qtb h ALA 722 CO -0.03 0.66 -0.51 -0.07 0.00 0.00 0.00 179.25 179.31 2qtb h LEU 723 N 0.36 0.77 -0.35 0.00 3.38 -0.90 -2.85 115.31 115.72 2qtb h LEU 723 Ca 0.02 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 2qtb h LEU 723 Cb 0.97 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2qtb h LEU 723 CO 0.09 1.14 0.10 0.58 0.09 0.00 0.00 178.44 180.43 2qtb h VAL 724 N 0.55 1.22 -0.02 1.22 2.07 -0.92 -0.17 116.25 120.21 2qtb h VAL 724 Ca 0.02 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2qtb h VAL 724 Cb 1.07 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2qtb h VAL 724 CO 0.10 0.25 0.03 0.44 0.02 0.00 0.00 177.57 178.41 2qtb h ASP 725 N 0.41 0.00 -0.39 0.57 3.32 -0.91 -0.99 116.42 118.43 2qtb h ASP 725 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2qtb h ASP 725 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2qtb h ASP 725 CO -0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 2qtb n VAL 726 N -3.56 1.55 -3.05 -1.35 0.24 -1.09 -4.99 118.33 106.08 2qtb n VAL 726 Ca -0.03 -1.30 -0.18 0.00 -2.04 0.00 0.00 64.34 60.79 2qtb n VAL 726 Cb 0.11 0.20 0.04 0.00 -1.47 0.00 0.00 33.84 32.72 2qtb n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qtb n GLY 727 N 0.36 -0.22 3.68 7.63 0.00 -0.38 -4.98 105.19 111.29 2qtb n GLY 727 Ca 0.18 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2qtb n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qtb s VAL 728 N -3.12 5.32 0.35 1.61 1.01 -0.10 -5.03 120.40 120.44 2qtb s VAL 728 Ca 0.32 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 2qtb s VAL 728 Cb -0.14 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2qtb s VAL 728 CO 0.40 0.38 0.82 -0.62 0.00 0.00 0.00 175.10 176.08 2qtb s ASP 729 N 0.80 6.88 0.26 3.32 2.15 -1.26 -4.45 116.67 124.37 2qtb s ASP 729 Ca 0.07 1.46 -0.21 0.00 0.43 0.00 0.00 52.55 54.30 2qtb s ASP 729 Cb -0.13 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.09 2qtb s ASP 729 CO 0.02 -0.23 0.83 0.72 -0.17 0.00 0.00 175.17 176.34 2qtb s PHE 730 N -2.00 -0.08 0.01 -5.34 -0.12 -1.26 -4.77 117.98 104.42 2qtb s PHE 730 Ca 0.56 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 2qtb s PHE 730 Cb -0.11 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 2qtb s PHE 730 CO 0.16 -1.17 0.07 -0.65 -0.05 0.00 0.00 175.22 173.58 2qtb s GLN 731 N -3.24 3.00 0.05 1.99 -1.52 0.96 -5.02 119.66 115.88 2qtb s GLN 731 Ca 0.13 -0.54 -0.04 0.00 -1.95 0.00 0.00 55.36 52.97 2qtb s GLN 731 Cb -0.04 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 29.91 2qtb s GLN 731 CO 0.07 0.63 0.06 0.00 -0.25 0.00 0.00 175.29 175.79 2qtb s ALA 732 N -1.22 0.15 -0.25 6.09 0.00 -1.26 -0.45 121.76 124.82 2qtb s ALA 732 Ca 0.24 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 2qtb s ALA 732 Cb -0.12 0.30 0.09 0.00 0.00 0.00 0.00 23.12 23.39 2qtb s ALA 732 CO 0.15 -0.37 0.59 1.41 0.00 0.00 0.00 175.76 177.53 2qtb s MET 733 N -3.36 0.56 0.08 0.00 1.75 -0.36 -4.93 119.30 113.05 2qtb s MET 733 Ca 0.02 1.17 0.04 0.00 -1.25 0.00 0.00 55.69 55.67 2qtb s MET 733 Cb 0.03 0.32 -0.04 0.00 2.84 0.00 0.00 34.83 37.99 2qtb s MET 733 CO -0.08 -0.18 0.04 1.67 -0.65 0.00 0.00 175.02 175.82 2qtb s TRP 734 N 2.05 3.10 -0.29 4.11 -2.14 -1.26 -1.94 118.94 122.57 2qtb s TRP 734 Ca -0.08 0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.71 2qtb s TRP 734 Cb -0.08 -1.58 0.05 0.00 -3.10 0.00 0.00 33.47 28.76 2qtb s TRP 734 CO -0.17 0.50 -0.04 0.71 -2.66 0.00 0.00 176.95 175.29 2qtb s TYR 735 N -1.35 3.27 0.05 1.66 1.51 -0.41 -4.92 117.35 117.15 2qtb s TYR 735 Ca 0.28 -2.05 -0.32 0.00 -1.01 0.00 0.00 57.07 53.97 2qtb s TYR 735 Cb -0.12 -2.05 -0.11 0.00 -0.11 0.00 0.00 41.96 39.58 2qtb s TYR 735 CO 0.20 -0.83 1.88 2.41 -1.11 0.00 0.00 175.55 178.10 2qtb n THR 736 N 4.55 0.54 -1.00 -0.71 -1.04 -1.26 -1.58 114.28 113.77 2qtb n THR 736 Ca -0.13 -0.10 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2qtb n THR 736 Cb 0.43 -2.10 -0.00 0.00 -1.82 0.00 0.00 70.33 66.83 2qtb n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2qtb n ASP 737 N 6.39 -4.94 -4.85 8.00 8.00 -1.26 -4.91 116.55 122.99 2qtb n ASP 737 Ca 0.20 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.35 2qtb n ASP 737 Cb 0.36 -2.44 -0.06 0.00 -0.02 0.00 0.00 41.12 38.96 2qtb n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qtb s GLU 738 N -1.30 3.96 0.00 -1.24 0.41 -1.06 -4.63 118.70 114.84 2qtb s GLU 738 Ca 0.00 0.47 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 2qtb s GLU 738 Cb 0.00 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2qtb s GLU 738 CO 0.00 0.48 0.00 -0.40 -0.49 0.00 0.00 175.26 174.85 2qtb n ASP 739 N 0.80 0.00 0.31 -0.19 5.68 -1.26 -1.83 116.55 120.06 2qtb n ASP 739 Ca -0.05 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.42 2qtb n ASP 739 Cb 0.52 0.00 1.05 0.00 -1.14 0.00 0.00 41.12 41.54 2qtb n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2qtb h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.91 -2.44 115.15 112.92 2qtb h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2qtb h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2qtb h HIS 740 CO 0.00 0.00 -0.80 0.78 -0.00 0.00 0.00 177.93 177.92 2qtb h GLY 741 N 0.06 0.00 -6.76 5.26 0.00 -1.98 -3.48 103.07 96.17 2qtb h GLY 741 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2qtb h GLY 741 CO 0.00 0.00 -0.82 1.39 0.00 0.00 0.00 176.54 177.11 2qtb n ILE 742 N -2.44 -0.53 0.94 2.60 5.41 -0.92 -4.82 119.36 119.60 2qtb n ILE 742 Ca 0.02 -0.27 0.11 0.00 1.00 0.00 0.00 62.75 63.61 2qtb n ILE 742 Cb 0.50 -0.70 0.08 0.00 -0.71 0.00 0.00 39.64 38.81 2qtb n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qtb n ALA 743 N -3.92 2.59 -1.70 -1.39 0.00 -1.26 -3.50 120.51 111.33 2qtb n ALA 743 Ca -0.14 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.26 2qtb n ALA 743 Cb 0.52 -0.76 0.06 0.00 0.00 0.00 0.00 19.45 19.27 2qtb n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qtb n SER 744 N 1.11 1.87 -0.19 0.00 3.41 -1.26 -4.71 113.62 113.86 2qtb n SER 744 Ca 0.13 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2qtb n SER 744 Cb 0.55 -1.52 0.10 0.00 -0.26 0.00 0.00 64.21 63.08 2qtb n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2qtb h SER 745 N 0.69 -0.17 -0.19 4.04 0.87 -2.00 -0.53 113.55 116.26 2qtb h SER 745 Ca -0.50 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 2qtb h SER 745 Cb 1.34 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2qtb h SER 745 CO 0.53 -0.07 -0.22 0.71 -0.53 0.00 0.00 176.83 177.26 2qtb h THR 746 N 0.16 1.33 -0.75 2.23 1.35 -1.97 -2.72 112.91 112.53 2qtb h THR 746 Ca 0.31 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 2qtb h THR 746 Cb 0.48 1.80 -0.04 0.00 -1.73 0.00 0.00 68.15 68.67 2qtb h THR 746 CO -0.47 0.42 0.42 0.00 -0.25 0.00 0.00 175.52 175.65 2qtb h ALA 747 N 0.63 0.96 -0.02 6.62 0.00 -1.81 -0.49 119.26 125.16 2qtb h ALA 747 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qtb h ALA 747 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2qtb h ALA 747 CO 0.05 0.47 -0.15 1.25 0.00 0.00 0.00 179.25 180.88 2qtb h HIS 748 N 1.04 -0.38 -0.63 0.00 2.76 -1.13 0.17 115.15 116.99 2qtb h HIS 748 Ca 0.27 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2qtb h HIS 748 Cb 0.02 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2qtb h HIS 748 CO -0.00 -0.22 0.35 1.96 -1.30 0.00 0.00 177.93 178.73 2qtb h GLN 749 N -0.23 0.88 -0.46 5.26 4.20 -1.25 -2.61 115.11 120.90 2qtb h GLN 749 Ca 0.06 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2qtb h GLN 749 Cb 0.31 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2qtb h GLN 749 CO -0.16 0.65 0.20 1.25 -0.67 0.00 0.00 178.83 180.11 2qtb h HIS 750 N 0.86 0.68 -0.07 2.96 2.76 -0.49 -1.04 115.15 120.81 2qtb h HIS 750 Ca 0.22 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2qtb h HIS 750 Cb 0.03 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 2qtb h HIS 750 CO -0.01 0.57 0.01 0.97 -1.30 0.00 0.00 177.93 178.17 2qtb h ILE 751 N 0.60 1.21 -0.20 6.26 2.10 -0.58 0.06 117.51 126.97 2qtb h ILE 751 Ca 0.16 -0.65 -0.05 0.00 1.08 0.00 0.00 64.86 65.39 2qtb h ILE 751 Cb 0.16 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.40 2qtb h ILE 751 CO -0.02 0.18 -0.11 1.88 -1.08 0.00 0.00 178.15 179.01 2qtb h TYR 752 N -0.13 0.32 -0.29 2.19 0.05 -1.46 0.20 116.97 117.86 2qtb h TYR 752 Ca 0.02 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2qtb h TYR 752 Cb 0.28 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2qtb h TYR 752 CO 0.02 0.42 -0.06 1.15 -1.05 0.00 0.00 178.16 178.63 2qtb h THR 753 N 0.30 1.28 -0.56 -2.88 2.02 -0.97 -1.24 112.91 110.86 2qtb h THR 753 Ca 0.06 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 2qtb h THR 753 Cb 0.38 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2qtb h THR 753 CO 0.02 0.34 0.09 -0.74 0.37 0.00 0.00 175.52 175.60 2qtb h HIS 754 N 0.31 0.99 -0.28 3.16 -0.00 -0.35 -2.55 115.15 116.43 2qtb h HIS 754 Ca 0.07 -0.14 -0.11 0.00 -0.00 0.00 0.00 60.37 60.20 2qtb h HIS 754 Cb 0.53 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 2qtb h HIS 754 CO 0.05 0.87 -0.27 0.52 -0.00 0.00 0.00 177.93 179.09 2qtb h MET 755 N 0.82 0.56 -0.21 5.26 2.07 -0.60 -2.61 114.93 120.22 2qtb h MET 755 Ca 0.17 -0.23 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 2qtb h MET 755 Cb 0.42 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 2qtb h MET 755 CO 0.01 0.78 0.12 0.77 1.07 0.00 0.00 176.91 179.66 2qtb h SER 756 N 0.49 0.26 -0.68 1.22 0.02 -0.97 -0.67 113.55 113.22 2qtb h SER 756 Ca 0.07 -0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2qtb h SER 756 Cb 0.73 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 2qtb h SER 756 CO 0.06 0.27 0.36 0.45 -1.14 0.00 0.00 176.83 176.83 2qtb h HIS 757 N 0.24 0.66 -0.18 3.45 3.86 -1.37 -0.83 115.15 120.98 2qtb h HIS 757 Ca 0.08 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2qtb h HIS 757 Cb 0.06 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2qtb h HIS 757 CO -0.04 0.29 0.09 0.35 0.86 0.00 0.00 177.93 179.48 2qtb h PHE 758 N 0.66 0.27 -0.11 2.45 3.57 -1.06 -0.48 116.94 122.23 2qtb h PHE 758 Ca 0.31 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2qtb h PHE 758 Cb 0.24 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2qtb h PHE 758 CO -0.09 0.29 0.04 0.82 -2.23 0.00 0.00 178.31 177.14 2qtb h ILE 759 N 0.17 1.17 -0.65 1.41 1.08 -0.86 -0.91 117.51 118.92 2qtb h ILE 759 Ca 0.06 -0.53 0.05 0.00 -0.39 0.00 0.00 64.86 64.06 2qtb h ILE 759 Cb 0.12 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 2qtb h ILE 759 CO -0.01 0.15 0.37 0.11 -0.69 0.00 0.00 178.15 178.09 2qtb h LYS 760 N 0.00 0.68 -0.56 2.37 1.57 -1.09 -0.67 116.57 118.87 2qtb h LYS 760 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qtb h LYS 760 Cb 0.21 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2qtb h LYS 760 CO -0.00 0.45 0.34 0.37 -0.57 0.00 0.00 179.45 180.04 2qtb h GLN 761 N 0.70 0.76 -0.47 3.15 -0.00 -0.93 0.26 115.11 118.58 2qtb h GLN 761 Ca 0.28 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.83 2qtb h GLN 761 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 2qtb h GLN 761 CO -0.16 0.54 0.15 0.00 0.00 0.00 0.00 178.83 179.37 2qtb n PHE 763 N -4.33 0.28 -3.62 0.00 3.72 -0.32 -4.94 117.46 108.24 2qtb n PHE 763 Ca 0.03 -0.14 -0.23 0.00 -0.05 0.00 0.00 57.45 57.06 2qtb n PHE 763 Cb 0.18 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.79 2qtb n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qtb n SER 764 N 0.65 -4.69 -4.62 4.37 7.64 -0.12 -4.99 113.62 111.87 2qtb n SER 764 Ca 0.17 -0.62 -0.36 0.00 1.01 0.00 0.00 58.87 59.07 2qtb n SER 764 Cb 0.41 -4.79 -0.10 0.00 -1.01 0.00 0.00 64.21 58.72 2qtb n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qtb s LEU 765 N -7.04 3.89 0.00 -3.43 1.43 0.73 -5.02 118.68 109.25 2qtb s LEU 765 Ca 0.42 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2qtb s LEU 765 Cb -0.19 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2qtb s LEU 765 CO 0.75 0.10 0.27 -2.65 0.23 0.00 0.00 176.35 175.06