#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 4.38 1.00 -2.82 0.52 -1.26 -5.00 118.95 115.77 2qtb s ARG 40 Ca 0.00 2.14 -0.12 0.00 -0.52 0.00 0.00 55.73 57.23 2qtb s ARG 40 Cb 0.00 -3.12 0.19 0.00 0.52 0.00 0.00 34.95 32.53 2qtb s ARG 40 CO 0.00 -0.20 1.08 -1.59 0.02 0.00 0.00 175.30 174.61 2qtb s LYS 41 N -1.06 0.44 0.51 3.54 -2.85 -1.23 -4.58 119.74 114.51 2qtb s LYS 41 Ca 0.52 0.76 0.07 0.00 -1.00 0.00 0.00 55.97 56.33 2qtb s LYS 41 Cb -0.38 -1.72 0.03 0.00 -2.06 0.00 0.00 37.83 33.70 2qtb s LYS 41 CO 0.46 -2.79 0.47 0.95 0.10 0.00 0.00 175.35 174.54 2qtb s THR 42 N -2.82 2.05 -0.54 3.79 -4.23 -1.26 -0.71 115.64 111.92 2qtb s THR 42 Ca 0.65 -1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 2qtb s THR 42 Cb -0.20 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.28 2qtb s THR 42 CO 0.59 0.00 0.89 -0.47 -0.54 0.00 0.00 174.62 175.09 2qtb s TYR 43 N -2.66 2.84 0.68 3.99 5.04 -1.26 -4.82 117.35 121.16 2qtb s TYR 43 Ca 0.44 -0.07 -0.05 0.00 -2.44 0.00 0.00 57.07 54.95 2qtb s TYR 43 Cb -0.03 -3.98 0.06 0.00 0.35 0.00 0.00 41.96 38.36 2qtb s TYR 43 CO 0.27 -1.29 0.97 0.95 -1.34 0.00 0.00 175.55 175.11 2qtb s THR 44 N 3.73 2.34 0.20 4.34 -4.23 -1.26 -3.98 115.64 116.77 2qtb s THR 44 Ca 0.28 -0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 60.34 2qtb s THR 44 Cb -0.13 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.86 2qtb s THR 44 CO 0.18 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.28 2qtb h LEU 45 N -0.49 1.00 -1.34 4.79 5.85 -1.95 -1.95 115.31 121.22 2qtb h LEU 45 Ca -0.43 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 2qtb h LEU 45 Cb 1.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2qtb h LEU 45 CO 0.57 0.89 -0.02 0.74 -0.34 0.00 0.00 178.44 180.27 2qtb h THR 46 N 1.04 1.18 -0.56 1.05 2.02 -1.97 0.05 112.91 115.72 2qtb h THR 46 Ca 0.25 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2qtb h THR 46 Cb 0.19 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2qtb h THR 46 CO -0.02 0.24 0.30 0.44 0.37 0.00 0.00 175.52 176.84 2qtb h ASP 47 N 0.40 0.70 0.32 4.18 3.45 -1.74 0.78 116.42 124.51 2qtb h ASP 47 Ca 0.09 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 2qtb h ASP 47 Cb 0.30 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 2qtb h ASP 47 CO 0.01 0.60 -0.15 0.22 -1.57 0.00 0.00 179.24 178.35 2qtb h TYR 48 N 0.75 -0.39 -0.03 4.55 3.20 -1.01 0.16 116.97 124.20 2qtb h TYR 48 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2qtb h TYR 48 Cb 0.06 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2qtb h TYR 48 CO -0.01 -0.06 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.15 2qtb h LEU 49 N -0.77 0.04 -0.80 2.82 3.38 -0.91 -2.43 115.31 116.65 2qtb h LEU 49 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qtb h LEU 49 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qtb h LEU 49 CO 0.07 0.27 -0.41 0.29 0.09 0.00 0.00 178.44 178.75 2qtb n LYS 50 N -4.25 1.05 -3.62 1.13 4.76 0.27 -4.98 118.16 112.53 2qtb n LYS 50 Ca -0.02 -0.80 -0.23 0.00 -2.87 0.00 0.00 58.31 54.39 2qtb n LYS 50 Cb 0.29 -1.48 0.07 0.00 -1.84 0.00 0.00 35.03 32.07 2qtb n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qtb n ASN 51 N -0.27 -4.02 0.10 4.39 4.05 0.50 -4.90 115.26 115.11 2qtb n ASN 51 Ca 0.10 -0.65 -0.00 0.00 0.45 0.00 0.00 54.58 54.48 2qtb n ASN 51 Cb 0.42 -4.72 0.29 0.00 1.23 0.00 0.00 39.78 37.00 2qtb n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2qtb h THR 52 N -2.24 1.25 -3.67 -0.44 1.35 -1.62 -3.34 112.91 104.20 2qtb h THR 52 Ca -0.58 -1.21 -0.78 0.00 -0.55 0.00 0.00 66.41 63.29 2qtb h THR 52 Cb 1.36 1.47 -0.26 0.00 -1.73 0.00 0.00 68.15 68.98 2qtb h THR 52 CO 0.56 0.37 0.00 -0.31 -0.25 0.00 0.00 175.52 175.89 2qtb s TYR 53 N -4.40 3.65 0.02 4.73 2.02 -1.26 -5.03 117.35 117.07 2qtb s TYR 53 Ca -0.05 -1.93 -0.28 0.00 -0.37 0.00 0.00 57.07 54.44 2qtb s TYR 53 Cb 0.14 -3.77 -0.04 0.00 -0.40 0.00 0.00 41.96 37.89 2qtb s TYR 53 CO 0.76 -0.98 0.89 0.50 -1.57 0.00 0.00 175.55 175.14 2qtb s ARG 54 N 0.40 4.56 -0.18 -0.62 3.52 -1.26 -5.03 118.95 120.35 2qtb s ARG 54 Ca 0.15 1.28 -0.21 0.00 -0.13 0.00 0.00 55.73 56.82 2qtb s ARG 54 Cb -0.14 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2qtb s ARG 54 CO -0.06 0.09 0.64 -1.17 -0.81 0.00 0.00 175.30 173.99 2qtb s LEU 55 N 0.54 4.17 0.27 -0.88 2.96 -1.26 -4.73 118.68 119.75 2qtb s LEU 55 Ca 0.46 0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 55.17 2qtb s LEU 55 Cb -0.21 -2.92 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 2qtb s LEU 55 CO 0.26 -0.25 0.59 -0.54 -1.32 0.00 0.00 176.35 175.09 2qtb s LYS 56 N 1.76 3.77 0.27 1.98 1.02 -1.26 -5.09 119.74 122.18 2qtb s LYS 56 Ca 0.30 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.60 2qtb s LYS 56 Cb -0.16 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 2qtb s LYS 56 CO 0.11 0.24 0.20 1.47 -0.92 0.00 0.00 175.35 176.45 2qtb n LEU 57 N -0.50 0.00 -3.40 3.17 -0.00 -1.26 -4.89 117.00 110.11 2qtb n LEU 57 Ca 0.00 -2.47 -0.27 0.00 -0.00 0.00 0.00 56.01 53.27 2qtb n LEU 57 Cb 0.53 1.22 -0.11 0.00 -0.00 0.00 0.00 43.42 45.07 2qtb n LEU 57 CO 0.46 -0.41 -0.31 -0.47 -0.00 0.00 0.00 177.39 176.67 2qtb s TYR 58 N -3.01 0.82 -0.37 1.47 6.14 -1.26 -4.99 117.35 116.16 2qtb s TYR 58 Ca 0.29 -1.95 -0.23 0.00 0.64 0.00 0.00 57.07 55.82 2qtb s TYR 58 Cb 0.01 -0.86 0.01 0.00 0.42 0.00 0.00 41.96 41.54 2qtb s TYR 58 CO 0.20 -0.84 0.77 -1.12 0.64 0.00 0.00 175.55 175.20 2qtb s SER 59 N 0.54 6.53 0.33 4.32 0.01 -1.26 -5.04 113.70 119.13 2qtb s SER 59 Ca 0.26 0.31 0.10 0.00 1.31 0.00 0.00 55.95 57.93 2qtb s SER 59 Cb -0.08 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 2qtb s SER 59 CO -0.11 -0.73 -0.08 -1.48 0.41 0.00 0.00 173.24 171.26 2qtb s LEU 60 N 3.07 2.80 -0.16 2.44 0.05 -1.26 -4.60 118.68 121.02 2qtb s LEU 60 Ca 0.31 -1.08 -0.01 0.00 0.05 0.00 0.00 54.13 53.40 2qtb s LEU 60 Cb -0.13 -1.16 0.04 0.00 -2.05 0.00 0.00 46.19 42.89 2qtb s LEU 60 CO 0.17 -0.16 -0.05 -0.13 -0.55 0.00 0.00 176.35 175.63 2qtb s ARG 61 N -3.63 1.38 0.18 1.48 0.52 -0.71 -4.94 118.95 113.24 2qtb s ARG 61 Ca 0.33 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 2qtb s ARG 61 Cb -0.00 -1.92 -0.08 0.00 0.52 0.00 0.00 34.95 33.47 2qtb s ARG 61 CO 0.17 -0.41 1.28 -1.58 0.02 0.00 0.00 175.30 174.77 2qtb s TRP 62 N 1.67 3.31 -0.32 -0.53 0.52 -1.26 -0.23 118.94 122.10 2qtb s TRP 62 Ca 0.01 1.27 0.04 0.00 0.02 0.00 0.00 56.10 57.44 2qtb s TRP 62 Cb -0.15 -3.55 -0.01 0.00 -1.15 0.00 0.00 33.47 28.62 2qtb s TRP 62 CO -0.08 -1.68 0.36 0.44 0.02 0.00 0.00 176.95 176.01 2qtb n ILE 63 N 2.74 0.00 -3.02 2.03 -5.35 -0.29 -4.92 119.36 110.56 2qtb n ILE 63 Ca 0.06 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2qtb n ILE 63 Cb 0.43 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.53 0.00 0.00 7.28 3.41 -1.18 -4.98 113.62 117.63 2qtb n SER 64 Ca 0.01 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.92 2qtb n SER 64 Cb 0.08 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.67 0.00 -0.21 4.04 2.03 -1.26 -2.02 116.55 118.46 2qtb n ASP 65 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2qtb n ASP 65 Cb 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2qtb n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qtb n HIS 66 N -1.39 0.00 -4.15 -0.67 1.44 -1.26 -4.41 115.22 104.79 2qtb n HIS 66 Ca 0.09 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.65 2qtb n HIS 66 Cb 0.25 0.08 -0.13 0.00 0.12 0.00 0.00 29.99 30.31 2qtb n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qtb s GLU 67 N 0.00 0.57 0.03 -1.40 2.02 -1.26 -1.09 118.70 117.57 2qtb s GLU 67 Ca 0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.38 2qtb s GLU 67 Cb 0.00 -0.45 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 2qtb s GLU 67 CO 0.00 0.10 0.05 1.52 0.02 0.00 0.00 175.26 176.95 2qtb s TYR 68 N -0.88 0.25 0.07 1.61 -0.85 -1.00 -1.14 117.35 115.42 2qtb s TYR 68 Ca -0.04 -0.56 -0.05 0.00 -0.52 0.00 0.00 57.07 55.90 2qtb s TYR 68 Cb -0.07 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2qtb s TYR 68 CO 0.00 -0.31 0.31 -0.51 -1.52 0.00 0.00 175.55 173.52 2qtb s LEU 69 N -1.99 4.33 -0.13 -3.49 1.43 0.68 -0.52 118.68 118.98 2qtb s LEU 69 Ca -0.07 0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 2qtb s LEU 69 Cb -0.03 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.24 2qtb s LEU 69 CO -0.04 0.15 0.33 -0.47 0.23 0.00 0.00 176.35 176.56 2qtb s TYR 70 N -1.48 -0.43 -0.26 0.29 5.04 0.33 -1.74 117.35 119.09 2qtb s TYR 70 Ca 0.34 0.99 -0.21 0.00 -2.44 0.00 0.00 57.07 55.76 2qtb s TYR 70 Cb -0.13 0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.31 2qtb s TYR 70 CO 0.22 -0.25 0.64 0.15 -1.34 0.00 0.00 175.55 174.97 2qtb s LYS 71 N 0.87 4.09 -0.04 4.97 1.02 -1.26 0.06 119.74 129.45 2qtb s LYS 71 Ca -0.06 0.55 -0.00 0.00 0.02 0.00 0.00 55.97 56.48 2qtb s LYS 71 Cb -0.07 -3.66 0.03 0.00 -0.52 0.00 0.00 37.83 33.61 2qtb s LYS 71 CO -0.06 -0.43 -0.00 -1.14 -0.92 0.00 0.00 175.35 172.79 2qtb s GLN 72 N 2.53 0.43 -1.42 1.68 0.74 -0.16 -4.78 119.66 118.69 2qtb s GLN 72 Ca 0.26 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.75 2qtb s GLN 72 Cb -0.15 -0.66 0.00 0.00 1.10 0.00 0.00 33.01 33.29 2qtb s GLN 72 CO 0.09 -0.18 0.00 0.39 -0.55 0.00 0.00 175.29 175.03 2qtb n GLU 73 N 4.47 -1.22 -0.91 1.67 1.02 -1.26 -2.23 120.64 122.18 2qtb n GLU 73 Ca -0.19 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2qtb n GLU 73 Cb 0.50 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 2qtb n GLU 73 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2qtb n ASN 74 N -0.90 -1.30 -4.67 1.62 4.05 -1.26 -4.88 115.26 107.93 2qtb n ASN 74 Ca -0.18 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.60 2qtb n ASN 74 Cb 0.61 -0.91 -0.07 0.00 1.23 0.00 0.00 39.78 40.64 2qtb n ASN 74 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qtb s ASN 75 N -2.48 4.75 -0.30 1.20 4.22 -0.95 -4.38 114.94 117.00 2qtb s ASN 75 Ca 0.00 -0.45 -0.18 0.00 -2.14 0.00 0.00 52.86 50.09 2qtb s ASN 75 Cb 0.00 -0.99 -0.02 0.00 1.28 0.00 0.00 41.25 41.52 2qtb s ASN 75 CO 0.00 0.06 0.50 -0.63 -2.04 0.00 0.00 177.10 174.99 2qtb s ILE 76 N -1.89 5.05 0.13 0.54 1.01 -0.42 -0.98 121.20 124.63 2qtb s ILE 76 Ca 0.29 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.58 2qtb s ILE 76 Cb -0.08 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2qtb s ILE 76 CO 0.19 -0.05 0.18 -0.76 0.00 0.00 0.00 174.94 174.51 2qtb s LEU 77 N 2.34 4.05 -0.18 2.97 1.02 0.11 0.59 118.68 129.58 2qtb s LEU 77 Ca 0.20 0.05 -0.00 0.00 0.02 0.00 0.00 54.13 54.39 2qtb s LEU 77 Cb -0.15 -2.66 0.00 0.00 0.02 0.00 0.00 46.19 43.40 2qtb s LEU 77 CO 0.11 0.10 -0.14 0.54 0.02 0.00 0.00 176.35 176.98 2qtb s VAL 78 N -1.64 2.62 0.03 -1.59 0.11 -0.38 -0.51 120.40 119.04 2qtb s VAL 78 Ca 0.32 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 2qtb s VAL 78 Cb -0.11 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 2qtb s VAL 78 CO 0.25 0.50 0.06 -0.36 -3.33 0.00 0.00 175.10 172.23 2qtb s PHE 79 N 1.15 3.19 -0.39 1.54 0.08 0.32 -2.01 117.98 121.86 2qtb s PHE 79 Ca 0.01 0.12 -0.18 0.00 0.12 0.00 0.00 56.93 57.00 2qtb s PHE 79 Cb -0.14 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2qtb s PHE 79 CO -0.05 0.52 0.48 1.21 -0.10 0.00 0.00 175.22 177.27 2qtb s ASN 80 N -1.98 6.25 0.23 1.36 3.84 0.47 -2.37 114.94 122.74 2qtb s ASN 80 Ca 0.25 -0.36 -0.06 0.00 0.21 0.00 0.00 52.86 52.90 2qtb s ASN 80 Cb -0.12 -2.25 0.39 0.00 -0.55 0.00 0.00 41.25 38.72 2qtb s ASN 80 CO 0.16 -0.54 1.76 0.00 -2.79 0.00 0.00 177.10 175.70 2qtb h ALA 81 N 8.63 1.03 -0.81 1.71 0.00 -1.42 0.18 119.26 128.57 2qtb h ALA 81 Ca -0.27 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qtb h ALA 81 Cb 1.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2qtb h ALA 81 CO 0.79 -0.09 0.49 1.49 0.00 0.00 0.00 179.25 181.92 2qtb h GLU 82 N 0.56 1.10 0.00 0.00 4.81 -1.93 -3.33 114.58 115.79 2qtb h GLU 82 Ca 0.38 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2qtb h GLU 82 Cb 0.47 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2qtb h GLU 82 CO -0.31 0.77 -0.51 0.66 -0.73 0.00 0.00 179.01 178.89 2qtb n TYR 83 N -4.38 0.00 -0.34 0.92 4.02 -1.13 -5.02 117.16 111.24 2qtb n TYR 83 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2qtb n TYR 83 Cb 0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 1.45 1.81 3.84 2.72 0.00 0.62 -5.03 105.19 110.60 2qtb n GLY 84 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.37 5.90 0.29 1.61 4.22 -1.25 -4.71 114.94 117.63 2qtb s ASN 85 Ca 0.00 1.56 0.01 0.00 -2.14 0.00 0.00 52.86 52.29 2qtb s ASN 85 Cb 0.00 -2.49 -0.00 0.00 1.28 0.00 0.00 41.25 40.04 2qtb s ASN 85 CO 0.00 -1.09 0.37 -1.54 -2.04 0.00 0.00 177.10 172.80 2qtb n SER 86 N -2.66 -1.00 -3.74 3.54 3.41 -1.26 -0.39 113.62 111.51 2qtb n SER 86 Ca 0.07 -2.65 -0.10 0.00 -0.26 0.00 0.00 58.87 55.93 2qtb n SER 86 Cb 0.54 1.94 -0.05 0.00 -0.26 0.00 0.00 64.21 66.38 2qtb n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qtb s SER 87 N -2.86 -0.15 -0.21 4.04 0.01 -0.85 -4.99 113.70 108.69 2qtb s SER 87 Ca 0.27 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 2qtb s SER 87 Cb -0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2qtb s SER 87 CO 0.19 -0.90 1.08 -0.69 0.41 0.00 0.00 173.24 173.34 2qtb s VAL 88 N -3.86 4.60 -0.13 3.43 1.01 -1.26 -1.25 120.40 122.95 2qtb s VAL 88 Ca 0.07 1.94 -0.18 0.00 0.00 0.00 0.00 61.98 63.81 2qtb s VAL 88 Cb 0.02 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.89 2qtb s VAL 88 CO -0.08 -0.17 0.52 0.15 0.00 0.00 0.00 175.10 175.53 2qtb h PHE 89 N 7.59 0.31 -2.80 5.22 3.04 -0.15 -3.46 116.94 126.69 2qtb h PHE 89 Ca -0.21 -0.23 -0.36 0.00 3.98 0.00 0.00 57.97 61.16 2qtb h PHE 89 Cb 1.07 -0.01 -0.37 0.00 2.56 0.00 0.00 35.95 39.19 2qtb h PHE 89 CO 0.76 1.48 -0.67 -1.17 -2.02 0.00 0.00 178.31 176.69 2qtb s LEU 90 N -7.68 0.04 0.30 0.59 2.96 -0.40 -5.00 118.68 109.49 2qtb s LEU 90 Ca -0.21 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 2qtb s LEU 90 Cb 0.04 0.16 -0.11 0.00 0.50 0.00 0.00 46.19 46.78 2qtb s LEU 90 CO 0.73 -0.32 1.55 -0.70 -1.32 0.00 0.00 176.35 176.29 2qtb s GLU 91 N 2.26 4.15 0.60 1.98 2.56 -1.26 -1.31 118.70 127.68 2qtb s GLU 91 Ca 0.05 2.53 0.28 0.00 0.00 0.00 0.00 54.97 57.83 2qtb s GLU 91 Cb -0.15 -3.03 1.46 0.00 2.00 0.00 0.00 34.13 34.41 2qtb s GLU 91 CO -0.10 -0.58 1.86 -2.95 -0.56 0.00 0.00 175.26 172.94 2qtb h ASN 92 N 4.55 0.00 -0.02 -1.70 7.08 -1.90 0.40 115.58 123.99 2qtb h ASN 92 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2qtb h ASN 92 Cb 1.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 2qtb h ASN 92 CO 0.76 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.57 2qtb n SER 93 N -3.54 1.57 -0.22 6.14 3.41 -1.26 -4.31 113.62 115.41 2qtb n SER 93 Ca 0.07 -1.53 0.19 0.00 -0.26 0.00 0.00 58.87 57.34 2qtb n SER 93 Cb 0.66 -0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.13 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 2.46 0.70 -0.39 6.66 2.02 -1.27 -2.53 112.91 120.55 2qtb h THR 94 Ca 0.00 -0.13 -0.29 0.00 0.77 0.00 0.00 66.41 66.76 2qtb h THR 94 Cb 0.52 0.28 -0.25 0.00 -1.74 0.00 0.00 68.15 66.96 2qtb h THR 94 CO 0.00 0.07 -0.72 0.49 0.37 0.00 0.00 175.52 175.73 2qtb n PHE 95 N -4.49 1.41 0.30 3.16 3.72 -1.26 -4.76 117.46 115.54 2qtb n PHE 95 Ca 0.18 -1.84 0.19 0.00 -0.05 0.00 0.00 57.45 55.93 2qtb n PHE 95 Cb 0.67 -0.29 0.89 0.00 -0.94 0.00 0.00 39.48 39.81 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 1.67 0.00 0.00 4.37 5.19 -1.70 -2.59 116.42 123.35 2qtb h ASP 96 Ca 0.16 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 2qtb h ASP 96 Cb 1.32 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.73 2qtb h ASP 96 CO 0.39 0.00 -0.59 -0.62 -3.12 0.00 0.00 179.24 175.29 2qtb n GLU 97 N -2.91 1.07 0.24 3.56 1.02 -1.26 -4.71 120.64 117.64 2qtb n GLU 97 Ca -0.01 -2.79 0.08 0.00 -0.02 0.00 0.00 57.16 54.42 2qtb n GLU 97 Cb 0.17 -1.13 0.59 0.00 -0.02 0.00 0.00 31.44 31.04 2qtb n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2qtb h PHE 98 N 0.86 0.00 0.00 -0.32 3.57 -1.81 -3.46 116.94 115.78 2qtb h PHE 98 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2qtb h PHE 98 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2qtb h PHE 98 CO 0.50 0.18 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 2qtb n GLY 99 N -0.75 0.74 3.26 2.40 0.00 -1.26 -5.03 105.19 104.54 2qtb n GLY 99 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.64 -0.03 -0.31 1.61 3.76 -1.26 -5.12 115.29 111.30 2qtb s HIS 100 Ca 0.00 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.38 2qtb s HIS 100 Cb 0.00 0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.78 2qtb s HIS 100 CO 0.00 -0.60 0.68 0.45 -0.85 0.00 0.00 174.74 174.41 2qtb s SER 101 N -2.74 6.54 -0.25 1.40 0.15 -1.26 -5.00 113.70 112.54 2qtb s SER 101 Ca 0.03 0.47 -0.29 0.00 0.70 0.00 0.00 55.95 56.86 2qtb s SER 101 Cb 0.03 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2qtb s SER 101 CO -0.11 -0.53 1.35 -0.63 1.20 0.00 0.00 173.24 174.52 2qtb s ILE 102 N 2.72 4.09 0.16 6.45 1.01 -1.26 -4.49 121.20 129.89 2qtb s ILE 102 Ca 0.27 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.23 2qtb s ILE 102 Cb -0.15 -4.03 -0.16 0.00 0.01 0.00 0.00 42.46 38.13 2qtb s ILE 102 CO 0.12 -0.35 1.36 -1.13 0.00 0.00 0.00 174.94 174.94 2qtb h ASN 103 N 9.23 0.13 -5.09 3.58 -1.24 -1.19 -3.49 115.58 117.51 2qtb h ASN 103 Ca -0.28 -0.11 0.21 0.00 0.71 0.00 0.00 56.30 56.83 2qtb h ASN 103 Cb 1.11 -0.04 -0.13 0.00 0.73 0.00 0.00 38.32 39.99 2qtb h ASN 103 CO 1.01 0.97 0.62 -0.62 -1.29 0.00 0.00 177.43 178.12 2qtb s ASP 104 N -6.85 -0.19 0.18 1.15 -1.08 -1.13 -5.03 116.67 103.73 2qtb s ASP 104 Ca -0.01 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2qtb s ASP 104 Cb 0.10 0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 41.85 2qtb s ASP 104 CO 0.82 -0.58 0.07 -0.72 0.52 0.00 0.00 175.17 175.28 2qtb s TYR 105 N -2.90 1.16 -0.25 -5.34 1.13 -1.26 -1.27 117.35 108.62 2qtb s TYR 105 Ca 0.10 -1.20 -0.09 0.00 -1.41 0.00 0.00 57.07 54.47 2qtb s TYR 105 Cb 0.00 -0.64 0.10 0.00 -1.10 0.00 0.00 41.96 40.33 2qtb s TYR 105 CO -0.03 -0.43 0.55 0.45 -2.51 0.00 0.00 175.55 173.58 2qtb s SER 106 N -3.16 -0.74 -0.01 -0.18 0.15 -0.22 -4.95 113.70 104.59 2qtb s SER 106 Ca 0.30 1.30 -0.17 0.00 0.70 0.00 0.00 55.95 58.08 2qtb s SER 106 Cb 0.07 1.73 -0.06 0.00 -1.71 0.00 0.00 66.02 66.06 2qtb s SER 106 CO 0.07 -0.22 0.47 -0.63 1.20 0.00 0.00 173.24 174.12 2qtb s ILE 107 N 2.54 5.00 0.68 6.45 1.09 -1.26 0.11 121.20 135.80 2qtb s ILE 107 Ca -0.05 0.96 -0.16 0.00 -1.10 0.00 0.00 60.65 60.30 2qtb s ILE 107 Cb -0.11 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.52 2qtb s ILE 107 CO -0.16 0.51 1.19 -0.94 -0.10 0.00 0.00 174.94 175.43 2qtb s SER 108 N -0.65 4.62 0.49 3.58 1.04 -0.42 -4.88 113.70 117.47 2qtb s SER 108 Ca 0.26 2.30 0.22 0.00 0.48 0.00 0.00 55.95 59.21 2qtb s SER 108 Cb -0.17 -2.58 1.27 0.00 0.10 0.00 0.00 66.02 64.64 2qtb s SER 108 CO 0.14 -1.98 1.95 -0.65 0.98 0.00 0.00 173.24 173.68 2qtb h PRO 109 N 0.06 0.16 -0.17 4.02 0.11 -1.80 -0.29 132.00 134.09 2qtb h PRO 109 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qtb h PRO 109 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qtb h PRO 109 CO 0.52 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 2qtb n ASP 110 N -4.41 1.41 0.00 -2.05 3.85 -1.11 -4.85 116.55 109.40 2qtb n ASP 110 Ca 0.13 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.48 2qtb n ASP 110 Cb 0.64 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 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 1.04 0.24 0.19 6.12 0.00 -0.12 -4.87 105.19 107.80 2qtb n GLY 111 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 0.60 0.00 -4.31 1.61 4.20 -1.91 -3.46 115.11 111.84 2qtb h GLN 112 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2qtb h GLN 112 Cb 0.42 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.05 2qtb h GLN 112 CO 0.00 0.00 -0.65 -0.06 -0.67 0.00 0.00 178.83 177.45 2qtb s PHE 113 N -3.22 0.67 -0.05 2.96 0.08 -1.26 -2.14 117.98 115.02 2qtb s PHE 113 Ca 0.06 -1.13 0.01 0.00 0.12 0.00 0.00 56.93 55.99 2qtb s PHE 113 Cb 0.06 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 42.12 2qtb s PHE 113 CO 0.68 -0.46 -0.06 -1.50 -0.10 0.00 0.00 175.22 173.79 2qtb s ILE 114 N -3.98 0.63 -0.17 0.64 2.07 -0.46 -1.31 121.20 118.63 2qtb s ILE 114 Ca 0.15 -0.17 -0.21 0.00 -1.41 0.00 0.00 60.65 59.01 2qtb s ILE 114 Cb 0.08 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 2qtb s ILE 114 CO -0.04 0.25 0.62 -0.22 -1.91 0.00 0.00 174.94 173.64 2qtb s LEU 115 N 0.93 4.19 -0.24 8.50 2.96 0.30 -1.21 118.68 134.12 2qtb s LEU 115 Ca -0.11 0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 2qtb s LEU 115 Cb -0.14 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 2qtb s LEU 115 CO 0.00 -0.21 0.03 -0.76 -1.32 0.00 0.00 176.35 174.09 2qtb s LEU 116 N 1.56 3.24 -0.19 -0.68 1.43 0.57 -1.06 118.68 123.57 2qtb s LEU 116 Ca 0.30 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2qtb s LEU 116 Cb -0.16 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2qtb s LEU 116 CO 0.11 -0.02 0.03 -0.70 0.23 0.00 0.00 176.35 176.01 2qtb s GLU 117 N 1.51 3.80 0.34 1.70 2.12 -0.40 -1.23 118.70 126.54 2qtb s GLU 117 Ca 0.06 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.96 2qtb s GLU 117 Cb -0.15 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2qtb s GLU 117 CO 0.01 0.15 0.42 1.52 -0.54 0.00 0.00 175.26 176.82 2qtb s TYR 118 N 0.66 1.29 -1.43 5.30 1.13 -0.24 -0.54 117.35 123.52 2qtb s TYR 118 Ca 0.01 -1.42 -0.10 0.00 -1.41 0.00 0.00 57.07 54.16 2qtb s TYR 118 Cb -0.14 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.48 2qtb s TYR 118 CO 0.02 -1.06 1.04 0.09 -2.51 0.00 0.00 175.55 173.12 2qtb n ASN 119 N -1.48 -5.94 -4.68 -0.18 3.02 -1.26 0.27 115.26 105.00 2qtb n ASN 119 Ca 0.03 -0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 53.61 2qtb n ASN 119 Cb 0.62 -4.71 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 2qtb n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qtb s TYR 120 N -3.28 1.82 -0.29 3.10 5.04 -1.26 -4.20 117.35 118.28 2qtb s TYR 120 Ca 0.56 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 2qtb s TYR 120 Cb -0.26 -4.21 0.09 0.00 0.35 0.00 0.00 41.96 37.93 2qtb s TYR 120 CO 0.69 -5.15 0.04 0.08 -1.34 0.00 0.00 175.55 169.87 2qtb s VAL 121 N 3.37 1.41 0.48 3.14 1.01 0.13 -4.98 120.40 124.96 2qtb s VAL 121 Ca 0.84 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 2qtb s VAL 121 Cb -0.45 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 2qtb s VAL 121 CO 0.38 -0.46 1.39 -0.75 0.00 0.00 0.00 175.10 175.67 2qtb s LYS 122 N 1.38 3.54 0.00 2.72 2.20 -1.26 -0.44 119.74 127.88 2qtb s LYS 122 Ca 0.05 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 2qtb s LYS 122 Cb -0.18 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2qtb s LYS 122 CO -0.14 -0.90 0.00 0.94 -0.36 0.00 0.00 175.35 174.89 2qtb n GLN 123 N -0.44 0.00 0.00 4.03 7.27 -0.21 -4.85 117.38 123.18 2qtb n GLN 123 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2qtb n GLN 123 Cb 0.43 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.08 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 -0.28 3.69 5.03 -1.19 -4.94 117.44 119.75 2qtb n TRP 124 Ca 0.00 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.48 2qtb n TRP 124 Cb 0.00 0.00 0.10 0.00 -1.03 0.00 0.00 31.31 30.38 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 1.15 0.00 -0.99 2.43 -1.99 -3.37 114.38 111.62 2qtb h ARG 125 Ca 0.00 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2qtb h ARG 125 Cb 0.00 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2qtb h ARG 125 CO 0.00 0.91 -1.04 0.72 -1.51 0.00 0.00 179.97 179.05 2qtb n HIS 126 N -4.29 0.00 -2.12 2.20 8.25 -1.26 -5.07 115.22 112.93 2qtb n HIS 126 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 2qtb n HIS 126 Cb 0.16 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.95 5.90 -0.10 0.41 1.04 -1.26 -4.68 113.70 112.05 2qtb s SER 127 Ca -0.00 1.81 -0.32 0.00 0.48 0.00 0.00 55.95 57.92 2qtb s SER 127 Cb 0.00 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.71 2qtb s SER 127 CO 0.03 -1.09 1.06 -0.72 0.98 0.00 0.00 173.24 173.50 2qtb s TYR 128 N -2.42 -0.23 0.25 5.02 -0.85 -1.26 -1.05 117.35 116.81 2qtb s TYR 128 Ca 0.64 0.14 0.10 0.00 -0.52 0.00 0.00 57.07 57.42 2qtb s TYR 128 Cb -0.16 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 2qtb s TYR 128 CO 0.35 -0.36 -0.04 0.95 -1.52 0.00 0.00 175.55 174.93 2qtb s THR 129 N -2.74 3.34 0.15 -3.49 -4.23 0.41 -4.67 115.64 104.41 2qtb s THR 129 Ca 0.07 -1.90 -0.25 0.00 -1.18 0.00 0.00 61.69 58.44 2qtb s THR 129 Cb -0.01 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 71.14 2qtb s THR 129 CO -0.07 -0.32 0.96 0.00 -0.54 0.00 0.00 174.62 174.65 2qtb s ALA 130 N -2.22 -1.66 0.23 3.99 0.00 -1.07 0.17 121.76 121.20 2qtb s ALA 130 Ca 0.30 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.46 2qtb s ALA 130 Cb -0.07 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2qtb s ALA 130 CO 0.19 -1.04 0.22 -1.12 0.00 0.00 0.00 175.76 174.00 2qtb s SER 131 N -2.94 5.69 -0.06 0.00 0.01 0.14 -1.99 113.70 114.55 2qtb s SER 131 Ca 0.12 -0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 2qtb s SER 131 Cb -0.01 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.73 2qtb s SER 131 CO 0.02 -0.02 0.25 -0.31 0.41 0.00 0.00 173.24 173.59 2qtb s TYR 132 N -2.04 -0.19 0.10 2.43 1.51 -1.26 -1.07 117.35 116.83 2qtb s TYR 132 Ca 0.33 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 56.85 2qtb s TYR 132 Cb -0.08 0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.80 2qtb s TYR 132 CO 0.25 -0.24 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.83 2qtb s ASP 133 N -0.57 1.62 -0.10 2.29 1.01 -0.37 -4.47 116.67 116.09 2qtb s ASP 133 Ca -0.07 -0.81 0.02 0.00 0.71 0.00 0.00 52.55 52.40 2qtb s ASP 133 Cb -0.04 -0.02 -0.01 0.00 1.01 0.00 0.00 42.92 43.86 2qtb s ASP 133 CO 0.02 -0.23 -0.18 -0.63 0.21 0.00 0.00 175.17 174.36 2qtb s ILE 134 N -2.35 2.68 -0.17 0.77 1.01 -1.26 -0.31 121.20 121.57 2qtb s ILE 134 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 2qtb s ILE 134 Cb -0.03 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 2qtb s ILE 134 CO 0.01 0.55 -0.06 -0.47 0.00 0.00 0.00 174.94 174.96 2qtb s TYR 135 N 0.09 2.94 -0.48 3.97 5.04 -0.35 -0.01 117.35 128.56 2qtb s TYR 135 Ca -0.08 -0.60 -0.27 0.00 -2.44 0.00 0.00 57.07 53.68 2qtb s TYR 135 Cb -0.15 -1.97 0.03 0.00 0.35 0.00 0.00 41.96 40.21 2qtb s TYR 135 CO 0.05 -0.25 1.05 0.34 -1.34 0.00 0.00 175.55 175.40 2qtb s ASP 136 N 0.72 6.57 0.39 4.32 -1.08 0.14 -1.35 116.67 126.37 2qtb s ASP 136 Ca -0.03 0.30 0.10 0.00 -0.52 0.00 0.00 52.55 52.40 2qtb s ASP 136 Cb -0.15 -2.51 0.79 0.00 -1.46 0.00 0.00 42.92 39.59 2qtb s ASP 136 CO 0.02 -1.18 1.91 -0.07 0.52 0.00 0.00 175.17 176.37 2qtb h LEU 137 N 10.98 0.20 0.06 -1.34 3.38 -1.72 0.29 115.31 127.16 2qtb h LEU 137 Ca -0.24 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2qtb h LEU 137 Cb 1.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2qtb h LEU 137 CO 1.09 0.37 -0.03 0.78 0.09 0.00 0.00 178.44 180.74 2qtb h ASN 138 N 0.20 -0.07 1.32 -0.43 2.35 -1.91 -3.29 115.58 113.76 2qtb h ASN 138 Ca 0.04 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2qtb h ASN 138 Cb 0.40 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2qtb h ASN 138 CO 0.02 0.63 0.00 0.11 -1.65 0.00 0.00 177.43 176.54 2qtb h LYS 139 N -0.88 0.00 -2.64 0.81 1.57 -1.92 -3.46 116.57 110.04 2qtb h LYS 139 Ca -0.01 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.49 2qtb h LYS 139 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.95 2qtb h LYS 139 CO 0.01 0.00 -0.39 0.54 -0.57 0.00 0.00 179.45 179.04 2qtb n ARG 140 N -2.94 -2.29 -4.31 3.15 5.12 0.99 -5.01 116.66 111.37 2qtb n ARG 140 Ca 0.02 0.66 -0.23 0.00 -1.93 0.00 0.00 57.85 56.37 2qtb n ARG 140 Cb 0.37 -4.93 -0.12 0.00 -1.16 0.00 0.00 32.46 26.62 2qtb n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qtb s GLN 141 N -5.03 1.19 -0.13 5.56 -0.21 -1.04 -4.95 119.66 115.05 2qtb s GLN 141 Ca 0.11 -1.27 -0.20 0.00 0.02 0.00 0.00 55.36 54.01 2qtb s GLN 141 Cb -0.05 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.57 2qtb s GLN 141 CO 0.13 0.30 0.58 -1.17 -2.12 0.00 0.00 175.29 173.01 2qtb s LEU 142 N -2.26 4.24 0.16 2.90 2.96 -1.26 0.25 118.68 125.68 2qtb s LEU 142 Ca 0.11 0.91 -0.31 0.00 -0.22 0.00 0.00 54.13 54.62 2qtb s LEU 142 Cb -0.08 -2.85 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 2qtb s LEU 142 CO 0.05 -0.12 1.34 -0.63 -1.32 0.00 0.00 176.35 175.68 2qtb s ILE 143 N 1.09 3.26 -0.58 6.68 1.01 0.98 -4.92 121.20 128.72 2qtb s ILE 143 Ca 0.30 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.97 2qtb s ILE 143 Cb -0.16 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.71 2qtb s ILE 143 CO 0.12 0.11 0.56 0.35 0.00 0.00 0.00 174.94 176.09 2qtb n THR 144 N 3.23 0.00 -4.18 2.92 -2.24 -1.26 -4.58 114.28 108.16 2qtb n THR 144 Ca 0.09 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 2qtb n THR 144 Cb 0.43 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 2qtb n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qtb s GLU 145 N -0.70 2.37 -1.41 -0.78 -1.05 -1.26 -4.63 118.70 111.24 2qtb s GLU 145 Ca 0.05 -1.00 -0.01 0.00 -0.15 0.00 0.00 54.97 53.87 2qtb s GLU 145 Cb 0.04 -2.40 0.01 0.00 -0.44 0.00 0.00 34.13 31.34 2qtb s GLU 145 CO 0.10 0.50 0.46 0.39 0.95 0.00 0.00 175.26 177.65 2qtb n GLU 146 N 0.33 -3.45 -2.49 -4.83 -0.58 -1.26 -4.71 120.64 103.65 2qtb n GLU 146 Ca -0.11 0.42 -0.36 0.00 -0.42 0.00 0.00 57.16 56.69 2qtb n GLU 146 Cb 0.53 -4.61 -0.03 0.00 -0.57 0.00 0.00 31.44 26.76 2qtb n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2qtb s ARG 147 N -6.52 3.96 0.25 3.49 0.52 -1.26 -4.82 118.95 114.57 2qtb s ARG 147 Ca 0.03 1.51 -0.31 0.00 -0.52 0.00 0.00 55.73 56.44 2qtb s ARG 147 Cb -0.02 -2.36 -0.13 0.00 0.52 0.00 0.00 34.95 32.97 2qtb s ARG 147 CO 0.88 -0.32 1.55 -0.89 0.02 0.00 0.00 175.30 176.54 2qtb n ILE 148 N -0.46 0.74 -0.84 1.52 5.41 -1.26 -4.92 119.36 119.54 2qtb n ILE 148 Ca 0.07 -0.18 -0.32 0.00 1.00 0.00 0.00 62.75 63.32 2qtb n ILE 148 Cb 0.50 -1.76 0.15 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.08 1.27 0.54 0.38 0.02 -1.26 -4.65 135.00 131.22 2qtb s PRO 149 Ca 0.69 1.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.12 2qtb s PRO 149 Cb -0.57 -1.75 -0.07 0.00 0.02 0.00 0.00 34.50 32.13 2qtb s PRO 149 CO 0.45 -2.45 1.00 -0.80 -0.33 0.00 0.00 177.00 174.87 2qtb s ASN 150 N -2.61 6.49 -0.83 2.53 0.01 -1.26 -3.77 114.94 115.50 2qtb s ASN 150 Ca 0.68 1.57 -0.02 0.00 -0.71 0.00 0.00 52.86 54.38 2qtb s ASN 150 Cb -0.24 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2qtb s ASN 150 CO 0.56 -0.68 0.22 0.59 -1.51 0.00 0.00 177.10 176.28 2qtb n ASN 151 N -1.79 -3.78 -4.71 -1.22 3.02 -1.17 -4.97 115.26 100.64 2qtb n ASN 151 Ca 0.07 -0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 2qtb n ASN 151 Cb 0.54 -2.78 -0.03 0.00 -0.61 0.00 0.00 39.78 36.90 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 -2.76 4.39 0.13 3.41 2.01 -0.84 -4.62 115.64 117.35 2qtb s THR 152 Ca 0.11 1.74 0.06 0.00 0.31 0.00 0.00 61.69 63.91 2qtb s THR 152 Cb -0.05 -4.12 -0.20 0.00 0.01 0.00 0.00 72.50 68.14 2qtb s THR 152 CO 0.14 0.15 1.29 1.56 -0.69 0.00 0.00 174.62 177.07 2qtb h GLN 153 N 6.64 0.04 -1.76 4.92 4.20 -1.12 -2.85 115.11 125.18 2qtb h GLN 153 Ca -0.42 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.25 2qtb h GLN 153 Cb 1.22 0.02 -0.22 0.00 0.30 0.00 0.00 27.48 28.80 2qtb h GLN 153 CO 0.78 1.00 0.37 -0.46 -0.67 0.00 0.00 178.83 179.84 2qtb s TRP 154 N -2.79 -0.52 -0.09 2.96 -0.11 -1.20 -4.64 118.94 112.55 2qtb s TRP 154 Ca 0.00 0.98 -0.11 0.00 1.22 0.00 0.00 56.10 58.20 2qtb s TRP 154 Cb 0.10 0.41 0.03 0.00 -1.50 0.00 0.00 33.47 32.51 2qtb s TRP 154 CO 0.82 -0.43 0.29 0.08 -4.62 0.00 0.00 176.95 173.09 2qtb s VAL 155 N -0.86 0.01 -0.19 5.86 1.01 -1.26 -0.72 120.40 124.24 2qtb s VAL 155 Ca -0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 2qtb s VAL 155 Cb -0.01 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.98 2qtb s VAL 155 CO 0.04 -0.05 0.49 0.28 0.00 0.00 0.00 175.10 175.86 2qtb s THR 156 N -0.10 -0.00 0.82 3.92 -1.32 -0.59 -5.02 115.64 113.34 2qtb s THR 156 Ca -0.02 0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.36 2qtb s THR 156 Cb -0.03 -0.70 0.08 0.00 -1.51 0.00 0.00 72.50 70.35 2qtb s THR 156 CO 0.01 0.01 1.09 0.26 -2.21 0.00 0.00 174.62 173.78 2qtb s TRP 157 N 0.51 2.67 0.63 9.09 0.52 -1.26 -2.01 118.94 129.08 2qtb s TRP 157 Ca -0.02 1.26 -0.13 0.00 0.02 0.00 0.00 56.10 57.23 2qtb s TRP 157 Cb -0.04 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 2qtb s TRP 157 CO -0.02 -1.92 1.04 -1.54 0.02 0.00 0.00 176.95 174.53 2qtb s SER 158 N -3.68 5.86 0.59 2.95 1.04 -0.26 -4.86 113.70 115.34 2qtb s SER 158 Ca 0.61 1.60 0.35 0.00 0.48 0.00 0.00 55.95 58.99 2qtb s SER 158 Cb -0.16 -2.50 1.87 0.00 0.10 0.00 0.00 66.02 65.34 2qtb s SER 158 CO 0.55 -1.11 2.21 1.55 0.98 0.00 0.00 173.24 177.41 2qtb h PRO 159 N -0.15 0.00 -4.93 4.02 0.13 -1.84 -3.42 132.00 125.81 2qtb h PRO 159 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 2qtb h PRO 159 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2qtb h PRO 159 CO 0.59 0.04 -0.75 0.08 -0.23 0.00 0.00 178.00 177.73 2qtb s VAL 160 N -4.17 0.83 0.00 1.56 1.01 -1.26 -4.77 120.40 113.59 2qtb s VAL 160 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.66 2qtb s VAL 160 Cb 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2qtb s VAL 160 CO 0.51 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2qtb n GLY 161 N 1.19 1.11 2.12 4.51 0.00 -1.26 -4.44 105.19 108.42 2qtb n GLY 161 Ca -0.21 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 12.54 -0.49 -1.59 1.61 1.44 -1.26 -2.75 115.22 124.73 2qtb n HIS 162 Ca 0.00 -1.33 -0.31 0.00 -2.01 0.00 0.00 57.72 54.08 2qtb n HIS 162 Cb 0.00 0.63 0.06 0.00 0.12 0.00 0.00 29.99 30.80 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 -0.82 2.69 0.01 -1.40 1.02 -1.26 -4.58 119.74 115.40 2qtb s LYS 163 Ca 0.15 0.83 0.01 0.00 0.02 0.00 0.00 55.97 56.98 2qtb s LYS 163 Cb 0.30 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.63 2qtb s LYS 163 CO -0.08 -1.24 -0.04 -0.51 -0.92 0.00 0.00 175.35 172.56 2qtb s LEU 164 N -5.60 2.06 -0.03 3.17 1.43 0.12 -1.11 118.68 118.73 2qtb s LEU 164 Ca 0.59 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2qtb s LEU 164 Cb -0.14 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.95 2qtb s LEU 164 CO 0.55 -0.03 -0.12 0.00 0.23 0.00 0.00 176.35 176.97 2qtb s ALA 165 N -0.38 1.14 0.06 4.21 0.00 -0.85 0.40 121.76 126.33 2qtb s ALA 165 Ca -0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2qtb s ALA 165 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2qtb s ALA 165 CO -0.00 0.20 0.10 1.52 0.00 0.00 0.00 175.76 177.58 2qtb s TYR 166 N 0.11 0.26 -0.15 0.00 1.13 0.28 -1.54 117.35 117.45 2qtb s TYR 166 Ca -0.03 -0.68 -0.01 0.00 -1.41 0.00 0.00 57.07 54.94 2qtb s TYR 166 Cb -0.10 -0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 2qtb s TYR 166 CO 0.01 -0.44 -0.12 0.08 -2.51 0.00 0.00 175.55 172.57 2qtb s VAL 167 N -3.46 3.09 -0.04 -3.49 1.01 0.10 -0.31 120.40 117.30 2qtb s VAL 167 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2qtb s VAL 167 Cb 0.04 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2qtb s VAL 167 CO -0.09 0.51 0.07 0.86 0.00 0.00 0.00 175.10 176.45 2qtb s TRP 168 N 0.60 -0.03 -1.46 5.22 -0.00 -0.53 -0.59 118.94 122.16 2qtb s TRP 168 Ca -0.07 0.25 -0.10 0.00 -0.00 0.00 0.00 56.10 56.18 2qtb s TRP 168 Cb -0.15 -0.21 0.05 0.00 -0.00 0.00 0.00 33.47 33.16 2qtb s TRP 168 CO 0.03 -0.12 0.77 0.09 -0.00 0.00 0.00 176.95 177.72 2qtb n ASN 169 N 4.27 -5.07 -0.47 5.86 5.03 -1.26 -2.08 115.26 121.52 2qtb n ASN 169 Ca -0.26 -0.51 -0.06 0.00 0.87 0.00 0.00 54.58 54.62 2qtb n ASN 169 Cb 0.50 -4.09 -0.03 0.00 -1.02 0.00 0.00 39.78 35.15 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 -2.62 -4.47 -4.35 6.41 4.13 -1.26 -4.32 115.26 108.77 2qtb n ASN 170 Ca -0.02 0.15 -0.26 0.00 1.68 0.00 0.00 54.58 56.14 2qtb n ASN 170 Cb 0.56 -2.52 -0.12 0.00 -1.54 0.00 0.00 39.78 36.16 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 -2.48 2.97 0.04 6.41 -0.00 -0.88 -2.48 116.67 120.24 2qtb s ASP 171 Ca 0.00 -0.77 -0.16 0.00 -0.00 0.00 0.00 52.55 51.62 2qtb s ASP 171 Cb 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 42.92 42.67 2qtb s ASP 171 CO 0.00 0.09 0.46 -0.63 -0.00 0.00 0.00 175.17 175.09 2qtb s ILE 172 N -1.38 4.94 0.04 0.77 1.01 -1.26 -1.45 121.20 123.88 2qtb s ILE 172 Ca 0.13 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.73 2qtb s ILE 172 Cb -0.09 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2qtb s ILE 172 CO 0.06 0.53 -0.10 -0.31 0.00 0.00 0.00 174.94 175.12 2qtb s TYR 173 N -1.14 0.91 -0.04 3.97 1.51 0.58 -0.73 117.35 122.42 2qtb s TYR 173 Ca 0.27 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2qtb s TYR 173 Cb -0.17 -0.53 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 2qtb s TYR 173 CO 0.16 -0.01 -0.14 0.08 -1.11 0.00 0.00 175.55 174.52 2qtb s VAL 174 N -1.06 1.17 -0.21 0.71 1.01 -0.50 -0.55 120.40 120.97 2qtb s VAL 174 Ca -0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2qtb s VAL 174 Cb -0.08 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2qtb s VAL 174 CO 0.01 0.35 -0.13 -0.54 0.00 0.00 0.00 175.10 174.79 2qtb s LYS 175 N 0.10 3.07 0.09 2.72 1.02 0.16 -0.30 119.74 126.60 2qtb s LYS 175 Ca -0.03 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 55.02 2qtb s LYS 175 Cb -0.10 -2.78 -0.19 0.00 -0.52 0.00 0.00 37.83 34.23 2qtb s LYS 175 CO 0.01 -0.25 1.24 0.82 -0.92 0.00 0.00 175.35 176.26 2qtb h ILE 176 N 5.92 1.28 -4.28 2.17 1.08 -1.84 0.38 117.51 122.22 2qtb h ILE 176 Ca -0.42 -2.14 -0.53 0.00 -0.39 0.00 0.00 64.86 61.38 2qtb h ILE 176 Cb 1.14 2.22 -0.29 0.00 -3.07 0.00 0.00 36.82 36.81 2qtb h ILE 176 CO 0.61 0.67 -0.83 -1.61 -0.69 0.00 0.00 178.15 176.30 2qtb s GLU 177 N -3.50 1.35 0.51 2.37 0.41 -1.26 -4.26 118.70 114.32 2qtb s GLU 177 Ca -0.10 -0.59 0.30 0.00 -0.41 0.00 0.00 54.97 54.17 2qtb s GLU 177 Cb 0.08 -1.31 1.41 0.00 -1.78 0.00 0.00 34.13 32.53 2qtb s GLU 177 CO 0.91 0.35 1.84 -1.35 -0.49 0.00 0.00 175.26 176.53 2qtb h PRO 178 N 5.75 0.10 -0.02 0.39 0.11 -1.86 -2.05 132.00 134.42 2qtb h PRO 178 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2qtb h PRO 178 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2qtb h PRO 178 CO 0.48 0.06 -0.00 0.27 -0.21 0.00 0.00 178.00 178.61 2qtb n ASN 179 N -4.32 2.62 -4.98 -2.05 6.94 -1.26 -4.86 115.26 107.34 2qtb n ASN 179 Ca 0.22 -1.81 -0.20 0.00 -0.02 0.00 0.00 54.58 52.77 2qtb n ASN 179 Cb 1.01 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.44 2qtb n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qtb s LEU 180 N -1.63 3.71 0.45 -4.53 1.43 -0.77 -4.53 118.68 112.82 2qtb s LEU 180 Ca 0.23 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 53.00 2qtb s LEU 180 Cb 0.16 -2.86 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 2qtb s LEU 180 CO 0.24 -0.68 1.32 -2.84 0.23 0.00 0.00 176.35 174.62 2qtb s PRO 181 N -4.40 3.70 0.61 1.29 0.02 -1.26 -4.84 135.00 130.11 2qtb s PRO 181 Ca 0.50 2.18 -0.08 0.00 0.02 0.00 0.00 61.00 63.62 2qtb s PRO 181 Cb -0.10 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.84 2qtb s PRO 181 CO 0.34 -0.72 0.96 -1.54 -0.33 0.00 0.00 177.00 175.71 2qtb s SER 182 N -0.82 5.68 -0.17 2.53 1.04 -1.26 -4.70 113.70 116.01 2qtb s SER 182 Ca 0.62 0.92 -0.04 0.00 0.48 0.00 0.00 55.95 57.93 2qtb s SER 182 Cb -0.38 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 2qtb s SER 182 CO 0.48 -1.07 -0.02 -0.31 0.98 0.00 0.00 173.24 173.30 2qtb s TYR 183 N -3.09 3.06 0.16 5.02 2.02 0.59 -4.91 117.35 120.19 2qtb s TYR 183 Ca 0.54 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.67 2qtb s TYR 183 Cb -0.11 -1.99 -0.07 0.00 -0.40 0.00 0.00 41.96 39.39 2qtb s TYR 183 CO 0.48 -0.04 0.96 0.50 -1.57 0.00 0.00 175.55 175.87 2qtb s ARG 184 N 0.46 4.75 -0.17 -0.62 3.52 -1.26 -1.40 118.95 124.22 2qtb s ARG 184 Ca -0.02 1.47 0.13 0.00 -0.13 0.00 0.00 55.73 57.18 2qtb s ARG 184 Cb -0.14 -3.34 -0.20 0.00 -1.56 0.00 0.00 34.95 29.71 2qtb s ARG 184 CO 0.02 0.32 0.03 -0.89 -0.81 0.00 0.00 175.30 173.97 2qtb n ILE 185 N 2.33 1.14 -4.10 4.11 2.08 0.09 -4.92 119.36 120.10 2qtb n ILE 185 Ca 0.01 -0.68 -0.15 0.00 0.56 0.00 0.00 62.75 62.49 2qtb n ILE 185 Cb 0.48 -0.63 -0.12 0.00 -0.75 0.00 0.00 39.64 38.63 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 -2.40 0.69 0.00 1.39 -4.23 -1.23 -4.92 115.64 104.93 2qtb s THR 186 Ca -0.10 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2qtb s THR 186 Cb 0.05 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2qtb s THR 186 CO 0.66 -0.31 0.47 0.79 -0.54 0.00 0.00 174.62 175.69 2qtb n TRP 187 N 1.48 0.00 0.84 3.99 8.01 -1.26 -4.51 117.44 125.99 2qtb n TRP 187 Ca -0.22 -0.06 0.13 0.00 -1.31 0.00 0.00 57.50 56.03 2qtb n TRP 187 Cb 0.55 -0.01 0.34 0.00 -2.01 0.00 0.00 31.31 30.18 2qtb n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2qtb n THR 188 N -0.06 0.17 -1.45 -0.99 -2.24 -1.26 -4.96 114.28 103.48 2qtb n THR 188 Ca 0.00 -0.11 -0.54 0.00 -2.27 0.00 0.00 64.05 61.12 2qtb n THR 188 Cb 0.09 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.43 -0.83 3.21 3.38 0.00 -1.26 -4.66 105.19 106.46 2qtb n GLY 189 Ca 0.05 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.38 0.50 -0.28 1.61 2.20 -0.62 -4.89 119.74 117.88 2qtb s LYS 190 Ca 0.80 1.00 -0.44 0.00 -0.36 0.00 0.00 55.97 56.98 2qtb s LYS 190 Cb -1.13 0.38 -0.20 0.00 -1.51 0.00 0.00 37.83 35.37 2qtb s LYS 190 CO 0.56 -0.50 1.37 -1.91 -0.36 0.00 0.00 175.35 174.52 2qtb n GLU 191 N 5.42 0.02 -0.75 4.03 2.13 -1.26 0.32 120.64 130.55 2qtb n GLU 191 Ca -0.05 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2qtb n GLU 191 Cb 0.50 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.70 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 2.94 -2.18 0.04 4.31 8.00 -1.26 -4.71 116.55 123.69 2qtb n ASP 192 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2qtb n ASP 192 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 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 -2.07 0.67 -4.33 0.53 2.08 0.15 -4.70 119.36 111.70 2qtb n ILE 193 Ca 0.00 0.22 -0.34 0.00 0.56 0.00 0.00 62.75 63.19 2qtb n ILE 193 Cb 0.16 -1.24 -0.14 0.00 -0.75 0.00 0.00 39.64 37.67 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 -1.61 3.17 -0.26 1.39 -1.09 0.27 -0.75 121.20 122.33 2qtb s ILE 194 Ca 0.00 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 2qtb s ILE 194 Cb 0.00 -2.39 0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2qtb s ILE 194 CO 0.00 0.48 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.82 2qtb s TYR 195 N 0.90 3.10 -0.23 3.97 1.51 0.36 -1.59 117.35 125.37 2qtb s TYR 195 Ca -0.02 -1.67 -0.06 0.00 -1.01 0.00 0.00 57.07 54.31 2qtb s TYR 195 Cb -0.15 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2qtb s TYR 195 CO 0.00 -0.76 0.01 -0.80 -1.11 0.00 0.00 175.55 172.90 2qtb s ASN 196 N 1.29 4.76 0.00 2.29 0.01 -1.03 -0.55 114.94 121.71 2qtb s ASN 196 Ca -0.01 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2qtb s ASN 196 Cb -0.17 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.65 2qtb s ASN 196 CO -0.04 -0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 2qtb n GLY 197 N 4.73 1.34 3.06 0.66 0.00 -0.23 -4.39 105.19 110.37 2qtb n GLY 197 Ca -0.17 0.00 -0.10 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 -3.67 0.39 0.47 -0.61 -4.36 -1.26 -0.34 121.20 111.82 2qtb s ILE 198 Ca 0.00 -1.33 -0.07 0.00 -0.26 0.00 0.00 60.65 58.99 2qtb s ILE 198 Cb 0.00 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 2qtb s ILE 198 CO 0.00 -0.62 0.80 0.42 0.24 0.00 0.00 174.94 175.78 2qtb s THR 199 N -2.29 4.86 0.47 8.37 -4.23 0.26 -4.70 115.64 118.37 2qtb s THR 199 Ca -0.04 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 2qtb s THR 199 Cb -0.04 -3.83 0.10 0.00 1.34 0.00 0.00 72.50 70.07 2qtb s THR 199 CO -0.03 -0.78 0.64 -0.90 -0.54 0.00 0.00 174.62 173.01 2qtb n ASP 200 N -2.02 0.50 0.04 3.99 5.75 -1.26 -4.76 116.55 118.78 2qtb n ASP 200 Ca 0.02 -1.51 -0.11 0.00 -0.01 0.00 0.00 54.79 53.18 2qtb n ASP 200 Cb 0.55 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.86 -0.51 -0.20 2.11 7.01 -2.00 -1.28 115.95 120.22 2qtb h TRP 201 Ca -0.21 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.68 2qtb h TRP 201 Cb 0.69 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2qtb h TRP 201 CO 0.00 -0.27 -0.41 -0.24 -2.79 0.00 0.00 178.44 174.72 2qtb h VAL 202 N -0.29 1.31 -0.21 2.65 3.04 -1.95 -1.41 116.25 119.39 2qtb h VAL 202 Ca 0.07 -1.58 -0.16 0.00 -1.01 0.00 0.00 66.70 64.03 2qtb h VAL 202 Cb 0.39 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 2qtb h VAL 202 CO -0.21 0.49 -0.52 1.88 -1.01 0.00 0.00 177.57 178.20 2qtb h TYR 203 N 0.40 0.75 0.17 3.17 -1.99 -1.91 -0.06 116.97 117.49 2qtb h TYR 203 Ca 0.03 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 2qtb h TYR 203 Cb 0.89 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2qtb h TYR 203 CO 0.03 1.00 -0.08 1.49 -0.00 0.00 0.00 178.16 180.59 2qtb h GLU 204 N 0.47 -0.22 -0.01 4.88 4.81 -1.02 -0.77 114.58 122.72 2qtb h GLU 204 Ca 0.02 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2qtb h GLU 204 Cb 1.06 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2qtb h GLU 204 CO 0.10 -0.02 -0.08 1.49 -0.73 0.00 0.00 179.01 179.78 2qtb h GLU 205 N -0.40 0.08 0.00 1.92 4.57 -1.24 -1.54 114.58 117.97 2qtb h GLU 205 Ca -0.02 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2qtb h GLU 205 Cb 0.31 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2qtb h GLU 205 CO 0.04 0.73 -1.67 0.39 -1.18 0.00 0.00 179.01 177.33 2qtb n GLU 206 N -4.68 0.64 -0.03 1.92 -0.58 -0.04 -4.45 120.64 113.42 2qtb n GLU 206 Ca -0.09 -0.07 -0.05 0.00 -0.42 0.00 0.00 57.16 56.53 2qtb n GLU 206 Cb 0.38 -1.63 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.45 1.33 0.92 2.62 0.31 -1.04 -4.83 118.33 115.19 2qtb n VAL 207 Ca -0.04 0.23 0.11 0.00 -0.01 0.00 0.00 64.34 64.63 2qtb n VAL 207 Cb 0.60 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 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 -3.97 0.03 -4.03 3.52 3.72 -0.32 -4.96 117.46 111.44 2qtb n PHE 208 Ca -0.09 0.01 -0.32 0.00 -0.05 0.00 0.00 57.45 57.00 2qtb n PHE 208 Cb 0.30 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.58 -3.71 -3.50 4.37 7.64 -0.59 -4.91 113.62 111.34 2qtb n SER 209 Ca 0.04 -0.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.94 2qtb n SER 209 Cb 0.35 -3.38 -0.02 0.00 -1.01 0.00 0.00 64.21 60.15 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 -3.36 -1.80 -0.06 -0.43 0.00 -1.11 -4.97 121.76 110.03 2qtb s ALA 210 Ca 0.62 0.95 0.10 0.00 0.00 0.00 0.00 51.96 53.62 2qtb s ALA 210 Cb -0.32 0.47 -0.24 0.00 0.00 0.00 0.00 23.12 23.03 2qtb s ALA 210 CO 0.87 -0.70 0.61 0.98 0.00 0.00 0.00 175.76 177.52 2qtb n TYR 211 N -0.26 1.02 -2.56 0.00 9.36 -1.26 -4.28 117.16 119.18 2qtb n TYR 211 Ca -0.10 0.34 -0.36 0.00 3.32 0.00 0.00 57.90 61.11 2qtb n TYR 211 Cb 0.62 -1.18 -0.04 0.00 -0.63 0.00 0.00 39.34 38.11 2qtb n TYR 211 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2qtb s SER 212 N -6.22 6.65 -0.31 2.98 1.04 -1.26 -0.57 113.70 116.02 2qtb s SER 212 Ca -0.07 1.98 0.19 0.00 0.48 0.00 0.00 55.95 58.53 2qtb s SER 212 Cb 0.08 -2.58 0.47 0.00 0.10 0.00 0.00 66.02 64.10 2qtb s SER 212 CO 0.82 -0.56 1.00 0.00 0.98 0.00 0.00 173.24 175.47 2qtb n ALA 213 N -0.36 3.23 -2.85 5.32 0.00 0.54 -4.63 120.51 121.75 2qtb n ALA 213 Ca 0.06 -3.05 -0.13 0.00 0.00 0.00 0.00 53.44 50.32 2qtb n ALA 213 Cb 0.51 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 2qtb n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2qtb s LEU 214 N -3.33 2.15 -0.20 0.00 0.05 -1.25 -1.80 118.68 114.30 2qtb s LEU 214 Ca 0.28 -0.34 -0.04 0.00 0.05 0.00 0.00 54.13 54.07 2qtb s LEU 214 Cb 0.42 -0.13 0.07 0.00 -2.05 0.00 0.00 46.19 44.50 2qtb s LEU 214 CO 0.01 -0.12 0.08 0.26 -0.55 0.00 0.00 176.35 176.04 2qtb s TRP 215 N -0.86 0.49 0.44 3.48 0.51 0.58 -4.98 118.94 118.60 2qtb s TRP 215 Ca -0.06 -0.58 -0.24 0.00 -2.12 0.00 0.00 56.10 53.10 2qtb s TRP 215 Cb -0.06 -0.85 -0.08 0.00 -0.81 0.00 0.00 33.47 31.67 2qtb s TRP 215 CO -0.00 -0.59 1.14 -1.58 -0.51 0.00 0.00 176.95 175.41 2qtb s TRP 216 N 2.04 2.99 0.74 -1.98 0.52 -1.26 -1.26 118.94 120.73 2qtb s TRP 216 Ca 0.02 1.56 -0.11 0.00 0.02 0.00 0.00 56.10 57.59 2qtb s TRP 216 Cb -0.16 -3.33 0.04 0.00 -1.15 0.00 0.00 33.47 28.86 2qtb s TRP 216 CO -0.13 -1.29 1.08 -1.54 0.02 0.00 0.00 176.95 175.09 2qtb s SER 217 N -1.36 4.98 0.27 2.95 1.04 -0.38 -4.91 113.70 116.30 2qtb s SER 217 Ca 0.61 1.46 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 2qtb s SER 217 Cb -0.28 -2.28 0.51 0.00 0.10 0.00 0.00 66.02 64.08 2qtb s SER 217 CO 0.34 -1.68 1.58 -0.65 0.98 0.00 0.00 173.24 173.81 2qtb h PRO 218 N -0.88 0.02 -0.45 4.02 0.11 -1.91 -0.43 132.00 132.48 2qtb h PRO 218 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qtb h PRO 218 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qtb h PRO 218 CO 0.58 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 2qtb n ASN 219 N -5.52 3.53 0.00 -2.05 0.23 -1.26 -4.45 115.26 105.74 2qtb n ASN 219 Ca 0.17 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 2qtb n ASN 219 Cb 0.55 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 1.54 0.77 0.06 4.83 0.00 -0.17 -4.66 105.19 107.56 2qtb n GLY 220 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 1.26 -2.91 2.61 2.02 -1.93 -3.45 112.91 110.50 2qtb h THR 221 Ca 0.00 -0.77 -0.62 0.00 0.77 0.00 0.00 66.41 65.79 2qtb h THR 221 Cb 0.00 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2qtb h THR 221 CO 0.00 0.20 -0.50 -0.36 0.37 0.00 0.00 175.52 175.23 2qtb s PHE 222 N -4.93 3.52 -0.21 3.16 0.08 -1.26 -1.17 117.98 117.17 2qtb s PHE 222 Ca -0.15 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.15 2qtb s PHE 222 Cb 0.04 -1.76 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 2qtb s PHE 222 CO 0.68 0.59 -0.05 -1.17 -0.10 0.00 0.00 175.22 175.16 2qtb s LEU 223 N -2.52 2.12 0.22 -0.37 2.96 0.07 -1.24 118.68 119.91 2qtb s LEU 223 Ca 0.35 -0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2qtb s LEU 223 Cb -0.13 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 2qtb s LEU 223 CO 0.28 -0.21 0.43 0.00 -1.32 0.00 0.00 176.35 175.52 2qtb s ALA 224 N 1.51 3.78 0.03 5.97 0.00 -0.39 -1.24 121.76 131.41 2qtb s ALA 224 Ca -0.03 -0.73 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 2qtb s ALA 224 Cb -0.17 -2.08 0.09 0.00 0.00 0.00 0.00 23.12 20.95 2qtb s ALA 224 CO -0.07 0.42 0.77 1.52 0.00 0.00 0.00 175.76 178.40 2qtb s TYR 225 N -1.90 -0.46 0.15 0.00 1.13 0.30 -0.31 117.35 116.27 2qtb s TYR 225 Ca 0.40 0.41 0.04 0.00 -1.41 0.00 0.00 57.07 56.52 2qtb s TYR 225 Cb -0.11 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2qtb s TYR 225 CO 0.29 -0.64 0.14 0.00 -2.51 0.00 0.00 175.55 172.83 2qtb s ALA 226 N -2.89 3.61 -0.10 9.51 0.00 -0.75 -0.80 121.76 130.36 2qtb s ALA 226 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2qtb s ALA 226 Cb -0.01 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2qtb s ALA 226 CO -0.07 0.55 -0.09 -1.14 0.00 0.00 0.00 175.76 175.01 2qtb s GLN 227 N -3.00 1.54 -0.08 0.00 0.74 0.25 -1.07 119.66 118.05 2qtb s GLN 227 Ca 0.31 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.44 2qtb s GLN 227 Cb -0.11 -1.51 -0.03 0.00 1.10 0.00 0.00 33.01 32.47 2qtb s GLN 227 CO 0.24 -0.18 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.66 2qtb s PHE 228 N 1.41 2.94 -0.23 1.67 0.08 0.28 -1.28 117.98 122.85 2qtb s PHE 228 Ca -0.01 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.01 2qtb s PHE 228 Cb -0.13 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2qtb s PHE 228 CO -0.05 0.26 -0.13 1.21 -0.10 0.00 0.00 175.22 176.41 2qtb s ASN 229 N -0.60 4.02 -0.16 1.36 3.84 -0.49 -0.49 114.94 122.41 2qtb s ASN 229 Ca 0.09 -1.16 0.16 0.00 0.21 0.00 0.00 52.86 52.16 2qtb s ASN 229 Cb -0.12 -1.51 0.58 0.00 -0.55 0.00 0.00 41.25 39.65 2qtb s ASN 229 CO 0.02 -0.13 1.48 0.47 -2.79 0.00 0.00 177.10 176.15 2qtb n ASP 230 N 4.50 4.21 -0.34 -4.21 9.92 0.07 -1.56 116.55 129.13 2qtb n ASP 230 Ca -0.16 -2.81 0.16 0.00 -0.53 0.00 0.00 54.79 51.45 2qtb n ASP 230 Cb 0.45 -0.53 0.32 0.00 -0.64 0.00 0.00 41.12 40.71 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 0.01 -0.42 -0.39 -3.53 -1.04 -1.26 -0.90 114.28 106.75 2qtb n THR 231 Ca 0.22 2.18 0.08 0.00 -2.04 0.00 0.00 64.05 64.49 2qtb n THR 231 Cb 0.89 -3.22 0.25 0.00 -1.82 0.00 0.00 70.33 66.43 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 -5.48 2.99 -2.58 -2.82 1.02 -1.26 -4.96 120.64 107.55 2qtb n GLU 232 Ca 0.25 -2.45 -0.42 0.00 -0.02 0.00 0.00 57.16 54.52 2qtb n GLU 232 Cb 0.81 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.32 4.53 0.76 2.62 1.01 -0.08 -4.68 120.40 123.24 2qtb s VAL 233 Ca 0.37 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 64.03 2qtb s VAL 233 Cb 0.22 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.47 2qtb s VAL 233 CO 0.22 -0.02 1.21 -2.65 0.00 0.00 0.00 175.10 173.85 2qtb n PRO 234 N 5.30 0.46 -4.05 2.72 -0.02 -1.26 -4.66 135.00 133.49 2qtb n PRO 234 Ca 0.10 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.45 2qtb n PRO 234 Cb 0.47 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 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 -5.09 4.01 0.00 2.45 1.43 -1.26 -1.30 118.68 118.91 2qtb s LEU 235 Ca 0.76 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 2qtb s LEU 235 Cb -0.32 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 2qtb s LEU 235 CO 0.48 0.34 0.51 -0.51 0.23 0.00 0.00 176.35 177.39 2qtb s ILE 236 N -0.61 4.93 -0.03 -0.59 1.10 -0.42 -4.88 121.20 120.70 2qtb s ILE 236 Ca 0.12 1.06 0.04 0.00 -0.51 0.00 0.00 60.65 61.36 2qtb s ILE 236 Cb -0.12 -3.83 -0.00 0.00 0.15 0.00 0.00 42.46 38.66 2qtb s ILE 236 CO 0.02 0.50 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.59 2qtb s GLU 237 N -0.65 1.47 0.13 3.50 2.02 -1.26 -1.67 118.70 122.24 2qtb s GLU 237 Ca 0.27 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.54 2qtb s GLU 237 Cb -0.18 -1.33 0.05 0.00 0.10 0.00 0.00 34.13 32.78 2qtb s GLU 237 CO 0.15 0.24 0.48 1.52 0.02 0.00 0.00 175.26 177.67 2qtb s TYR 238 N -0.04 -0.34 0.31 1.61 1.13 -0.81 -4.98 117.35 114.23 2qtb s TYR 238 Ca -0.01 0.09 -0.11 0.00 -1.41 0.00 0.00 57.07 55.63 2qtb s TYR 238 Cb -0.09 0.37 -0.08 0.00 -1.10 0.00 0.00 41.96 41.06 2qtb s TYR 238 CO 0.01 -0.75 0.68 -1.12 -2.51 0.00 0.00 175.55 171.86 2qtb s SER 239 N -2.71 6.64 -0.11 -0.18 0.01 -1.26 0.20 113.70 116.29 2qtb s SER 239 Ca 0.01 1.09 -0.00 0.00 1.31 0.00 0.00 55.95 58.36 2qtb s SER 239 Cb 0.01 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.96 2qtb s SER 239 CO -0.11 -0.21 -0.07 0.12 0.41 0.00 0.00 173.24 173.37 2qtb s PHE 240 N -2.04 1.44 -0.05 2.43 5.36 0.17 -4.70 117.98 120.58 2qtb s PHE 240 Ca 0.51 -0.71 0.13 0.00 -0.96 0.00 0.00 56.93 55.89 2qtb s PHE 240 Cb -0.11 -1.21 -0.12 0.00 -0.34 0.00 0.00 43.02 41.25 2qtb s PHE 240 CO 0.23 -0.51 1.07 1.88 -1.46 0.00 0.00 175.22 176.43 2qtb h TYR 241 N 8.19 0.00 -1.58 10.12 -1.99 -1.96 -0.48 116.97 129.27 2qtb h TYR 241 Ca -0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.44 2qtb h TYR 241 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 2qtb h TYR 241 CO 0.47 0.75 0.00 0.45 -0.00 0.00 0.00 178.16 179.83 2qtb n SER 242 N -3.12 -4.73 -4.68 3.88 2.88 -1.26 -4.72 113.62 101.87 2qtb n SER 242 Ca -0.06 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.16 2qtb n SER 242 Cb 0.88 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.49 2qtb n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qtb n ASP 243 N -3.01 0.71 0.13 -3.46 8.00 -1.26 -4.87 116.55 112.79 2qtb n ASP 243 Ca 0.00 0.51 0.17 0.00 0.71 0.00 0.00 54.79 56.19 2qtb n ASP 243 Cb 0.00 -1.49 0.74 0.00 -0.02 0.00 0.00 41.12 40.35 2qtb n ASP 243 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2qtb h GLU 244 N -1.35 0.00 0.00 -1.24 4.81 -2.05 -1.59 114.58 113.15 2qtb h GLU 244 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2qtb h GLU 244 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2qtb h GLU 244 CO 0.44 0.00 -0.10 0.66 -0.73 0.00 0.00 179.01 179.27 2qtb h SER 245 N 0.00 0.00 -2.83 1.04 4.64 -1.93 -3.42 113.55 111.05 2qtb h SER 245 Ca 0.15 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.90 2qtb h SER 245 Cb 0.67 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 2qtb h SER 245 CO -0.00 0.10 1.03 -0.22 -0.87 0.00 0.00 176.83 176.87 2qtb s LEU 246 N -6.69 4.07 0.02 5.97 2.96 -0.60 -4.90 118.68 119.50 2qtb s LEU 246 Ca -0.01 1.71 -0.20 0.00 -0.22 0.00 0.00 54.13 55.41 2qtb s LEU 246 Cb 0.11 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.09 2qtb s LEU 246 CO 0.57 -1.02 1.24 -0.61 -1.32 0.00 0.00 176.35 175.21 2qtb h GLN 247 N 9.53 0.37 -5.33 1.98 4.15 -1.89 -3.43 115.11 120.49 2qtb h GLN 247 Ca -0.32 -0.27 -0.63 0.00 0.77 0.00 0.00 58.65 58.21 2qtb h GLN 247 Cb 1.14 0.04 -0.20 0.00 0.21 0.00 0.00 27.48 28.67 2qtb h GLN 247 CO 0.99 0.88 -0.63 0.71 -1.93 0.00 0.00 178.83 178.84 2qtb s TYR 248 N -3.86 3.10 0.67 3.99 2.02 -1.26 -5.09 117.35 116.91 2qtb s TYR 248 Ca -0.14 -0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.22 2qtb s TYR 248 Cb 0.04 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2qtb s TYR 248 CO 0.78 0.05 1.25 -2.14 -1.57 0.00 0.00 175.55 173.91 2qtb s PRO 249 N 0.30 2.48 -0.03 -1.71 0.02 -1.26 -4.99 135.00 129.80 2qtb s PRO 249 Ca -0.01 1.93 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 2qtb s PRO 249 Cb -0.13 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2qtb s PRO 249 CO 0.02 -1.62 0.29 0.21 -0.33 0.00 0.00 177.00 175.58 2qtb s LYS 250 N -3.54 3.69 -0.38 5.54 2.20 -0.19 -4.91 119.74 122.15 2qtb s LYS 250 Ca 0.79 0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 56.40 2qtb s LYS 250 Cb -0.34 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2qtb s LYS 250 CO 0.40 0.71 0.26 0.99 -0.36 0.00 0.00 175.35 177.35 2qtb s THR 251 N -1.12 5.14 0.04 3.43 2.01 -1.26 0.43 115.64 124.31 2qtb s THR 251 Ca 0.22 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.38 2qtb s THR 251 Cb -0.14 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2qtb s THR 251 CO 0.11 -0.20 0.91 -0.69 -0.69 0.00 0.00 174.62 174.06 2qtb s VAL 252 N 1.67 4.73 -0.15 3.82 1.01 0.13 -4.89 120.40 126.72 2qtb s VAL 252 Ca 0.05 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2qtb s VAL 252 Cb -0.18 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.97 2qtb s VAL 252 CO 0.09 0.26 -0.10 -0.13 0.00 0.00 0.00 175.10 175.22 2qtb s ARG 253 N 0.42 1.91 -0.07 2.72 0.52 -1.26 -1.93 118.95 121.25 2qtb s ARG 253 Ca 0.46 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2qtb s ARG 253 Cb -0.21 -1.98 0.02 0.00 0.52 0.00 0.00 34.95 33.29 2qtb s ARG 253 CO 0.27 -0.30 -0.09 0.08 0.02 0.00 0.00 175.30 175.27 2qtb s VAL 254 N 1.56 0.97 -0.13 3.52 1.01 -0.67 -4.95 120.40 121.71 2qtb s VAL 254 Ca 0.03 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2qtb s VAL 254 Cb -0.14 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 2qtb s VAL 254 CO -0.09 0.33 1.93 -2.84 0.00 0.00 0.00 175.10 174.43 2qtb s PRO 255 N 1.01 3.71 -0.19 2.72 0.02 -1.26 -1.30 135.00 139.71 2qtb s PRO 255 Ca -0.09 2.12 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 2qtb s PRO 255 Cb -0.15 -4.19 0.09 0.00 0.02 0.00 0.00 34.50 30.27 2qtb s PRO 255 CO -0.00 -1.43 0.22 -0.47 -0.33 0.00 0.00 177.00 174.99 2qtb s TYR 256 N 5.91 -0.27 -0.44 6.54 6.14 -0.42 -4.44 117.35 130.38 2qtb s TYR 256 Ca 0.87 0.29 -0.26 0.00 0.64 0.00 0.00 57.07 58.60 2qtb s TYR 256 Cb -0.34 -0.34 0.02 0.00 0.42 0.00 0.00 41.96 41.73 2qtb s TYR 256 CO 0.35 -0.56 0.98 -1.25 0.64 0.00 0.00 175.55 175.72 2qtb s PRO 257 N 2.33 3.68 0.84 4.97 0.04 -1.26 -4.52 135.00 141.07 2qtb s PRO 257 Ca 0.06 0.40 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 2qtb s PRO 257 Cb -0.15 -3.88 0.10 0.00 0.04 0.00 0.00 34.50 30.60 2qtb s PRO 257 CO -0.11 -1.18 1.15 0.15 0.04 0.00 0.00 177.00 177.05 2qtb s LYS 258 N 3.84 1.69 0.04 4.56 1.02 -1.26 -0.49 119.74 129.14 2qtb s LYS 258 Ca 0.40 0.25 -0.36 0.00 0.02 0.00 0.00 55.97 56.28 2qtb s LYS 258 Cb -0.10 -1.91 -0.15 0.00 -0.52 0.00 0.00 37.83 35.15 2qtb s LYS 258 CO 0.25 -1.81 1.54 0.00 -0.92 0.00 0.00 175.35 174.41 2qtb n ALA 259 N -3.49 0.10 -0.98 5.17 0.00 -0.15 -1.38 120.51 119.78 2qtb n ALA 259 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2qtb n ALA 259 Cb 0.60 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 3.27 0.98 3.97 0.00 0.00 -1.26 -4.85 105.19 107.30 2qtb n GLY 260 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.92 3.13 -0.02 4.61 0.00 -0.48 -5.01 121.76 120.07 2qtb s ALA 261 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 2qtb s ALA 261 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 2qtb s ALA 261 CO 0.00 -1.85 1.45 0.08 0.00 0.00 0.00 175.76 175.45 2qtb s VAL 262 N -3.44 3.68 0.46 0.00 1.01 -1.26 -4.91 120.40 115.94 2qtb s VAL 262 Ca 0.69 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2qtb s VAL 262 Cb -0.05 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2qtb s VAL 262 CO 0.48 -0.02 0.74 0.20 0.00 0.00 0.00 175.10 176.49 2qtb s ASN 263 N 2.16 6.17 0.63 3.32 0.01 -1.26 -4.37 114.94 121.60 2qtb s ASN 263 Ca 0.65 0.76 -0.13 0.00 -0.71 0.00 0.00 52.86 53.43 2qtb s ASN 263 Cb -0.32 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2qtb s ASN 263 CO 0.26 -0.58 1.04 -2.16 -1.51 0.00 0.00 177.10 174.16 2qtb s PRO 264 N -4.67 3.30 0.39 -0.60 0.04 -1.26 -4.77 135.00 127.43 2qtb s PRO 264 Ca 0.47 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2qtb s PRO 264 Cb -0.10 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2qtb s PRO 264 CO 0.43 -0.81 0.34 0.95 0.04 0.00 0.00 177.00 177.94 2qtb s THR 265 N -2.83 2.93 0.02 1.26 -4.23 -0.60 -4.91 115.64 107.27 2qtb s THR 265 Ca 0.59 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 2qtb s THR 265 Cb -0.13 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.64 2qtb s THR 265 CO 0.46 -0.06 0.08 0.54 -0.54 0.00 0.00 174.62 175.10 2qtb s VAL 266 N -2.42 0.11 0.05 2.29 0.11 -1.26 -1.40 120.40 117.87 2qtb s VAL 266 Ca 0.45 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2qtb s VAL 266 Cb -0.04 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2qtb s VAL 266 CO 0.27 -0.48 -0.06 -0.54 -3.33 0.00 0.00 175.10 170.96 2qtb s LYS 267 N -1.74 0.57 -0.03 1.54 1.02 -0.40 -4.99 119.74 115.70 2qtb s LYS 267 Ca -0.12 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.02 2qtb s LYS 267 Cb -0.06 -0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.07 2qtb s LYS 267 CO -0.01 0.00 -0.22 0.12 -0.92 0.00 0.00 175.35 174.33 2qtb s PHE 268 N -2.12 2.06 0.07 3.18 5.36 -1.26 -0.58 117.98 124.68 2qtb s PHE 268 Ca -0.05 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2qtb s PHE 268 Cb -0.05 -1.34 -0.04 0.00 -0.34 0.00 0.00 43.02 41.25 2qtb s PHE 268 CO -0.02 -0.11 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.52 2qtb s PHE 269 N -0.32 0.68 -0.05 10.12 0.40 0.02 -1.35 117.98 127.49 2qtb s PHE 269 Ca 0.03 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2qtb s PHE 269 Cb -0.11 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.02 2qtb s PHE 269 CO 0.01 -0.23 -0.02 0.08 0.70 0.00 0.00 175.22 175.76 2qtb s VAL 270 N -3.30 0.39 0.08 -0.44 1.01 0.06 -0.54 120.40 117.66 2qtb s VAL 270 Ca 0.05 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2qtb s VAL 270 Cb 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2qtb s VAL 270 CO -0.06 0.21 -0.24 0.54 0.00 0.00 0.00 175.10 175.55 2qtb s VAL 271 N 1.17 2.38 -0.58 2.92 0.11 -0.38 -0.88 120.40 125.14 2qtb s VAL 271 Ca -0.07 -1.47 -0.20 0.00 -2.93 0.00 0.00 61.98 57.31 2qtb s VAL 271 Cb -0.14 -2.00 0.09 0.00 -1.53 0.00 0.00 36.38 32.80 2qtb s VAL 271 CO -0.02 0.25 0.73 0.21 -3.33 0.00 0.00 175.10 172.95 2qtb s ASN 272 N -1.61 6.19 0.50 3.54 3.04 -1.26 -0.75 114.94 124.58 2qtb s ASN 272 Ca 0.14 -1.24 0.25 0.00 0.04 0.00 0.00 52.86 52.05 2qtb s ASN 272 Cb -0.10 -2.32 1.32 0.00 -1.54 0.00 0.00 41.25 38.61 2qtb s ASN 272 CO 0.05 -1.13 2.03 0.71 -3.04 0.00 0.00 177.10 175.72 2qtb h THR 273 N 5.92 0.64 0.00 -5.21 1.35 -1.46 -2.39 112.91 111.76 2qtb h THR 273 Ca -0.29 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2qtb h THR 273 Cb 1.09 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2qtb h THR 273 CO 1.09 0.15 0.00 0.47 -0.25 0.00 0.00 175.52 176.97 2qtb n ASP 274 N -3.68 0.61 -0.46 5.36 8.00 -1.23 -2.18 116.55 122.97 2qtb n ASP 274 Ca -0.02 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.28 2qtb n ASP 274 Cb 0.27 -0.80 0.11 0.00 -0.02 0.00 0.00 41.12 40.68 2qtb n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2qtb n SER 275 N -2.20 1.82 -0.29 -2.24 3.41 -0.90 -4.53 113.62 108.68 2qtb n SER 275 Ca 0.01 -1.39 0.07 0.00 -0.26 0.00 0.00 58.87 57.31 2qtb n SER 275 Cb 0.18 0.36 0.29 0.00 -0.26 0.00 0.00 64.21 64.77 2qtb n SER 275 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qtb h LEU 276 N 2.25 0.82 -0.78 1.04 3.38 -1.54 -1.10 115.31 119.39 2qtb h LEU 276 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qtb h LEU 276 Cb 0.70 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2qtb h LEU 276 CO 0.00 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 2qtb n SER 277 N -4.53 1.17 -0.00 -0.43 3.41 -1.26 -3.84 113.62 108.13 2qtb n SER 277 Ca 0.15 -1.66 0.04 0.00 -0.26 0.00 0.00 58.87 57.15 2qtb n SER 277 Cb 0.30 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2qtb n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2qtb n SER 278 N 0.00 2.88 -4.22 4.04 7.64 -0.45 -5.01 113.62 118.50 2qtb n SER 278 Ca 0.15 -0.03 -0.21 0.00 1.01 0.00 0.00 58.87 59.79 2qtb n SER 278 Cb 0.24 1.38 -0.12 0.00 -1.01 0.00 0.00 64.21 64.70 2qtb n SER 278 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2qtb s VAL 279 N -2.57 1.38 0.22 0.44 -7.23 -0.97 -5.05 120.40 106.62 2qtb s VAL 279 Ca -0.03 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2qtb s VAL 279 Cb 0.06 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.79 2qtb s VAL 279 CO 0.36 -0.14 1.69 0.71 -0.31 0.00 0.00 175.10 177.41 2qtb h THR 280 N 4.20 1.26 -2.37 5.32 1.35 -1.91 -3.40 112.91 117.36 2qtb h THR 280 Ca -0.43 -1.13 -0.55 0.00 -0.55 0.00 0.00 66.41 63.74 2qtb h THR 280 Cb 1.19 0.91 -0.37 0.00 -1.73 0.00 0.00 68.15 68.14 2qtb h THR 280 CO 0.40 0.40 -0.89 0.21 -0.25 0.00 0.00 175.52 175.39 2qtb s ASN 281 N -6.64 1.91 0.23 5.36 3.84 -1.26 -5.04 114.94 113.35 2qtb s ASN 281 Ca -0.10 -2.55 -0.31 0.00 0.21 0.00 0.00 52.86 50.10 2qtb s ASN 281 Cb 0.14 -0.26 -0.14 0.00 -0.55 0.00 0.00 41.25 40.44 2qtb s ASN 281 CO 0.83 -0.23 1.35 0.00 -2.79 0.00 0.00 177.10 176.27 2qtb n ALA 282 N 3.44 0.77 -2.61 1.71 0.00 -1.26 -4.93 120.51 117.63 2qtb n ALA 282 Ca 0.21 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.64 2qtb n ALA 282 Cb 0.44 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.15 4.60 -0.46 0.00 2.01 -1.26 -5.01 115.64 115.37 2qtb s THR 283 Ca 0.68 1.88 -0.24 0.00 0.31 0.00 0.00 61.69 64.32 2qtb s THR 283 Cb -0.68 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 67.65 2qtb s THR 283 CO 0.51 0.02 0.85 -0.44 -0.69 0.00 0.00 174.62 174.87 2qtb s SER 284 N 1.20 6.44 -0.13 3.53 0.01 -1.26 -4.53 113.70 118.96 2qtb s SER 284 Ca 0.51 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.44 2qtb s SER 284 Cb -0.21 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 2qtb s SER 284 CO 0.21 -0.98 1.04 -0.63 0.41 0.00 0.00 173.24 173.28 2qtb s ILE 285 N 3.50 4.69 0.25 1.44 -1.09 -0.06 -4.80 121.20 125.13 2qtb s ILE 285 Ca 0.33 1.98 -0.16 0.00 -2.23 0.00 0.00 60.65 60.57 2qtb s ILE 285 Cb -0.11 -4.28 -0.08 0.00 -1.58 0.00 0.00 42.46 36.41 2qtb s ILE 285 CO 0.24 -0.04 0.68 -1.58 -1.23 0.00 0.00 174.94 173.01 2qtb s GLN 286 N 2.34 4.06 -0.28 2.79 0.74 -1.26 -0.76 119.66 127.29 2qtb s GLN 286 Ca 0.48 0.66 0.02 0.00 0.05 0.00 0.00 55.36 56.58 2qtb s GLN 286 Cb -0.18 -2.70 0.07 0.00 1.10 0.00 0.00 33.01 31.29 2qtb s GLN 286 CO 0.16 0.32 -0.06 0.42 -0.55 0.00 0.00 175.29 175.57 2qtb s ILE 287 N -1.71 2.33 0.46 -2.34 1.01 -0.46 -4.87 121.20 115.63 2qtb s ILE 287 Ca 0.47 -1.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.16 2qtb s ILE 287 Cb -0.13 -2.44 -0.10 0.00 0.01 0.00 0.00 42.46 39.80 2qtb s ILE 287 CO 0.19 -0.16 1.00 0.42 0.00 0.00 0.00 174.94 176.39 2qtb s THR 288 N 1.09 4.05 0.70 2.92 -4.23 -1.26 -4.29 115.64 114.60 2qtb s THR 288 Ca -0.04 1.28 -0.14 0.00 -1.18 0.00 0.00 61.69 61.60 2qtb s THR 288 Cb -0.20 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2qtb s THR 288 CO -0.05 -0.27 1.13 0.00 -0.54 0.00 0.00 174.62 174.88 2qtb s ALA 289 N -2.06 2.34 0.83 3.99 0.00 -1.26 -5.00 121.76 120.60 2qtb s ALA 289 Ca 0.65 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 2qtb s ALA 289 Cb -0.13 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.73 2qtb s ALA 289 CO 0.17 -1.51 1.12 -1.25 0.00 0.00 0.00 175.76 174.29 2qtb s PRO 290 N -4.19 1.75 0.34 0.00 0.04 -1.26 -4.75 135.00 126.94 2qtb s PRO 290 Ca 0.67 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2qtb s PRO 290 Cb -0.22 -1.83 0.68 0.00 0.04 0.00 0.00 34.50 33.18 2qtb s PRO 290 CO 0.45 -2.05 1.94 0.00 0.04 0.00 0.00 177.00 177.38 2qtb h ALA 291 N -1.37 1.65 0.00 8.56 0.00 -1.99 0.04 119.26 126.16 2qtb h ALA 291 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qtb h ALA 291 Cb 1.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2qtb h ALA 291 CO 0.47 0.22 0.09 0.66 0.00 0.00 0.00 179.25 180.70 2qtb h SER 292 N 0.83 0.00 0.00 0.00 4.64 -2.03 -2.69 113.55 114.30 2qtb h SER 292 Ca 0.34 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.32 2qtb h SER 292 Cb 0.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 2qtb h SER 292 CO -0.12 0.00 -2.25 0.23 -0.87 0.00 0.00 176.83 173.82 2qtb n MET 293 N -3.02 0.86 0.16 4.77 2.00 -0.06 -4.45 117.12 117.37 2qtb n MET 293 Ca -0.03 0.06 0.13 0.00 0.00 0.00 0.00 57.70 57.85 2qtb n MET 293 Cb 0.16 -1.46 0.56 0.00 0.00 0.00 0.00 33.22 32.48 2qtb n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2qtb h LEU 294 N 0.00 0.00 -1.76 4.03 3.38 -1.05 -2.63 115.31 117.28 2qtb h LEU 294 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2qtb h LEU 294 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2qtb h LEU 294 CO -0.02 0.00 0.00 0.16 0.09 0.00 0.00 178.44 178.67 2qtb h ILE 295 N 0.00 0.00 -1.66 1.22 3.07 -1.74 -3.46 117.51 114.94 2qtb h ILE 295 Ca 0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2qtb h ILE 295 Cb 0.28 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 2qtb h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2qtb n GLY 296 N -0.65 2.33 3.76 0.16 0.00 -0.99 -5.14 105.19 104.67 2qtb n GLY 296 Ca -0.01 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2qtb n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qtb s ASP 297 N 0.02 5.98 0.38 1.61 1.01 -1.26 -4.95 116.67 119.46 2qtb s ASP 297 Ca 0.00 2.64 -0.08 0.00 0.71 0.00 0.00 52.55 55.82 2qtb s ASP 297 Cb 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.33 2qtb s ASP 297 CO 0.00 -1.07 0.64 -1.38 0.21 0.00 0.00 175.17 173.57 2qtb s HIS 298 N -1.32 0.65 0.05 4.23 -3.43 -1.26 -1.58 115.29 112.63 2qtb s HIS 298 Ca 0.62 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 2qtb s HIS 298 Cb -0.37 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.12 2qtb s HIS 298 CO 0.47 -1.40 -0.04 0.71 -2.00 0.00 0.00 174.74 172.48 2qtb s TYR 299 N -2.50 0.56 -0.25 0.38 2.02 0.16 -4.79 117.35 112.92 2qtb s TYR 299 Ca 0.23 -0.83 -0.14 0.00 -0.37 0.00 0.00 57.07 55.97 2qtb s TYR 299 Cb -0.03 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.12 2qtb s TYR 299 CO 0.17 -0.24 0.31 -1.17 -1.57 0.00 0.00 175.55 173.05 2qtb s LEU 300 N -2.42 4.07 0.00 -1.29 2.96 -1.26 -1.12 118.68 119.62 2qtb s LEU 300 Ca 0.00 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2qtb s LEU 300 Cb 0.01 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 2qtb s LEU 300 CO -0.05 -0.10 0.42 0.00 -1.32 0.00 0.00 176.35 175.30 2qtb s ASP 302 N -0.84 -0.58 -0.05 0.00 -1.08 -1.13 -4.89 116.67 108.10 2qtb s ASP 302 Ca 0.03 1.10 -0.00 0.00 -0.52 0.00 0.00 52.55 53.17 2qtb s ASP 302 Cb 0.03 1.11 0.03 0.00 -1.46 0.00 0.00 42.92 42.63 2qtb s ASP 302 CO 0.10 -0.21 -0.01 -0.69 0.52 0.00 0.00 175.17 174.88 2qtb s VAL 303 N 0.22 0.38 -0.15 1.11 1.01 -1.26 -0.85 120.40 120.85 2qtb s VAL 303 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2qtb s VAL 303 Cb -0.05 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.92 2qtb s VAL 303 CO -0.02 0.22 0.30 -0.89 0.00 0.00 0.00 175.10 174.71 2qtb s THR 304 N 1.42 -0.47 0.34 3.92 2.01 -0.12 -5.02 115.64 117.73 2qtb s THR 304 Ca -0.04 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 2qtb s THR 304 Cb -0.13 -0.50 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 2qtb s THR 304 CO -0.03 0.10 1.11 0.26 -0.69 0.00 0.00 174.62 175.38 2qtb s TRP 305 N 2.45 3.36 -0.22 4.92 0.52 -1.26 -0.57 118.94 128.13 2qtb s TRP 305 Ca 0.00 1.64 -0.03 0.00 0.02 0.00 0.00 56.10 57.73 2qtb s TRP 305 Cb -0.12 -3.29 -0.12 0.00 -1.15 0.00 0.00 33.47 28.79 2qtb s TRP 305 CO -0.10 -0.81 -0.22 0.00 0.02 0.00 0.00 176.95 175.84 2qtb n ALA 306 N 0.62 1.55 -3.72 0.98 0.00 0.80 -4.87 120.51 115.86 2qtb n ALA 306 Ca 0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 2qtb n ALA 306 Cb 0.46 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.45 0.00 0.31 0.00 -2.24 -0.92 -4.52 114.28 103.45 2qtb n THR 307 Ca -0.40 -1.30 0.17 0.00 -2.27 0.00 0.00 64.05 60.26 2qtb n THR 307 Cb 0.86 0.74 0.99 0.00 -2.10 0.00 0.00 70.33 70.82 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 -0.17 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 2qtb h GLN 308 Cb 0.78 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.08 2qtb h GLN 308 CO 0.23 0.02 -0.57 0.39 -0.95 0.00 0.00 178.83 177.95 2qtb n GLU 309 N -3.54 0.62 -3.70 1.46 1.02 -1.26 -4.86 120.64 110.38 2qtb n GLU 309 Ca -0.03 -2.16 -0.16 0.00 -0.02 0.00 0.00 57.16 54.80 2qtb n GLU 309 Cb 0.11 -0.80 -0.15 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 -1.31 0.05 0.05 3.49 3.52 -1.15 -1.30 118.95 122.30 2qtb s ARG 310 Ca 0.26 0.48 0.07 0.00 -0.13 0.00 0.00 55.73 56.41 2qtb s ARG 310 Cb 0.26 -0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2qtb s ARG 310 CO -0.06 -0.25 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.47 2qtb s ILE 311 N 1.86 1.60 0.01 4.11 2.07 -0.31 -0.14 121.20 130.40 2qtb s ILE 311 Ca -0.02 -1.21 0.07 0.00 -1.41 0.00 0.00 60.65 58.09 2qtb s ILE 311 Cb -0.12 -1.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.04 2qtb s ILE 311 CO -0.06 0.15 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.97 2qtb s SER 312 N -1.25 3.44 0.01 4.50 1.04 0.26 -0.18 113.70 121.52 2qtb s SER 312 Ca 0.07 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.06 2qtb s SER 312 Cb -0.09 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 2qtb s SER 312 CO 0.02 0.29 -0.04 -1.48 0.98 0.00 0.00 173.24 173.01 2qtb s LEU 313 N -1.03 2.08 -0.08 2.42 2.34 -0.50 -0.94 118.68 122.97 2qtb s LEU 313 Ca 0.12 -0.19 0.03 0.00 0.06 0.00 0.00 54.13 54.14 2qtb s LEU 313 Cb -0.10 -0.12 -0.02 0.00 -0.56 0.00 0.00 46.19 45.39 2qtb s LEU 313 CO 0.02 -0.05 -0.16 -1.10 -1.06 0.00 0.00 176.35 174.00 2qtb s GLN 314 N -0.50 2.84 0.15 1.48 -0.21 -0.03 -0.69 119.66 122.70 2qtb s GLN 314 Ca -0.03 -0.73 0.09 0.00 0.02 0.00 0.00 55.36 54.72 2qtb s GLN 314 Cb -0.04 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 2qtb s GLN 314 CO -0.00 0.43 -0.16 -1.58 -2.12 0.00 0.00 175.29 171.86 2qtb s TRP 315 N -0.23 2.54 -0.02 0.91 0.52 0.10 -1.04 118.94 121.71 2qtb s TRP 315 Ca 0.01 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 55.87 2qtb s TRP 315 Cb -0.13 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 2qtb s TRP 315 CO 0.03 0.46 -0.02 -1.17 0.02 0.00 0.00 176.95 176.26 2qtb s LEU 316 N -2.50 1.46 0.53 2.99 2.96 -0.27 -0.74 118.68 123.10 2qtb s LEU 316 Ca 0.21 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.86 2qtb s LEU 316 Cb -0.09 -0.27 -0.07 0.00 0.50 0.00 0.00 46.19 46.26 2qtb s LEU 316 CO 0.12 -0.04 1.11 -0.13 -1.32 0.00 0.00 176.35 176.09 2qtb s ARG 317 N 0.65 3.48 0.43 1.98 0.52 -0.96 0.37 118.95 125.41 2qtb s ARG 317 Ca -0.07 1.56 0.19 0.00 -0.52 0.00 0.00 55.73 56.89 2qtb s ARG 317 Cb -0.10 -2.04 1.12 0.00 0.52 0.00 0.00 34.95 34.44 2qtb s ARG 317 CO -0.01 -0.73 1.84 -0.09 0.02 0.00 0.00 175.30 176.33 2qtb h ARG 318 N 1.32 0.36 -5.55 3.54 2.43 -1.60 -2.74 114.38 112.14 2qtb h ARG 318 Ca -0.50 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.03 2qtb h ARG 318 Cb 1.25 -0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 2qtb h ARG 318 CO 0.58 0.24 0.73 0.42 -1.51 0.00 0.00 179.97 180.43 2qtb s ILE 319 N -5.40 4.28 0.00 1.20 -1.09 -1.26 -4.85 121.20 114.07 2qtb s ILE 319 Ca -0.08 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2qtb s ILE 319 Cb 0.23 -4.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2qtb s ILE 319 CO 0.78 -1.56 0.88 0.00 -1.23 0.00 0.00 174.94 173.81 2qtb n GLN 320 N 7.84 0.40 -0.10 2.79 6.02 -1.03 -3.81 117.38 129.48 2qtb n GLN 320 Ca 0.04 -0.10 0.05 0.00 -0.01 0.00 0.00 57.00 56.99 2qtb n GLN 320 Cb 0.47 -1.44 0.07 0.00 1.02 0.00 0.00 30.24 30.36 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 2.16 1.74 -3.65 1.08 6.94 -1.26 -1.82 115.26 120.45 2qtb n ASN 321 Ca 0.04 -2.45 -0.14 0.00 -0.02 0.00 0.00 54.58 52.01 2qtb n ASN 321 Cb 0.19 -0.24 -0.13 0.00 -2.36 0.00 0.00 39.78 37.25 2qtb n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2qtb s TYR 322 N -1.70 -0.42 0.08 -2.53 6.14 -1.25 -1.43 117.35 116.24 2qtb s TYR 322 Ca 0.16 0.93 0.04 0.00 0.64 0.00 0.00 57.07 58.84 2qtb s TYR 322 Cb 0.14 -0.06 -0.03 0.00 0.42 0.00 0.00 41.96 42.43 2qtb s TYR 322 CO 0.01 -0.38 -0.12 -1.54 0.64 0.00 0.00 175.55 174.17 2qtb s SER 323 N 2.42 1.54 -0.03 4.32 1.04 -0.74 -2.26 113.70 120.00 2qtb s SER 323 Ca 0.02 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2qtb s SER 323 Cb -0.12 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2qtb s SER 323 CO -0.09 -0.16 -0.10 -0.69 0.98 0.00 0.00 173.24 173.17 2qtb s VAL 324 N -1.81 0.88 -0.19 5.02 1.01 0.08 -1.54 120.40 123.86 2qtb s VAL 324 Ca 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2qtb s VAL 324 Cb -0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 2qtb s VAL 324 CO 0.01 0.27 -0.08 -0.32 0.00 0.00 0.00 175.10 174.99 2qtb s MET 325 N 0.13 3.39 -0.02 2.72 1.75 0.54 0.01 119.30 127.82 2qtb s MET 325 Ca -0.03 -0.64 -0.01 0.00 -1.25 0.00 0.00 55.69 53.76 2qtb s MET 325 Cb -0.09 -2.87 -0.04 0.00 2.84 0.00 0.00 34.83 34.68 2qtb s MET 325 CO 0.01 -0.03 0.09 -0.51 -0.65 0.00 0.00 175.02 173.93 2qtb s ASP 326 N 1.02 5.78 -0.20 1.11 1.01 0.13 -0.73 116.67 124.79 2qtb s ASP 326 Ca -0.00 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.46 2qtb s ASP 326 Cb -0.15 -1.69 0.04 0.00 1.01 0.00 0.00 42.92 42.13 2qtb s ASP 326 CO -0.01 0.29 -0.12 -0.63 0.21 0.00 0.00 175.17 174.91 2qtb s ILE 327 N -1.18 1.81 -0.10 0.77 1.01 -1.26 -1.41 121.20 120.84 2qtb s ILE 327 Ca 0.22 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2qtb s ILE 327 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2qtb s ILE 327 CO 0.13 0.22 -0.14 0.00 0.00 0.00 0.00 174.94 175.14 2qtb s ASP 329 N 0.01 5.17 0.11 0.00 1.11 -0.15 -1.17 116.67 121.75 2qtb s ASP 329 Ca -0.04 0.10 -0.30 0.00 0.18 0.00 0.00 52.55 52.49 2qtb s ASP 329 Cb -0.14 -1.42 -0.06 0.00 1.07 0.00 0.00 42.92 42.36 2qtb s ASP 329 CO 0.04 0.36 1.17 -0.47 1.18 0.00 0.00 175.17 177.46 2qtb s TYR 330 N -0.91 3.47 -0.51 4.23 5.04 -0.42 -1.72 117.35 126.53 2qtb s TYR 330 Ca 0.14 1.40 -0.14 0.00 -2.44 0.00 0.00 57.07 56.03 2qtb s TYR 330 Cb -0.11 -3.39 0.12 0.00 0.35 0.00 0.00 41.96 38.93 2qtb s TYR 330 CO 0.04 -1.09 0.44 0.34 -1.34 0.00 0.00 175.55 173.94 2qtb s ASP 331 N 0.62 6.05 0.59 4.32 -1.08 0.17 -4.96 116.67 122.38 2qtb s ASP 331 Ca 0.55 -1.75 0.30 0.00 -0.52 0.00 0.00 52.55 51.12 2qtb s ASP 331 Cb -0.30 -2.15 1.71 0.00 -1.46 0.00 0.00 42.92 40.72 2qtb s ASP 331 CO 0.32 -0.78 2.12 -0.08 0.52 0.00 0.00 175.17 177.27 2qtb h GLU 332 N 8.75 0.00 0.00 4.34 4.81 -1.94 0.55 114.58 131.09 2qtb h GLU 332 Ca -0.27 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.71 2qtb h GLU 332 Cb 1.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2qtb h GLU 332 CO 0.97 0.00 -1.28 0.66 -0.73 0.00 0.00 179.01 178.63 2qtb h SER 333 N 0.00 0.00 0.00 1.04 4.64 -1.96 -3.36 113.55 113.91 2qtb h SER 333 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2qtb h SER 333 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2qtb h SER 333 CO -0.00 0.99 -0.75 -1.54 -0.87 0.00 0.00 176.83 174.66 2qtb n SER 334 N -3.22 0.86 -0.59 4.97 3.41 -0.97 -4.98 113.62 113.09 2qtb n SER 334 Ca -0.07 -0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 57.83 2qtb n SER 334 Cb 0.98 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 66.00 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 1.38 0.92 3.97 5.00 0.00 0.19 -4.99 105.19 111.66 2qtb n GLY 335 Ca 0.01 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.35 2.58 -0.15 1.61 1.81 -1.20 -4.88 118.95 116.36 2qtb s ARG 336 Ca 0.00 -1.48 0.01 0.00 -1.72 0.00 0.00 55.73 52.54 2qtb s ARG 336 Cb 0.00 -2.57 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 2qtb s ARG 336 CO 0.00 -0.42 -0.18 -1.58 -0.68 0.00 0.00 175.30 172.44 2qtb s TRP 337 N -2.50 2.74 -0.07 -0.53 0.52 -1.26 -0.66 118.94 117.18 2qtb s TRP 337 Ca 0.53 -1.12 0.05 0.00 0.02 0.00 0.00 56.10 55.58 2qtb s TRP 337 Cb -0.06 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2qtb s TRP 337 CO 0.32 -0.50 -0.22 -0.80 0.02 0.00 0.00 176.95 175.77 2qtb s ASN 338 N 0.77 2.76 -0.37 2.95 0.02 -0.70 -4.93 114.94 115.45 2qtb s ASN 338 Ca -0.07 -0.47 -0.03 0.00 -1.02 0.00 0.00 52.86 51.27 2qtb s ASN 338 Cb -0.16 -0.97 0.09 0.00 0.02 0.00 0.00 41.25 40.23 2qtb s ASN 338 CO 0.00 0.18 0.13 0.00 0.02 0.00 0.00 177.10 177.43 2qtb s LEU 340 N 1.19 4.36 0.55 0.00 1.43 -1.25 -4.88 118.68 120.08 2qtb s LEU 340 Ca 0.04 2.46 0.24 0.00 -1.03 0.00 0.00 54.13 55.84 2qtb s LEU 340 Cb -0.22 -3.57 1.50 0.00 0.03 0.00 0.00 46.19 43.93 2qtb s LEU 340 CO -0.03 -0.82 2.10 1.62 0.23 0.00 0.00 176.35 179.45 2qtb h VAL 341 N 4.51 0.69 0.00 -1.59 3.04 -1.97 0.31 116.25 121.24 2qtb h VAL 341 Ca -0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2qtb h VAL 341 Cb 1.20 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2qtb h VAL 341 CO 0.91 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.47 2qtb n ALA 342 N -2.47 1.80 -0.15 3.17 0.00 -1.26 -1.58 120.51 120.02 2qtb n ALA 342 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.45 2qtb n ALA 342 Cb 0.32 -1.25 0.15 0.00 0.00 0.00 0.00 19.45 18.68 2qtb n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtb n ARG 343 N -1.35 2.78 -2.98 0.00 1.74 0.11 -4.31 116.66 112.64 2qtb n ARG 343 Ca 0.06 -2.03 -0.40 0.00 -0.77 0.00 0.00 57.85 54.71 2qtb n ARG 343 Cb 0.14 -1.28 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 2qtb n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qtb s GLN 344 N -1.00 4.48 -0.11 5.56 0.74 -0.61 -4.10 119.66 124.62 2qtb s GLN 344 Ca 0.23 1.04 0.03 0.00 0.05 0.00 0.00 55.36 56.71 2qtb s GLN 344 Cb 0.12 -3.39 -0.00 0.00 1.10 0.00 0.00 33.01 30.84 2qtb s GLN 344 CO 0.16 0.20 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.88 2qtb s HIS 345 N 0.26 2.63 -0.13 1.67 3.76 0.09 -4.93 115.29 118.64 2qtb s HIS 345 Ca 0.39 -1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 54.22 2qtb s HIS 345 Cb -0.20 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 2qtb s HIS 345 CO 0.22 -0.41 0.13 0.42 -0.85 0.00 0.00 174.74 174.25 2qtb s ILE 346 N 0.42 5.41 -0.25 0.60 1.01 -1.26 -0.34 121.20 126.79 2qtb s ILE 346 Ca -0.16 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 2qtb s ILE 346 Cb -0.17 -3.37 0.09 0.00 0.01 0.00 0.00 42.46 39.01 2qtb s ILE 346 CO 0.07 0.59 0.11 -0.70 0.00 0.00 0.00 174.94 175.00 2qtb s GLU 347 N -0.77 0.23 0.36 2.79 2.12 -0.59 -5.02 118.70 117.82 2qtb s GLU 347 Ca 0.14 -0.44 0.08 0.00 0.36 0.00 0.00 54.97 55.11 2qtb s GLU 347 Cb -0.12 -1.49 -0.07 0.00 0.26 0.00 0.00 34.13 32.71 2qtb s GLU 347 CO 0.03 -0.89 -0.05 0.00 -0.54 0.00 0.00 175.26 173.81 2qtb s MET 348 N 2.06 1.84 -0.01 4.30 0.23 -1.26 -1.78 119.30 124.66 2qtb s MET 348 Ca 0.06 -1.99 0.03 0.00 -1.03 0.00 0.00 55.69 52.77 2qtb s MET 348 Cb -0.16 -1.60 -0.00 0.00 -1.53 0.00 0.00 34.83 31.54 2qtb s MET 348 CO -0.26 0.05 -0.11 0.45 -2.03 0.00 0.00 175.02 173.12 2qtb s SER 349 N -3.63 1.30 -0.07 -1.18 0.15 -0.51 -4.98 113.70 104.77 2qtb s SER 349 Ca 0.33 -0.20 0.20 0.00 0.70 0.00 0.00 55.95 56.98 2qtb s SER 349 Cb 0.06 -0.21 -0.26 0.00 -1.71 0.00 0.00 66.02 63.89 2qtb s SER 349 CO 0.17 0.11 0.40 0.35 1.20 0.00 0.00 173.24 175.47 2qtb n THR 350 N 2.96 0.72 0.03 6.45 -2.24 -1.26 -4.47 114.28 116.47 2qtb n THR 350 Ca -0.15 -0.66 0.11 0.00 -2.27 0.00 0.00 64.05 61.07 2qtb n THR 350 Cb 0.56 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.55 0.25 0.00 4.28 -2.24 -1.26 -5.06 114.28 107.70 2qtb n THR 351 Ca -0.16 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2qtb n THR 351 Cb 0.83 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.24 2.93 3.49 3.38 0.00 -1.26 -4.84 105.19 110.13 2qtb n GLY 352 Ca -0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.77 -3.96 1.61 2.14 -1.26 -4.65 117.44 108.55 2qtb n TRP 353 Ca 0.00 -1.69 -0.35 0.00 2.07 0.00 0.00 57.50 57.53 2qtb n TRP 353 Cb 0.00 -0.60 -0.11 0.00 -0.81 0.00 0.00 31.31 29.79 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 -2.57 4.60 0.00 -1.67 1.01 -0.75 -4.71 120.40 116.31 2qtb s VAL 354 Ca 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2qtb s VAL 354 Cb -0.04 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2qtb s VAL 354 CO 0.38 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.51 2qtb n GLY 355 N 3.98 -0.45 0.10 4.51 0.00 -1.26 -3.36 105.19 108.71 2qtb n GLY 355 Ca -0.16 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.12 0.00 1.61 3.08 -1.95 -3.40 114.38 113.60 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 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2qtb h ARG 356 CO 0.00 0.38 -0.17 1.19 -1.07 0.00 0.00 179.97 180.30 2qtb n PHE 357 N -4.89 0.00 -3.59 3.04 3.72 -1.26 -4.88 117.46 109.59 2qtb n PHE 357 Ca -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 2qtb n PHE 357 Cb 0.28 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.80 0.33 0.33 -1.08 1.70 -1.26 -5.01 118.95 113.16 2qtb s ARG 358 Ca 0.00 -0.08 -0.28 0.00 -0.47 0.00 0.00 55.73 54.90 2qtb s ARG 358 Cb 0.00 0.15 -0.13 0.00 -0.57 0.00 0.00 34.95 34.41 2qtb s ARG 358 CO 0.00 -0.14 1.26 -2.30 -1.08 0.00 0.00 175.30 173.05 2qtb n PRO 359 N 0.06 2.02 -1.34 3.89 -0.02 -1.21 -4.35 135.00 134.04 2qtb n PRO 359 Ca -0.01 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 2qtb n PRO 359 Cb 0.58 -2.27 0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.29 4.41 0.20 2.55 1.04 -1.26 -4.95 113.70 115.39 2qtb s SER 360 Ca 0.57 2.00 -0.13 0.00 0.48 0.00 0.00 55.95 58.87 2qtb s SER 360 Cb -0.59 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 62.91 2qtb s SER 360 CO 0.61 -2.11 0.58 -1.83 0.98 0.00 0.00 173.24 171.48 2qtb s GLU 361 N -4.50 3.94 0.41 4.02 1.03 -1.26 -4.92 118.70 117.42 2qtb s GLU 361 Ca 0.65 0.46 -0.14 0.00 0.03 0.00 0.00 54.97 55.97 2qtb s GLU 361 Cb -0.20 -2.77 -0.08 0.00 -0.80 0.00 0.00 34.13 30.27 2qtb s GLU 361 CO 0.51 0.38 0.83 -1.25 -1.33 0.00 0.00 175.26 174.39 2qtb s PRO 362 N -2.38 3.93 -0.28 -4.83 0.04 -1.26 -4.60 135.00 125.62 2qtb s PRO 362 Ca 0.43 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.20 2qtb s PRO 362 Cb -0.13 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.16 2qtb s PRO 362 CO 0.20 -0.03 -0.02 -1.01 0.04 0.00 0.00 177.00 176.18 2qtb s HIS 363 N -2.30 2.79 0.34 0.56 3.76 -0.17 -4.95 115.29 115.32 2qtb s HIS 363 Ca 0.55 -2.16 -0.22 0.00 -0.15 0.00 0.00 55.06 53.08 2qtb s HIS 363 Cb -0.10 -1.99 -0.10 0.00 1.11 0.00 0.00 32.58 31.50 2qtb s HIS 363 CO 0.25 -0.85 0.88 -0.06 -0.85 0.00 0.00 174.74 174.11 2qtb s PHE 364 N 1.25 3.52 0.68 1.40 0.40 -1.26 -1.07 117.98 122.91 2qtb s PHE 364 Ca -0.00 1.59 -0.12 0.00 -0.60 0.00 0.00 56.93 57.80 2qtb s PHE 364 Cb -0.19 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.54 2qtb s PHE 364 CO -0.09 0.12 1.06 0.95 0.70 0.00 0.00 175.22 177.96 2qtb s THR 365 N -1.82 3.92 0.27 0.64 -4.23 -0.62 -4.88 115.64 108.92 2qtb s THR 365 Ca 0.53 0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 61.67 2qtb s THR 365 Cb -0.14 -3.36 0.37 0.00 1.34 0.00 0.00 72.50 70.71 2qtb s THR 365 CO 0.19 -0.75 1.59 0.25 -0.54 0.00 0.00 174.62 175.36 2qtb h LEU 366 N -0.46 -0.64 0.00 4.79 5.85 -1.91 0.37 115.31 123.30 2qtb h LEU 366 Ca -0.44 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2qtb h LEU 366 Cb 1.21 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2qtb h LEU 366 CO 0.56 -0.28 0.00 -0.90 -0.34 0.00 0.00 178.44 177.48 2qtb n ASP 367 N -5.50 0.00 -0.86 1.25 5.68 -1.26 -4.89 116.55 110.97 2qtb n ASP 367 Ca 0.16 -0.30 -0.11 0.00 -0.50 0.00 0.00 54.79 54.03 2qtb n ASP 367 Cb 0.52 -0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.52 1.19 0.56 6.12 0.00 0.13 -4.88 105.19 108.82 2qtb n GLY 368 Ca 0.13 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.45 2.05 -3.78 1.61 3.02 -1.26 -4.90 115.26 111.54 2qtb n ASN 369 Ca -0.11 -1.52 -0.10 0.00 -0.03 0.00 0.00 54.58 52.82 2qtb n ASN 369 Cb 0.45 0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.86 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 -2.35 -0.15 0.12 6.41 1.04 -1.26 -1.44 113.70 116.07 2qtb s SER 370 Ca 0.23 -0.56 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 2qtb s SER 370 Cb 0.19 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.86 2qtb s SER 370 CO 0.49 -0.95 0.47 0.72 0.98 0.00 0.00 173.24 174.95 2qtb s PHE 371 N -3.88 -0.33 -0.02 5.02 -0.12 -0.26 -1.59 117.98 116.79 2qtb s PHE 371 Ca 0.10 0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 2qtb s PHE 371 Cb 0.01 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 2qtb s PHE 371 CO -0.04 -0.72 -0.08 0.71 -0.05 0.00 0.00 175.22 175.03 2qtb s TYR 372 N -3.51 2.88 -0.10 3.49 1.51 -0.23 -0.39 117.35 120.99 2qtb s TYR 372 Ca 0.01 -0.03 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 2qtb s TYR 372 Cb 0.01 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.25 2qtb s TYR 372 CO -0.10 0.34 0.35 0.21 -1.11 0.00 0.00 175.55 175.24 2qtb s LYS 373 N -1.15 0.50 -0.11 -0.62 2.20 -0.56 -1.00 119.74 119.01 2qtb s LYS 373 Ca 0.15 0.28 -0.25 0.00 -0.36 0.00 0.00 55.97 55.79 2qtb s LYS 373 Cb -0.11 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 2qtb s LYS 373 CO 0.05 -0.09 0.80 0.42 -0.36 0.00 0.00 175.35 176.16 2qtb s ILE 374 N -0.30 4.94 0.05 5.43 1.01 -1.26 -0.40 121.20 130.68 2qtb s ILE 374 Ca -0.04 1.61 -0.07 0.00 0.00 0.00 0.00 60.65 62.14 2qtb s ILE 374 Cb -0.03 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2qtb s ILE 374 CO 0.02 0.13 0.13 0.27 0.00 0.00 0.00 174.94 175.49 2qtb s ILE 375 N 1.50 0.13 0.00 2.92 -4.36 -0.35 -4.56 121.20 116.49 2qtb s ILE 375 Ca 0.39 -1.11 -0.30 0.00 -0.26 0.00 0.00 60.65 59.37 2qtb s ILE 375 Cb -0.18 -1.04 -0.05 0.00 1.25 0.00 0.00 42.46 42.44 2qtb s ILE 375 CO 0.16 -0.61 1.38 -0.55 0.24 0.00 0.00 174.94 175.56 2qtb s SER 376 N -2.33 6.87 0.94 4.36 0.15 -1.26 -0.94 113.70 121.48 2qtb s SER 376 Ca -0.02 2.10 -0.03 0.00 0.70 0.00 0.00 55.95 58.70 2qtb s SER 376 Cb 0.01 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2qtb s SER 376 CO -0.06 -0.70 0.24 -0.46 1.20 0.00 0.00 173.24 173.46 2qtb n ASN 377 N 5.26 0.04 0.28 5.45 0.23 0.43 -4.84 115.26 122.12 2qtb n ASN 377 Ca 0.13 -1.10 0.14 0.00 -0.53 0.00 0.00 54.58 53.21 2qtb n ASN 377 Cb 0.44 -0.18 0.83 0.00 -2.08 0.00 0.00 39.78 38.78 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 5.08 -1.95 -1.14 114.58 112.73 2qtb h GLU 378 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2qtb h GLU 378 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2qtb h GLU 378 CO 0.06 0.05 -0.20 0.39 -1.00 0.00 0.00 179.01 178.31 2qtb n GLU 379 N -3.79 0.90 -0.40 2.33 1.02 -1.26 -4.94 120.64 114.51 2qtb n GLU 379 Ca -0.02 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 2qtb n GLU 379 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2qtb n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qtb n GLY 380 N 1.31 0.74 3.80 0.62 0.00 -0.43 -4.73 105.19 106.51 2qtb n GLY 380 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.48 3.52 -0.28 1.61 1.51 -1.26 -0.27 117.35 119.70 2qtb s TYR 381 Ca 0.00 0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 56.26 2qtb s TYR 381 Cb 0.00 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2qtb s TYR 381 CO 0.00 0.51 1.13 1.03 -1.11 0.00 0.00 175.55 177.11 2qtb s ARG 382 N -0.34 4.09 0.18 -0.62 0.52 -1.26 -0.43 118.95 121.09 2qtb s ARG 382 Ca 0.13 1.22 0.02 0.00 -0.52 0.00 0.00 55.73 56.58 2qtb s ARG 382 Cb -0.12 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2qtb s ARG 382 CO 0.02 -0.88 0.01 -1.01 0.02 0.00 0.00 175.30 173.47 2qtb s HIS 383 N 3.70 1.24 -0.12 -0.53 3.76 -0.12 -0.95 115.29 122.27 2qtb s HIS 383 Ca 0.48 -1.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.06 2qtb s HIS 383 Cb -0.15 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 2qtb s HIS 383 CO 0.15 -0.23 1.08 0.42 -0.85 0.00 0.00 174.74 175.31 2qtb s ILE 384 N -3.67 4.60 -0.11 0.60 1.01 -1.26 -1.21 121.20 121.16 2qtb s ILE 384 Ca 0.25 1.89 -0.00 0.00 0.00 0.00 0.00 60.65 62.80 2qtb s ILE 384 Cb 0.06 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 2qtb s ILE 384 CO 0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 174.94 174.85 2qtb s TYR 386 N -0.12 3.29 0.01 0.00 5.04 0.12 -1.49 117.35 124.20 2qtb s TYR 386 Ca 0.00 0.29 0.05 0.00 -2.44 0.00 0.00 57.07 54.97 2qtb s TYR 386 Cb -0.13 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 2qtb s TYR 386 CO 0.03 -0.06 -0.11 -0.06 -1.34 0.00 0.00 175.55 174.01 2qtb s PHE 387 N 1.47 2.76 -0.14 4.97 0.08 0.47 -1.05 117.98 126.54 2qtb s PHE 387 Ca 0.10 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.93 2qtb s PHE 387 Cb -0.15 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2qtb s PHE 387 CO 0.08 0.32 0.21 -1.14 -0.10 0.00 0.00 175.22 174.59 2qtb s GLN 388 N -1.39 3.96 0.65 0.44 2.00 -1.26 -1.11 119.66 122.95 2qtb s GLN 388 Ca 0.16 -0.04 0.38 0.00 -2.00 0.00 0.00 55.36 53.86 2qtb s GLN 388 Cb -0.11 -3.33 2.12 0.00 0.80 0.00 0.00 33.01 32.49 2qtb s GLN 388 CO 0.06 0.47 2.24 -0.84 -0.50 0.00 0.00 175.29 176.73 2qtb h ILE 389 N 4.37 0.13 -0.15 -2.34 3.07 -1.59 -2.50 117.51 118.50 2qtb h ILE 389 Ca -0.46 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 65.88 2qtb h ILE 389 Cb 1.19 0.92 -0.04 0.00 -0.27 0.00 0.00 36.82 38.62 2qtb h ILE 389 CO 0.69 0.00 -0.23 -0.90 -1.05 0.00 0.00 178.15 176.66 2qtb n ASP 390 N -3.24 2.26 -3.94 2.16 5.75 -1.26 -4.26 116.55 114.02 2qtb n ASP 390 Ca -0.02 -3.66 -0.21 0.00 -0.01 0.00 0.00 54.79 50.89 2qtb n ASP 390 Cb 0.16 -0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 39.54 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 -3.15 1.00 0.12 0.11 1.02 -0.94 -4.85 119.74 113.04 2qtb s LYS 391 Ca 0.40 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.17 2qtb s LYS 391 Cb 0.37 -0.93 -0.14 0.00 -0.52 0.00 0.00 37.83 36.60 2qtb s LYS 391 CO -0.02 -0.01 1.27 0.87 -0.92 0.00 0.00 175.35 176.54 2qtb h LYS 392 N 6.91 0.26 -6.53 1.68 1.79 -1.89 -3.39 116.57 115.40 2qtb h LYS 392 Ca -0.36 -0.34 -0.52 0.00 -2.18 0.00 0.00 60.65 57.25 2qtb h LYS 392 Cb 1.16 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 2qtb h LYS 392 CO 0.48 1.09 0.32 -0.51 -1.08 0.00 0.00 179.45 179.74 2qtb s ASP 393 N -7.02 7.45 0.43 0.86 1.01 -1.26 -4.99 116.67 113.14 2qtb s ASP 393 Ca -0.04 1.73 0.07 0.00 0.71 0.00 0.00 52.55 55.03 2qtb s ASP 393 Cb 0.09 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 2qtb s ASP 393 CO 0.86 -0.03 0.31 0.00 0.21 0.00 0.00 175.17 176.52 2qtb s THR 395 N -2.55 2.20 0.15 0.00 2.01 -0.22 -4.89 115.64 112.35 2qtb s THR 395 Ca 0.44 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2qtb s THR 395 Cb -0.01 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 2qtb s THR 395 CO 0.25 0.53 1.21 -0.36 -0.69 0.00 0.00 174.62 175.57 2qtb s PHE 396 N 1.21 3.42 -1.51 4.92 0.08 -1.26 0.14 117.98 124.97 2qtb s PHE 396 Ca 0.03 1.36 0.16 0.00 0.12 0.00 0.00 56.93 58.60 2qtb s PHE 396 Cb -0.14 -3.45 0.01 0.00 -0.57 0.00 0.00 43.02 38.88 2qtb s PHE 396 CO -0.10 -1.31 0.86 0.44 -0.10 0.00 0.00 175.22 175.02 2qtb n ILE 397 N 2.93 0.00 -4.09 0.64 -5.35 0.34 -4.91 119.36 108.92 2qtb n ILE 397 Ca 0.06 -0.35 -0.08 0.00 -0.27 0.00 0.00 62.75 62.11 2qtb n ILE 397 Cb 0.45 1.20 -0.10 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.83 0.30 0.15 7.28 -4.23 -1.25 -4.96 115.64 111.11 2qtb s THR 398 Ca 0.14 -1.69 -0.25 0.00 -1.18 0.00 0.00 61.69 58.71 2qtb s THR 398 Cb 0.13 -1.35 0.06 0.00 1.34 0.00 0.00 72.50 72.68 2qtb s THR 398 CO 0.38 -0.89 0.87 -1.59 -0.54 0.00 0.00 174.62 172.85 2qtb s LYS 399 N -3.50 1.26 0.00 3.99 -2.85 -1.26 -4.56 119.74 112.83 2qtb s LYS 399 Ca 0.04 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 2qtb s LYS 399 Cb 0.04 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2qtb s LYS 399 CO -0.07 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.21 2qtb n GLY 400 N -0.42 2.88 2.60 0.59 0.00 -1.26 -4.91 105.19 104.66 2qtb n GLY 400 Ca -0.07 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.87 4.92 -3.83 2.61 -2.24 -1.26 -4.79 114.28 107.82 2qtb n THR 401 Ca 0.00 -4.28 -0.07 0.00 -2.27 0.00 0.00 64.05 57.43 2qtb n THR 401 Cb 0.00 -2.19 0.01 0.00 -2.10 0.00 0.00 70.33 66.06 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 -0.53 0.04 0.06 4.78 1.48 -1.26 -5.04 118.94 118.48 2qtb s TRP 402 Ca 0.50 -0.60 0.02 0.00 -1.06 0.00 0.00 56.10 54.96 2qtb s TRP 402 Cb 0.16 0.78 -0.03 0.00 -1.16 0.00 0.00 33.47 33.21 2qtb s TRP 402 CO -0.06 -1.33 -0.08 -1.21 -4.06 0.00 0.00 176.95 170.21 2qtb s GLU 403 N -2.59 0.64 -0.10 3.25 2.02 -1.26 -4.50 118.70 116.17 2qtb s GLU 403 Ca 0.16 -0.95 -0.26 0.00 0.02 0.00 0.00 54.97 53.94 2qtb s GLU 403 Cb -0.04 -0.30 -0.02 0.00 0.10 0.00 0.00 34.13 33.86 2qtb s GLU 403 CO 0.09 0.04 0.85 0.08 0.02 0.00 0.00 175.26 176.33 2qtb s VAL 404 N -2.05 4.92 -0.07 2.63 1.01 -0.12 -2.66 120.40 124.06 2qtb s VAL 404 Ca -0.03 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 2qtb s VAL 404 Cb -0.05 -4.17 -0.30 0.00 0.00 0.00 0.00 36.38 31.86 2qtb s VAL 404 CO -0.01 0.12 0.78 0.40 0.00 0.00 0.00 175.10 176.39 2qtb h ILE 405 N 4.97 1.35 -2.02 2.22 1.08 -0.72 -3.46 117.51 120.94 2qtb h ILE 405 Ca -0.35 -2.50 0.13 0.00 -0.39 0.00 0.00 64.86 61.75 2qtb h ILE 405 Cb 1.17 3.04 -0.17 0.00 -3.07 0.00 0.00 36.82 37.79 2qtb h ILE 405 CO 0.80 0.71 0.56 -0.83 -0.69 0.00 0.00 178.15 178.70 2qtb s GLY 406 N -4.60 -0.40 -0.23 5.37 0.00 -1.11 -4.99 107.32 101.36 2qtb s GLY 406 Ca -0.16 1.28 -0.13 0.00 0.00 0.00 0.00 44.72 45.72 2qtb s GLY 406 CO 0.81 0.48 0.27 -0.42 0.00 0.00 0.00 173.10 174.24 2qtb s ILE 407 N -2.69 5.28 -0.16 0.90 1.01 -1.26 -1.02 121.20 123.26 2qtb s ILE 407 Ca 0.05 0.41 0.17 0.00 0.00 0.00 0.00 60.65 61.28 2qtb s ILE 407 Cb -0.01 -3.60 -0.24 0.00 0.01 0.00 0.00 42.46 38.62 2qtb s ILE 407 CO -0.07 0.29 0.12 -0.62 0.00 0.00 0.00 174.94 174.66 2qtb n GLU 408 N 4.50 0.90 -3.49 2.79 -0.58 -0.19 -4.99 120.64 119.59 2qtb n GLU 408 Ca -0.12 -0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.48 2qtb n GLU 408 Cb 0.52 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.59 -1.75 -0.09 0.62 0.00 -1.14 -4.89 121.76 111.92 2qtb s ALA 409 Ca -0.09 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 2qtb s ALA 409 Cb 0.07 0.40 0.05 0.00 0.00 0.00 0.00 23.12 23.64 2qtb s ALA 409 CO 0.78 -0.64 0.17 -1.17 0.00 0.00 0.00 175.76 174.90 2qtb s LEU 410 N -2.27 0.12 0.49 0.00 2.96 -1.26 -1.22 118.68 117.51 2qtb s LEU 410 Ca 0.01 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 2qtb s LEU 410 Cb -0.01 0.37 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 2qtb s LEU 410 CO -0.07 -0.22 0.05 0.42 -1.32 0.00 0.00 176.35 175.21 2qtb s THR 411 N 1.97 1.42 0.53 3.68 -4.23 0.14 -5.01 115.64 114.14 2qtb s THR 411 Ca -0.01 -1.94 0.34 0.00 -1.18 0.00 0.00 61.69 58.91 2qtb s THR 411 Cb -0.12 -2.36 0.37 0.00 1.34 0.00 0.00 72.50 71.73 2qtb s THR 411 CO -0.06 0.00 2.22 0.77 -0.54 0.00 0.00 174.62 177.01 2qtb h SER 412 N 1.38 0.00 0.00 3.99 4.64 -2.01 -3.24 113.55 118.31 2qtb h SER 412 Ca -0.43 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.77 2qtb h SER 412 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2qtb h SER 412 CO 0.74 0.03 -1.56 0.47 -0.87 0.00 0.00 176.83 175.65 2qtb n ASP 413 N -3.49 2.84 -4.14 4.97 8.00 -1.26 -4.92 116.55 118.55 2qtb n ASP 413 Ca -0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 2qtb n ASP 413 Cb 0.14 0.91 -0.11 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.33 0.94 -0.12 1.24 1.51 -1.22 -0.91 117.35 116.45 2qtb s TYR 414 Ca -0.04 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 2qtb s TYR 414 Cb 0.04 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.36 2qtb s TYR 414 CO 0.37 -0.04 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.40 2qtb s LEU 415 N -2.18 2.00 -0.12 -1.29 0.20 -0.78 -0.69 118.68 115.82 2qtb s LEU 415 Ca 0.01 -0.54 -0.04 0.00 0.69 0.00 0.00 54.13 54.25 2qtb s LEU 415 Cb -0.05 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 2qtb s LEU 415 CO -0.00 0.08 0.03 -0.31 -0.29 0.00 0.00 176.35 175.85 2qtb s TYR 416 N 0.75 3.22 0.16 5.38 1.51 -0.35 -1.18 117.35 126.83 2qtb s TYR 416 Ca -0.10 0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 2qtb s TYR 416 Cb -0.16 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 2qtb s TYR 416 CO 0.01 0.36 0.28 1.52 -1.11 0.00 0.00 175.55 176.61 2qtb s TYR 417 N -0.46 0.36 -0.11 2.71 -0.85 -0.17 -1.02 117.35 117.82 2qtb s TYR 417 Ca 0.09 -0.73 -0.00 0.00 -0.52 0.00 0.00 57.07 55.90 2qtb s TYR 417 Cb -0.12 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.15 2qtb s TYR 417 CO 0.02 -0.71 -0.09 0.42 -1.52 0.00 0.00 175.55 173.67 2qtb s ILE 418 N -3.95 3.44 0.20 -3.49 -1.09 -0.19 0.03 121.20 116.15 2qtb s ILE 418 Ca 0.16 -0.54 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 2qtb s ILE 418 Cb 0.03 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 2qtb s ILE 418 CO -0.01 0.54 0.25 -0.94 -1.23 0.00 0.00 174.94 173.55 2qtb s SER 419 N -0.09 0.08 -0.41 3.58 1.04 -0.62 0.04 113.70 117.32 2qtb s SER 419 Ca -0.00 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.35 2qtb s SER 419 Cb -0.13 0.44 0.57 0.00 0.10 0.00 0.00 66.02 66.99 2qtb s SER 419 CO 0.03 -0.92 1.72 -0.46 0.98 0.00 0.00 173.24 174.59 2qtb n ASN 420 N -0.27 3.82 -0.11 7.02 0.23 -1.09 -1.22 115.26 123.64 2qtb n ASN 420 Ca -0.02 -3.72 -0.11 0.00 -0.53 0.00 0.00 54.58 50.20 2qtb n ASN 420 Cb 0.64 -0.75 -0.03 0.00 -2.08 0.00 0.00 39.78 37.56 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 1.20 0.59 -6.14 -3.83 4.81 -1.84 -3.32 114.58 106.05 2qtb h GLU 421 Ca 0.46 -0.21 -0.75 0.00 -0.13 0.00 0.00 59.36 58.72 2qtb h GLU 421 Cb 2.06 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 31.43 2qtb h GLU 421 CO 0.87 0.76 0.58 0.98 -0.73 0.00 0.00 179.01 181.47 2qtb n TYR 422 N -4.49 1.59 -1.21 0.92 9.36 -1.26 -0.73 117.16 121.34 2qtb n TYR 422 Ca -0.02 0.76 -0.10 0.00 3.32 0.00 0.00 57.90 61.85 2qtb n TYR 422 Cb 0.30 -2.32 -0.04 0.00 -0.63 0.00 0.00 39.34 36.65 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 3.55 -1.50 -2.76 2.98 5.02 -1.26 -2.01 118.16 122.18 2qtb n LYS 423 Ca 0.23 0.70 -0.22 0.00 -2.02 0.00 0.00 58.31 57.01 2qtb n LYS 423 Cb 0.11 -4.86 0.02 0.00 -0.02 0.00 0.00 35.03 30.28 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 -0.01 -0.51 3.36 0.72 0.00 0.10 -4.95 105.19 103.89 2qtb n GLY 424 Ca -0.10 0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.43 2.98 0.61 1.61 -1.94 -0.85 -4.93 119.30 111.35 2qtb s MET 425 Ca 0.17 -1.47 0.40 0.00 -1.71 0.00 0.00 55.69 53.08 2qtb s MET 425 Cb -0.08 -4.19 2.11 0.00 2.01 0.00 0.00 34.83 34.68 2qtb s MET 425 CO 0.22 -1.13 2.23 -1.00 -0.01 0.00 0.00 175.02 175.32 2qtb h PRO 426 N 8.80 0.00 -0.17 2.03 0.13 -1.89 -1.17 132.00 139.73 2qtb h PRO 426 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qtb h PRO 426 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 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 -0.88 0.46 3.87 1.56 0.00 -1.26 -4.89 105.19 104.05 2qtb n GLY 427 Ca -0.02 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.63 1.59 -0.06 -0.02 0.00 -0.44 -2.81 107.32 103.95 2qtb s GLY 428 Ca 0.34 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 2qtb s GLY 428 CO 0.28 -1.48 0.12 0.50 0.00 0.00 0.00 173.10 172.51 2qtb s ARG 429 N -3.97 0.06 0.06 2.90 1.81 0.18 -4.14 118.95 115.85 2qtb s ARG 429 Ca 0.38 0.33 0.01 0.00 -1.72 0.00 0.00 55.73 54.74 2qtb s ARG 429 Cb -0.07 -0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.19 2qtb s ARG 429 CO 0.27 -0.17 -0.05 -0.80 -0.68 0.00 0.00 175.30 173.87 2qtb s ASN 430 N 1.18 0.76 -0.06 0.23 0.01 -0.36 -1.19 114.94 115.51 2qtb s ASN 430 Ca -0.09 -0.83 -0.18 0.00 -0.71 0.00 0.00 52.86 51.05 2qtb s ASN 430 Cb -0.12 0.11 -0.05 0.00 0.41 0.00 0.00 41.25 41.60 2qtb s ASN 430 CO -0.05 -0.42 0.49 -0.22 -1.51 0.00 0.00 177.10 175.39 2qtb s LEU 431 N -2.45 4.37 0.14 0.60 2.96 -1.26 -1.59 118.68 121.44 2qtb s LEU 431 Ca 0.01 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 54.94 2qtb s LEU 431 Cb 0.00 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2qtb s LEU 431 CO -0.05 0.11 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.64 2qtb s TYR 432 N -0.03 1.47 -0.08 5.38 1.51 0.11 -0.57 117.35 125.14 2qtb s TYR 432 Ca 0.27 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2qtb s TYR 432 Cb -0.16 -0.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 2qtb s TYR 432 CO 0.13 0.18 -0.13 0.21 -1.11 0.00 0.00 175.55 174.83 2qtb s LYS 433 N -2.83 1.88 -0.07 -0.62 2.20 0.20 -0.99 119.74 119.50 2qtb s LYS 433 Ca 0.11 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.31 2qtb s LYS 433 Cb -0.04 -1.59 -0.00 0.00 -1.51 0.00 0.00 37.83 34.69 2qtb s LYS 433 CO 0.04 -0.02 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.31 2qtb s ILE 434 N 0.84 1.70 -0.08 5.43 2.07 -0.32 -0.64 121.20 130.20 2qtb s ILE 434 Ca -0.11 -0.84 -0.30 0.00 -1.41 0.00 0.00 60.65 58.00 2qtb s ILE 434 Cb -0.15 -1.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.93 2qtb s ILE 434 CO 0.01 0.48 1.30 -1.58 -1.91 0.00 0.00 174.94 173.24 2qtb s GLN 435 N 0.20 4.28 0.47 3.50 0.74 -0.68 -1.86 119.66 126.30 2qtb s GLN 435 Ca -0.10 1.76 0.22 0.00 0.05 0.00 0.00 55.36 57.29 2qtb s GLN 435 Cb -0.15 -3.67 1.17 0.00 1.10 0.00 0.00 33.01 31.47 2qtb s GLN 435 CO 0.05 -0.60 1.98 -0.07 -0.55 0.00 0.00 175.29 176.10 2qtb h LEU 436 N 8.94 0.00 -0.23 3.68 3.38 -1.38 -2.50 115.31 127.21 2qtb h LEU 436 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2qtb h LEU 436 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2qtb h LEU 436 CO 0.92 0.20 -0.33 -1.54 0.09 0.00 0.00 178.44 177.78 2qtb n SER 437 N -3.78 0.69 -3.23 -0.43 3.41 -1.26 -4.62 113.62 104.39 2qtb n SER 437 Ca -0.02 -0.51 -0.07 0.00 -0.26 0.00 0.00 58.87 58.02 2qtb n SER 437 Cb 0.30 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.74 -0.49 0.51 4.04 -1.08 -0.95 -5.02 116.67 110.95 2qtb s ASP 438 Ca 0.19 -1.23 0.29 0.00 -0.52 0.00 0.00 52.55 51.27 2qtb s ASP 438 Cb 0.19 1.39 1.56 0.00 -1.46 0.00 0.00 42.92 44.59 2qtb s ASP 438 CO 0.59 -0.19 1.86 1.88 0.52 0.00 0.00 175.17 179.83 2qtb h TYR 439 N 6.79 0.00 0.00 -5.34 0.05 -1.80 0.17 116.97 116.83 2qtb h TYR 439 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2qtb h TYR 439 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2qtb h TYR 439 CO 0.21 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.57 2qtb n THR 440 N -2.61 0.10 -3.22 -2.88 -2.24 -1.26 -4.46 114.28 97.72 2qtb n THR 440 Ca -0.02 0.03 -0.46 0.00 -2.27 0.00 0.00 64.05 61.33 2qtb n THR 440 Cb 0.19 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.91 3.10 -0.11 -0.78 -0.14 0.58 -5.00 119.74 114.49 2qtb s LYS 441 Ca 0.16 -1.64 0.00 0.00 -1.36 0.00 0.00 55.97 53.13 2qtb s LYS 441 Cb 0.18 -4.32 0.02 0.00 -1.68 0.00 0.00 37.83 32.03 2qtb s LYS 441 CO 0.49 -1.43 -0.09 0.08 -0.76 0.00 0.00 175.35 173.64 2qtb s VAL 442 N 1.91 1.11 -0.09 3.17 1.01 -1.26 -1.69 120.40 124.56 2qtb s VAL 442 Ca 0.09 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2qtb s VAL 442 Cb -0.24 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2qtb s VAL 442 CO 0.02 0.37 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 2qtb s THR 443 N 1.43 2.99 -0.25 3.92 2.01 0.19 -4.96 115.64 120.98 2qtb s THR 443 Ca 0.00 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 2qtb s THR 443 Cb -0.13 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2qtb s THR 443 CO -0.06 0.55 0.65 0.00 -0.69 0.00 0.00 174.62 175.07 2qtb n LEU 445 N 5.66 0.50 0.00 0.00 4.77 0.26 -4.47 117.00 123.72 2qtb n LEU 445 Ca -0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2qtb n LEU 445 Cb 0.49 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2qtb n LEU 445 CO 0.43 -0.00 -0.37 -1.54 -1.33 0.00 0.00 177.39 174.58 2qtb n SER 446 N -1.81 3.68 -0.26 -1.43 3.41 -1.23 -4.83 113.62 111.16 2qtb n SER 446 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2qtb n SER 446 Cb 0.38 0.70 0.07 0.00 -0.26 0.00 0.00 64.21 65.10 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 -5.49 2.23 -0.01 0.00 4.71 -1.26 -4.09 120.64 116.73 2qtb n GLU 448 Ca 0.09 -1.83 -0.10 0.00 -0.01 0.00 0.00 57.16 55.31 2qtb n GLU 448 Cb 0.39 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.30 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 3.82 -0.16 -5.04 -4.62 3.38 -1.78 -3.38 115.31 107.53 2qtb h LEU 449 Ca 0.00 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 2qtb h LEU 449 Cb 0.83 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 2qtb h LEU 449 CO 0.00 -0.07 -0.51 -3.20 0.09 0.00 0.00 178.44 174.76 2qtb n ASN 450 N -5.18 -3.11 -0.22 -0.43 2.85 -1.26 -5.04 115.26 102.87 2qtb n ASN 450 Ca -0.04 -3.09 0.23 0.00 -0.11 0.00 0.00 54.58 51.57 2qtb n ASN 450 Cb 0.11 1.73 0.59 0.00 1.24 0.00 0.00 39.78 43.44 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 4.53 0.25 0.04 1.20 0.13 -1.76 0.49 132.00 136.89 2qtb h PRO 451 Ca -0.03 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.80 2qtb h PRO 451 Cb 1.07 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 32.16 2qtb h PRO 451 CO 0.17 0.17 -1.11 0.93 -0.23 0.00 0.00 178.00 177.93 2qtb h GLU 452 N 0.26 0.68 0.02 0.86 3.07 -1.96 -3.35 114.58 114.17 2qtb h GLU 452 Ca 0.46 -0.79 -0.29 0.00 -0.50 0.00 0.00 59.36 58.25 2qtb h GLU 452 Cb 1.38 0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 29.48 2qtb h GLU 452 CO -0.13 1.35 -1.61 -0.09 -1.40 0.00 0.00 179.01 177.13 2qtb h ARG 453 N 0.36 0.05 -4.58 2.33 2.43 -1.79 -3.42 114.38 109.75 2qtb h ARG 453 Ca -0.15 -0.08 -0.61 0.00 -0.81 0.00 0.00 59.98 58.33 2qtb h ARG 453 Cb 1.77 0.03 -0.37 0.00 -0.42 0.00 0.00 29.97 30.98 2qtb h ARG 453 CO 0.22 0.69 -0.81 0.00 -1.51 0.00 0.00 179.97 178.55 2qtb n GLN 455 N 4.69 0.20 -3.62 0.00 6.02 0.18 -4.37 117.38 120.48 2qtb n GLN 455 Ca -0.15 -0.40 -0.29 0.00 -0.01 0.00 0.00 57.00 56.15 2qtb n GLN 455 Cb 0.47 -0.60 -0.15 0.00 1.02 0.00 0.00 30.24 30.98 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 -0.10 0.82 0.16 1.08 6.14 -1.03 -0.65 117.35 123.77 2qtb s TYR 456 Ca 0.00 -1.14 0.08 0.00 0.64 0.00 0.00 57.07 56.65 2qtb s TYR 456 Cb 0.00 -1.17 -0.04 0.00 0.42 0.00 0.00 41.96 41.17 2qtb s TYR 456 CO 0.00 -0.82 -0.09 0.71 0.64 0.00 0.00 175.55 175.99 2qtb s TYR 457 N 1.93 2.67 0.09 4.97 2.02 -0.33 -0.67 117.35 128.03 2qtb s TYR 457 Ca 0.08 -0.20 -0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2qtb s TYR 457 Cb -0.16 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 2qtb s TYR 457 CO -0.30 0.48 -0.01 -1.54 -1.57 0.00 0.00 175.55 172.61 2qtb s SER 458 N -2.64 0.59 0.07 2.29 1.04 -0.53 -4.60 113.70 109.92 2qtb s SER 458 Ca 0.24 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 2qtb s SER 458 Cb -0.09 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2qtb s SER 458 CO 0.15 -0.61 -0.04 0.54 0.98 0.00 0.00 173.24 174.25 2qtb s VAL 459 N -3.89 0.39 -0.22 5.02 0.11 -1.26 -0.94 120.40 119.61 2qtb s VAL 459 Ca 0.14 -1.86 -0.04 0.00 -2.93 0.00 0.00 61.98 57.29 2qtb s VAL 459 Cb 0.07 -1.59 0.08 0.00 -1.53 0.00 0.00 36.38 33.41 2qtb s VAL 459 CO -0.05 -0.95 0.10 -0.55 -3.33 0.00 0.00 175.10 170.33 2qtb s SER 460 N -2.97 2.89 0.34 3.54 0.15 -0.56 -4.98 113.70 112.12 2qtb s SER 460 Ca 0.09 -0.92 -0.14 0.00 0.70 0.00 0.00 55.95 55.68 2qtb s SER 460 Cb 0.07 -0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 63.97 2qtb s SER 460 CO -0.08 -0.38 0.75 -0.36 1.20 0.00 0.00 173.24 174.36 2qtb s PHE 461 N 2.09 3.39 1.21 3.44 0.40 -1.26 -1.20 117.98 126.05 2qtb s PHE 461 Ca 0.05 1.18 -0.20 0.00 -0.60 0.00 0.00 56.93 57.36 2qtb s PHE 461 Cb -0.16 -2.52 0.30 0.00 0.51 0.00 0.00 43.02 41.14 2qtb s PHE 461 CO -0.20 0.04 1.15 -1.54 0.70 0.00 0.00 175.22 175.37 2qtb s SER 462 N -2.48 0.90 0.18 1.36 1.04 0.60 -4.82 113.70 110.48 2qtb s SER 462 Ca 0.54 0.44 -0.17 0.00 0.48 0.00 0.00 55.95 57.24 2qtb s SER 462 Cb -0.10 -0.55 0.13 0.00 0.10 0.00 0.00 66.02 65.60 2qtb s SER 462 CO 0.21 -4.12 1.65 0.11 0.98 0.00 0.00 173.24 172.06 2qtb h LYS 463 N -2.58 -0.04 -0.60 4.02 1.79 -1.66 -1.56 116.57 115.93 2qtb h LYS 463 Ca -0.43 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.77 2qtb h LYS 463 Cb 1.27 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.77 2qtb h LYS 463 CO 0.29 -0.03 0.21 0.39 -1.08 0.00 0.00 179.45 179.23 2qtb n GLU 464 N -5.36 2.35 -2.08 3.15 -0.58 -1.26 -4.92 120.64 111.93 2qtb n GLU 464 Ca 0.04 -3.09 -0.21 0.00 -0.42 0.00 0.00 57.16 53.48 2qtb n GLU 464 Cb 0.27 -1.99 -0.04 0.00 -0.57 0.00 0.00 31.44 29.10 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 -0.94 -0.50 0.17 0.62 0.00 -0.59 -4.86 120.51 114.41 2qtb n ALA 465 Ca 0.42 0.24 0.03 0.00 0.00 0.00 0.00 53.44 54.13 2qtb n ALA 465 Cb 1.28 -2.14 0.25 0.00 0.00 0.00 0.00 19.45 18.83 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 0.00 -4.26 0.00 3.64 -1.80 -3.43 116.57 110.72 2qtb h LYS 466 Ca -0.47 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.76 2qtb h LYS 466 Cb 1.36 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 2qtb h LYS 466 CO 0.60 0.47 -0.69 0.71 -2.27 0.00 0.00 179.45 178.27 2qtb s TYR 467 N -3.50 0.53 -0.08 1.91 2.02 -1.26 -0.89 117.35 116.08 2qtb s TYR 467 Ca 0.00 -0.93 -0.09 0.00 -0.37 0.00 0.00 57.07 55.68 2qtb s TYR 467 Cb 0.11 -0.37 0.02 0.00 -0.40 0.00 0.00 41.96 41.32 2qtb s TYR 467 CO 0.71 -0.30 0.24 1.52 -1.57 0.00 0.00 175.55 176.15 2qtb s TYR 468 N -3.34 -0.24 -0.23 2.71 1.13 -0.31 -0.29 117.35 116.78 2qtb s TYR 468 Ca 0.03 0.57 -0.12 0.00 -1.41 0.00 0.00 57.07 56.15 2qtb s TYR 468 Cb 0.04 0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 2qtb s TYR 468 CO -0.07 -0.16 0.22 -1.14 -2.51 0.00 0.00 175.55 171.89 2qtb s GLN 469 N -0.08 4.10 -0.08 -3.49 0.74 -0.34 -0.18 119.66 120.33 2qtb s GLN 469 Ca -0.02 -0.15 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 2qtb s GLN 469 Cb -0.02 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 2qtb s GLN 469 CO 0.01 0.05 0.27 -0.51 -0.55 0.00 0.00 175.29 174.56 2qtb s LEU 470 N 1.09 4.40 -0.29 3.68 1.43 0.15 -1.50 118.68 127.64 2qtb s LEU 470 Ca 0.10 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 2qtb s LEU 470 Cb -0.14 -2.33 0.08 0.00 0.03 0.00 0.00 46.19 43.83 2qtb s LEU 470 CO 0.05 0.32 -0.03 -0.13 0.23 0.00 0.00 176.35 176.79 2qtb s ARG 471 N -0.77 1.80 -0.20 1.70 0.52 -0.11 -1.58 118.95 120.31 2qtb s ARG 471 Ca 0.19 -1.52 -0.18 0.00 -0.52 0.00 0.00 55.73 53.70 2qtb s ARG 471 Cb -0.14 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 2qtb s ARG 471 CO 0.08 -0.74 0.49 0.00 0.02 0.00 0.00 175.30 175.14 2qtb n SER 473 N 4.76 2.31 0.00 0.00 3.41 0.16 -1.48 113.62 122.78 2qtb n SER 473 Ca -0.06 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2qtb n SER 473 Cb 0.51 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.07 0.85 0.15 5.00 0.00 -1.26 -0.84 105.19 109.16 2qtb n GLY 474 Ca 0.06 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.86 0.51 132.00 133.39 2qtb h PRO 475 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qtb h PRO 475 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qtb h PRO 475 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 2qtb n GLY 476 N 0.32 -0.03 3.77 1.56 0.00 -0.07 -4.44 105.19 106.30 2qtb n GLY 476 Ca 0.03 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 4.22 0.42 0.99 1.43 -1.26 -4.56 118.68 119.91 2qtb s LEU 477 Ca 0.00 2.84 -0.24 0.00 -1.03 0.00 0.00 54.13 55.70 2qtb s LEU 477 Cb 0.00 -3.84 -0.11 0.00 0.03 0.00 0.00 46.19 42.27 2qtb s LEU 477 CO 0.00 -0.95 0.98 -2.65 0.23 0.00 0.00 176.35 173.96 2qtb n PRO 478 N 0.14 1.29 -3.98 1.29 -0.02 -1.26 -4.76 135.00 127.70 2qtb n PRO 478 Ca 0.03 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 2qtb n PRO 478 Cb 0.42 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.36 1.06 -0.16 2.45 2.96 -0.55 -4.30 118.68 119.78 2qtb s LEU 479 Ca 0.63 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2qtb s LEU 479 Cb -0.56 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 2qtb s LEU 479 CO 0.57 -0.11 -0.10 -0.31 -1.32 0.00 0.00 176.35 175.08 2qtb s TYR 480 N 1.25 2.87 0.09 5.38 1.51 0.10 -1.15 117.35 127.40 2qtb s TYR 480 Ca -0.06 -0.73 0.04 0.00 -1.01 0.00 0.00 57.07 55.30 2qtb s TYR 480 Cb -0.13 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2qtb s TYR 480 CO -0.02 -0.31 -0.10 0.95 -1.11 0.00 0.00 175.55 174.96 2qtb s THR 481 N 0.69 0.91 -0.04 -0.71 -4.23 -0.61 -0.35 115.64 111.29 2qtb s THR 481 Ca -0.05 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 2qtb s THR 481 Cb -0.15 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 2qtb s THR 481 CO 0.02 -0.52 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.25 2qtb s LEU 482 N -2.31 2.92 0.05 4.79 2.96 -0.72 0.32 118.68 126.69 2qtb s LEU 482 Ca 0.03 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2qtb s LEU 482 Cb -0.04 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2qtb s LEU 482 CO 0.00 0.33 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.31 2qtb s HIS 483 N -0.81 0.62 -0.24 5.38 3.76 0.74 -0.42 115.29 124.33 2qtb s HIS 483 Ca 0.13 -0.71 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 2qtb s HIS 483 Cb -0.11 -0.39 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 2qtb s HIS 483 CO 0.02 -0.17 0.22 0.45 -0.85 0.00 0.00 174.74 174.41 2qtb s SER 484 N -2.18 6.17 0.38 1.40 0.15 -0.54 -1.17 113.70 117.92 2qtb s SER 484 Ca -0.02 0.19 0.16 0.00 0.70 0.00 0.00 55.95 56.97 2qtb s SER 484 Cb -0.03 -2.14 0.78 0.00 -1.71 0.00 0.00 66.02 62.92 2qtb s SER 484 CO -0.03 0.01 1.82 0.28 1.20 0.00 0.00 173.24 176.52 2qtb h SER 485 N 7.64 0.00 -0.33 5.45 0.02 -1.28 0.97 113.55 126.02 2qtb h SER 485 Ca -0.37 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2qtb h SER 485 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2qtb h SER 485 CO 0.65 0.36 0.22 1.62 -1.14 0.00 0.00 176.83 178.54 2qtb h VAL 486 N 0.00 1.08 0.00 2.27 3.04 -1.90 -3.26 116.25 117.47 2qtb h VAL 486 Ca -0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2qtb h VAL 486 Cb 0.71 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2qtb h VAL 486 CO 0.05 0.08 0.00 -0.46 -1.01 0.00 0.00 177.57 176.23 2qtb n ASN 487 N -4.49 0.44 -3.05 3.17 2.04 -1.22 -5.02 115.26 107.13 2qtb n ASN 487 Ca 0.02 -1.20 -0.20 0.00 -0.44 0.00 0.00 54.58 52.76 2qtb n ASN 487 Cb 0.07 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 2qtb n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2qtb n ASP 488 N -0.10 -4.17 -4.88 0.53 10.43 0.33 -4.96 116.55 113.72 2qtb n ASP 488 Ca 0.00 -0.21 -0.35 0.00 2.57 0.00 0.00 54.79 56.80 2qtb n ASP 488 Cb 0.40 -3.46 -0.05 0.00 1.84 0.00 0.00 41.12 39.85 2qtb n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2qtb s LYS 489 N -5.69 3.58 0.16 -1.24 -0.14 -1.18 -4.87 119.74 110.35 2qtb s LYS 489 Ca 0.27 -0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 2qtb s LYS 489 Cb -0.14 -3.09 -0.07 0.00 -1.68 0.00 0.00 37.83 32.85 2qtb s LYS 489 CO 0.34 0.66 1.17 0.20 -0.76 0.00 0.00 175.35 176.95 2qtb s GLY 490 N -1.66 2.68 -0.13 -3.33 0.00 -1.26 -1.47 107.32 102.14 2qtb s GLY 490 Ca 0.27 0.89 0.07 0.00 0.00 0.00 0.00 44.72 45.95 2qtb s GLY 490 CO 0.15 1.83 0.30 1.04 0.00 0.00 0.00 173.10 176.43 2qtb n LEU 491 N 2.75 1.48 0.00 0.66 4.77 0.45 -4.91 117.00 122.19 2qtb n LEU 491 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2qtb n LEU 491 Cb 0.45 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2qtb n LEU 491 CO 0.55 0.63 0.00 -2.11 -1.33 0.00 0.00 177.39 175.13 2qtb n ARG 492 N -3.13 0.00 -3.15 3.23 1.85 -1.21 -5.02 116.66 109.22 2qtb n ARG 492 Ca -0.29 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.17 2qtb n ARG 492 Cb 1.07 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.42 2qtb n ARG 492 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qtb s VAL 493 N -2.00 4.79 -0.23 8.89 1.01 -1.26 -1.75 120.40 129.85 2qtb s VAL 493 Ca 0.00 1.36 0.09 0.00 0.00 0.00 0.00 61.98 63.43 2qtb s VAL 493 Cb 0.00 -3.98 -0.20 0.00 0.00 0.00 0.00 36.38 32.20 2qtb s VAL 493 CO 0.00 0.44 -0.09 0.18 0.00 0.00 0.00 175.10 175.63 2qtb n LEU 494 N 2.44 1.64 -3.58 3.92 4.77 0.52 -4.94 117.00 121.77 2qtb n LEU 494 Ca -0.06 -0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 2qtb n LEU 494 Cb 0.51 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2qtb n LEU 494 CO 0.44 0.73 0.43 -0.70 -1.33 0.00 0.00 177.39 176.96 2qtb s GLU 495 N -2.49 0.50 0.00 3.23 2.56 -1.12 -5.00 118.70 116.38 2qtb s GLU 495 Ca -0.23 1.11 0.08 0.00 0.00 0.00 0.00 54.97 55.93 2qtb s GLU 495 Cb 0.07 0.51 0.06 0.00 2.00 0.00 0.00 34.13 36.77 2qtb s GLU 495 CO 0.68 -0.15 0.74 -0.40 -0.56 0.00 0.00 175.26 175.57 2qtb n ASP 496 N 4.87 1.61 -2.72 -1.70 5.68 -1.26 -0.72 116.55 122.30 2qtb n ASP 496 Ca -0.14 -1.30 -0.21 0.00 -0.50 0.00 0.00 54.79 52.64 2qtb n ASP 496 Cb 0.53 0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.37 -5.84 -0.15 -1.12 3.02 -1.26 -4.82 115.26 105.45 2qtb n ASN 497 Ca 0.05 -0.22 -0.03 0.00 -0.03 0.00 0.00 54.58 54.35 2qtb n ASN 497 Cb 0.20 -4.70 0.18 0.00 -0.61 0.00 0.00 39.78 34.85 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 -1.05 0.82 -0.18 6.41 4.64 -1.94 -1.30 113.55 120.95 2qtb h SER 498 Ca -0.49 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 60.71 2qtb h SER 498 Cb 1.35 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2qtb h SER 498 CO 0.54 0.79 0.01 0.00 -0.87 0.00 0.00 176.83 177.30 2qtb h ALA 499 N 1.32 0.16 -0.61 5.18 0.00 -1.99 -0.92 119.26 122.40 2qtb h ALA 499 Ca 0.19 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2qtb h ALA 499 Cb 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qtb h ALA 499 CO -0.01 -0.43 0.07 1.25 0.00 0.00 0.00 179.25 180.14 2qtb h LEU 500 N 0.07 0.99 -1.17 0.00 5.85 -1.79 -2.60 115.31 116.66 2qtb h LEU 500 Ca 0.08 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2qtb h LEU 500 Cb 0.10 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2qtb h LEU 500 CO -0.13 1.02 0.57 -0.78 -0.34 0.00 0.00 178.44 178.78 2qtb h ASP 501 N 0.93 0.91 -0.30 1.25 3.58 -0.81 -0.68 116.42 121.31 2qtb h ASP 501 Ca 0.18 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2qtb h ASP 501 Cb 0.46 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2qtb h ASP 501 CO 0.02 0.60 0.09 0.50 -2.88 0.00 0.00 179.24 177.57 2qtb h LYS 502 N 1.04 0.46 -0.51 0.28 3.64 -0.91 -3.03 116.57 117.54 2qtb h LYS 502 Ca 0.36 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2qtb h LYS 502 Cb 0.12 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2qtb h LYS 502 CO -0.12 0.52 0.22 0.52 -2.27 0.00 0.00 179.45 178.31 2qtb h MET 503 N 0.32 0.76 0.00 1.90 2.86 -0.98 -2.79 114.93 117.00 2qtb h MET 503 Ca 0.09 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qtb h MET 503 Cb 0.25 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2qtb h MET 503 CO -0.00 0.66 0.00 1.28 1.06 0.00 0.00 176.91 179.91 2qtb n LEU 504 N -4.56 0.41 -0.20 1.22 4.77 -0.34 -2.41 117.00 115.90 2qtb n LEU 504 Ca 0.02 0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 56.62 2qtb n LEU 504 Cb 0.15 -0.64 0.18 0.00 -2.33 0.00 0.00 43.42 40.77 2qtb n LEU 504 CO 0.38 -0.65 1.09 1.56 -1.33 0.00 0.00 177.39 178.44 2qtb h GLN 505 N 0.00 0.98 -0.65 3.23 1.08 -1.37 -2.31 115.11 116.08 2qtb h GLN 505 Ca 0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2qtb h GLN 505 Cb 0.15 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2qtb h GLN 505 CO 0.00 0.77 0.00 0.09 -0.95 0.00 0.00 178.83 178.74 2qtb n ASN 506 N -4.32 2.64 -4.13 1.46 3.02 -1.01 -4.85 115.26 108.07 2qtb n ASN 506 Ca 0.06 -2.27 -0.25 0.00 -0.03 0.00 0.00 54.58 52.10 2qtb n ASN 506 Cb 0.15 -0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.71 1.31 -1.28 2.41 1.01 -0.87 -3.49 120.40 117.78 2qtb s VAL 507 Ca 0.23 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2qtb s VAL 507 Cb 0.16 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.46 2qtb s VAL 507 CO 0.10 0.38 1.79 0.00 0.00 0.00 0.00 175.10 177.37 2qtb n GLN 508 N 2.96 2.85 -2.50 2.72 6.02 0.11 -4.96 117.38 124.57 2qtb n GLN 508 Ca -0.17 -3.09 -0.35 0.00 -0.01 0.00 0.00 57.00 53.38 2qtb n GLN 508 Cb 0.54 -3.54 -0.03 0.00 1.02 0.00 0.00 30.24 28.22 2qtb n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2qtb s MET 509 N 4.67 3.89 0.74 -1.09 -1.94 -1.26 -4.40 119.30 119.92 2qtb s MET 509 Ca 0.57 1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 55.90 2qtb s MET 509 Cb 0.03 -2.27 0.04 0.00 2.01 0.00 0.00 34.83 34.64 2qtb s MET 509 CO 0.09 -0.37 1.10 -1.25 -0.01 0.00 0.00 175.02 174.58 2qtb s PRO 510 N -2.94 2.54 0.28 2.03 0.04 -1.26 -4.36 135.00 131.33 2qtb s PRO 510 Ca 0.64 0.51 0.08 0.00 0.04 0.00 0.00 61.00 62.27 2qtb s PRO 510 Cb -0.20 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2qtb s PRO 510 CO 0.24 -1.27 0.15 -1.54 0.04 0.00 0.00 177.00 174.62 2qtb s SER 511 N -4.20 5.14 -0.05 6.66 1.04 0.18 -4.90 113.70 117.56 2qtb s SER 511 Ca 0.59 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.62 2qtb s SER 511 Cb -0.12 -1.12 -0.00 0.00 0.10 0.00 0.00 66.02 64.87 2qtb s SER 511 CO 0.53 -0.10 -0.20 -0.75 0.98 0.00 0.00 173.24 173.69 2qtb s LYS 512 N -3.82 2.09 -0.08 4.02 2.20 -1.26 0.59 119.74 123.48 2qtb s LYS 512 Ca 0.34 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2qtb s LYS 512 Cb -0.07 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 2qtb s LYS 512 CO 0.24 0.28 -0.21 0.21 -0.36 0.00 0.00 175.35 175.50 2qtb s LYS 513 N 0.01 2.87 -0.14 4.03 2.20 -0.31 -4.96 119.74 123.44 2qtb s LYS 513 Ca -0.05 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 2qtb s LYS 513 Cb -0.13 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 2qtb s LYS 513 CO 0.03 0.31 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.99 2qtb s LEU 514 N 0.04 1.83 0.00 5.43 2.96 -1.26 -0.68 118.68 127.01 2qtb s LEU 514 Ca -0.08 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2qtb s LEU 514 Cb -0.15 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.29 2qtb s LEU 514 CO 0.05 -0.01 0.08 -0.67 -1.32 0.00 0.00 176.35 174.48 2qtb n ASP 515 N 4.53 -0.23 -4.08 3.68 4.64 -0.63 -5.02 116.55 119.44 2qtb n ASP 515 Ca -0.19 -1.17 -0.10 0.00 -1.38 0.00 0.00 54.79 51.96 2qtb n ASP 515 Cb 0.50 0.38 -0.09 0.00 -1.04 0.00 0.00 41.12 40.87 2qtb n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2qtb s PHE 516 N -7.95 0.70 0.12 -0.67 -0.71 -1.26 -0.57 117.98 107.64 2qtb s PHE 516 Ca 0.02 -1.07 0.06 0.00 -1.04 0.00 0.00 56.93 54.90 2qtb s PHE 516 Cb -0.00 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.44 2qtb s PHE 516 CO 0.01 -0.59 -0.16 0.96 -1.34 0.00 0.00 175.22 174.10 2qtb s ILE 517 N -4.02 1.42 -0.26 -4.49 -4.36 -0.75 -4.95 121.20 103.80 2qtb s ILE 517 Ca 0.22 -1.64 -0.09 0.00 -0.26 0.00 0.00 60.65 58.88 2qtb s ILE 517 Cb 0.06 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 2qtb s ILE 517 CO 0.01 -0.31 0.13 -0.63 0.24 0.00 0.00 174.94 174.39 2qtb s ILE 518 N -1.80 4.93 -0.11 8.37 1.01 -1.26 -1.30 121.20 131.04 2qtb s ILE 518 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2qtb s ILE 518 Cb -0.07 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.10 2qtb s ILE 518 CO 0.04 0.31 -0.12 -0.76 0.00 0.00 0.00 174.94 174.41 2qtb s LEU 519 N 1.49 1.50 -1.50 2.97 1.43 -0.46 -4.71 118.68 119.40 2qtb s LEU 519 Ca 0.06 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2qtb s LEU 519 Cb -0.15 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.12 2qtb s LEU 519 CO 0.07 -0.05 0.73 0.59 0.23 0.00 0.00 176.35 177.92 2qtb n ASN 520 N 4.52 -5.96 -1.94 2.29 4.13 -1.26 -1.94 115.26 115.10 2qtb n ASN 520 Ca -0.17 -0.37 -0.19 0.00 1.68 0.00 0.00 54.58 55.54 2qtb n ASN 520 Cb 0.51 -4.79 -0.03 0.00 -1.54 0.00 0.00 39.78 33.93 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 -4.24 -1.45 -4.29 3.52 1.02 -1.26 -4.99 120.64 108.94 2qtb n GLU 521 Ca -0.08 1.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.88 2qtb n GLU 521 Cb 0.60 -5.47 -0.15 0.00 -0.02 0.00 0.00 31.44 26.40 2qtb n GLU 521 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2qtb s THR 522 N -2.87 0.61 0.17 2.62 -1.32 -0.82 -5.12 115.64 108.91 2qtb s THR 522 Ca 0.00 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 59.83 2qtb s THR 522 Cb 0.00 -0.52 -0.07 0.00 -1.51 0.00 0.00 72.50 70.40 2qtb s THR 522 CO 0.00 0.16 0.98 -0.54 -2.21 0.00 0.00 174.62 173.01 2qtb s LYS 523 N -0.22 4.73 -0.16 7.08 1.02 -1.26 -1.35 119.74 129.57 2qtb s LYS 523 Ca 0.03 1.51 -0.01 0.00 0.02 0.00 0.00 55.97 57.52 2qtb s LYS 523 Cb -0.03 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2qtb s LYS 523 CO -0.00 0.29 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.62 2qtb s PHE 524 N -0.45 1.58 0.49 3.18 0.40 -0.42 -4.97 117.98 117.79 2qtb s PHE 524 Ca 0.45 -1.02 -0.19 0.00 -0.60 0.00 0.00 56.93 55.58 2qtb s PHE 524 Cb -0.25 -1.26 -0.08 0.00 0.51 0.00 0.00 43.02 41.94 2qtb s PHE 524 CO 0.32 -0.60 1.00 -1.58 0.70 0.00 0.00 175.22 175.05 2qtb s TRP 525 N 1.67 3.24 0.14 0.36 0.52 -1.26 -1.81 118.94 121.80 2qtb s TRP 525 Ca 0.01 1.54 -0.13 0.00 0.02 0.00 0.00 56.10 57.54 2qtb s TRP 525 Cb -0.15 -2.90 0.01 0.00 -1.15 0.00 0.00 33.47 29.28 2qtb s TRP 525 CO -0.07 -0.50 0.35 1.52 0.02 0.00 0.00 176.95 178.26 2qtb s TYR 526 N -2.32 0.05 0.07 -1.98 -0.85 0.27 -1.68 117.35 110.91 2qtb s TYR 526 Ca 0.62 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.79 2qtb s TYR 526 Cb -0.12 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 2qtb s TYR 526 CO 0.24 -0.72 -0.08 1.14 -1.52 0.00 0.00 175.55 174.62 2qtb s GLN 527 N -3.87 0.70 -0.03 -3.49 -2.07 -0.73 -1.61 119.66 108.56 2qtb s GLN 527 Ca 0.08 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 2qtb s GLN 527 Cb 0.02 -0.29 0.03 0.00 -1.09 0.00 0.00 33.01 31.68 2qtb s GLN 527 CO -0.07 0.03 -0.00 -1.64 -1.32 0.00 0.00 175.29 172.29 2qtb s MET 528 N -2.70 0.36 -0.43 9.60 -1.94 0.15 -1.72 119.30 122.63 2qtb s MET 528 Ca 0.01 0.06 -0.20 0.00 -1.71 0.00 0.00 55.69 53.86 2qtb s MET 528 Cb -0.03 -0.53 0.02 0.00 2.01 0.00 0.00 34.83 36.30 2qtb s MET 528 CO -0.02 -0.13 0.58 0.42 -0.01 0.00 0.00 175.02 175.86 2qtb s ILE 529 N 1.04 4.91 -0.10 2.53 -1.09 0.34 -1.16 121.20 127.67 2qtb s ILE 529 Ca -0.10 0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.23 2qtb s ILE 529 Cb -0.14 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 2qtb s ILE 529 CO -0.02 -0.52 0.28 -0.76 -1.23 0.00 0.00 174.94 172.69 2qtb s LEU 530 N 2.62 4.36 0.83 2.97 1.43 0.20 -2.34 118.68 128.75 2qtb s LEU 530 Ca 0.20 0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 2qtb s LEU 530 Cb -0.15 -2.34 0.09 0.00 0.03 0.00 0.00 46.19 43.81 2qtb s LEU 530 CO 0.17 0.26 1.11 -2.65 0.23 0.00 0.00 176.35 175.47 2qtb n PRO 531 N 2.56 0.04 -1.18 1.29 -0.02 -1.26 -0.65 135.00 135.78 2qtb n PRO 531 Ca -0.15 0.09 -0.34 0.00 -2.02 0.00 0.00 63.50 61.08 2qtb n PRO 531 Cb 0.53 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.76 2qtb n PRO 531 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qtb n PRO 532 N -3.23 0.27 -4.06 0.52 -0.02 -1.26 -2.53 135.00 124.70 2qtb n PRO 532 Ca 0.13 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 2qtb n PRO 532 Cb 0.51 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.04 -1.89 -1.64 6.00 8.25 -1.26 -4.83 115.22 116.80 2qtb n HIS 533 Ca 0.13 0.79 -0.43 0.00 -0.26 0.00 0.00 57.72 57.95 2qtb n HIS 533 Cb 0.50 -3.19 -0.01 0.00 1.12 0.00 0.00 29.99 28.41 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 -4.41 1.67 -3.79 4.41 7.35 -1.05 -4.99 117.46 116.65 2qtb n PHE 534 Ca 0.06 0.63 -0.29 0.00 -0.76 0.00 0.00 57.45 57.09 2qtb n PHE 534 Cb 0.50 -2.31 -0.16 0.00 0.35 0.00 0.00 39.48 37.86 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 -0.48 3.46 0.00 -2.13 3.68 -1.26 -4.99 116.67 114.95 2qtb s ASP 535 Ca 0.58 -1.13 0.02 0.00 2.13 0.00 0.00 52.55 54.15 2qtb s ASP 535 Cb -0.63 -0.83 0.13 0.00 -1.45 0.00 0.00 42.92 40.14 2qtb s ASP 535 CO 0.61 -0.31 0.73 2.29 0.13 0.00 0.00 175.17 178.62 2qtb n LYS 536 N 4.89 0.06 0.00 4.34 2.85 -1.26 -0.87 118.16 128.17 2qtb n LYS 536 Ca -0.08 0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.42 2qtb n LYS 536 Cb 0.45 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.63 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 -1.12 1.98 -4.79 -5.58 3.41 -1.26 -4.39 113.62 101.87 2qtb n SER 537 Ca 0.01 -1.57 -0.22 0.00 -0.26 0.00 0.00 58.87 56.83 2qtb n SER 537 Cb 0.01 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.13 2.50 -0.35 4.33 1.02 -0.05 -5.06 119.74 120.00 2qtb s LYS 538 Ca 0.30 -1.47 -0.09 0.00 0.02 0.00 0.00 55.97 54.73 2qtb s LYS 538 Cb 0.20 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.25 2qtb s LYS 538 CO 0.38 0.07 0.16 0.15 -0.92 0.00 0.00 175.35 175.20 2qtb s LYS 539 N -3.92 2.90 -0.03 1.68 -0.14 -1.26 -4.20 119.74 114.77 2qtb s LYS 539 Ca 0.40 -1.02 -0.02 0.00 -1.36 0.00 0.00 55.97 53.97 2qtb s LYS 539 Cb -0.03 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.47 2qtb s LYS 539 CO 0.24 -0.62 0.13 0.71 -0.76 0.00 0.00 175.35 175.05 2qtb s TYR 540 N 1.53 3.43 0.51 3.18 2.02 0.31 -4.54 117.35 123.79 2qtb s TYR 540 Ca 0.02 0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.82 2qtb s TYR 540 Cb -0.19 -1.80 -0.07 0.00 -0.40 0.00 0.00 41.96 39.50 2qtb s TYR 540 CO 0.05 0.61 1.12 -1.25 -1.57 0.00 0.00 175.55 174.51 2qtb s PRO 541 N -1.68 3.57 -0.05 -1.71 0.04 -1.26 -1.26 135.00 132.64 2qtb s PRO 541 Ca 0.23 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.92 2qtb s PRO 541 Cb -0.12 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2qtb s PRO 541 CO 0.14 -0.67 -0.23 -1.17 0.04 0.00 0.00 177.00 175.11 2qtb s LEU 542 N -3.51 2.04 -0.24 -3.56 0.20 -0.25 -1.93 118.68 111.41 2qtb s LEU 542 Ca 0.69 -0.47 -0.02 0.00 0.69 0.00 0.00 54.13 55.01 2qtb s LEU 542 Cb -0.23 -1.28 0.02 0.00 -0.43 0.00 0.00 46.19 44.26 2qtb s LEU 542 CO 0.27 0.23 -0.05 -0.22 -0.29 0.00 0.00 176.35 176.29 2qtb s LEU 543 N -0.16 3.15 -0.36 -0.68 2.96 0.61 -0.24 118.68 123.95 2qtb s LEU 543 Ca -0.03 -0.75 -0.23 0.00 -0.22 0.00 0.00 54.13 52.90 2qtb s LEU 543 Cb -0.13 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2qtb s LEU 543 CO 0.03 -0.11 0.79 -0.22 -1.32 0.00 0.00 176.35 175.52 2qtb s LEU 544 N 1.37 4.13 -0.40 -0.68 2.96 0.78 -0.74 118.68 126.10 2qtb s LEU 544 Ca 0.02 0.37 -0.20 0.00 -0.22 0.00 0.00 54.13 54.10 2qtb s LEU 544 Cb -0.16 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.51 2qtb s LEU 544 CO -0.04 -0.73 0.60 -0.62 -1.32 0.00 0.00 176.35 174.24 2qtb s ASP 545 N 1.83 6.33 0.10 3.68 -1.08 0.22 -1.37 116.67 126.39 2qtb s ASP 545 Ca 0.32 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.24 2qtb s ASP 545 Cb -0.13 -2.30 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2qtb s ASP 545 CO 0.17 -0.66 -0.22 0.54 0.52 0.00 0.00 175.17 175.52 2qtb s VAL 546 N 2.65 1.79 0.00 1.11 0.11 -0.23 -4.29 120.40 121.54 2qtb s VAL 546 Ca 0.21 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2qtb s VAL 546 Cb -0.15 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 2qtb s VAL 546 CO 0.16 -0.03 0.00 0.00 -3.33 0.00 0.00 175.10 171.91 2qtb n TYR 547 N 1.09 0.00 -1.80 1.54 4.19 -1.26 -4.06 117.16 116.85 2qtb n TYR 547 Ca -0.19 0.00 -0.18 0.00 3.31 0.00 0.00 57.90 60.84 2qtb n TYR 547 Cb 0.53 0.18 -0.05 0.00 0.49 0.00 0.00 39.34 40.49 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 -1.93 -0.36 -1.73 2.98 0.00 -1.26 -3.17 120.51 115.04 2qtb n ALA 548 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 2qtb n ALA 548 Cb 0.00 -1.85 0.16 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.60 1.67 0.19 0.00 0.00 -1.26 -4.87 107.32 100.45 2qtb s GLY 549 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 44.72 43.50 2qtb s GLY 549 CO 0.00 -0.23 1.71 2.56 0.00 0.00 0.00 173.10 177.15 2qtb s PRO 550 N -5.63 4.14 -1.30 2.90 0.04 -1.26 -1.94 135.00 131.94 2qtb s PRO 550 Ca 0.69 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.30 2qtb s PRO 550 Cb -0.08 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2qtb s PRO 550 CO 0.53 -0.74 0.00 0.00 0.04 0.00 0.00 177.00 176.82 2qtb s SER 552 N -2.75 5.34 -0.25 0.00 1.04 -0.82 -3.83 113.70 112.44 2qtb s SER 552 Ca 0.00 0.92 -0.02 0.00 0.48 0.00 0.00 55.95 57.33 2qtb s SER 552 Cb 0.00 -1.73 0.13 0.00 0.10 0.00 0.00 66.02 64.52 2qtb s SER 552 CO 0.00 -1.34 0.37 -1.58 0.98 0.00 0.00 173.24 171.67 2qtb s GLN 553 N -5.26 0.35 0.00 4.02 0.74 -1.26 -0.96 119.66 117.29 2qtb s GLN 553 Ca 0.57 0.45 0.16 0.00 0.05 0.00 0.00 55.36 56.59 2qtb s GLN 553 Cb -0.11 -0.50 0.02 0.00 1.10 0.00 0.00 33.01 33.52 2qtb s GLN 553 CO 0.49 -0.70 0.86 1.63 -0.55 0.00 0.00 175.29 177.02 2qtb n LYS 554 N 5.36 1.64 -3.82 1.67 4.76 -1.26 -4.84 118.16 121.67 2qtb n LYS 554 Ca -0.03 -0.90 -0.36 0.00 -2.87 0.00 0.00 58.31 54.14 2qtb n LYS 554 Cb 0.50 -1.26 -0.13 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.75 2.98 0.25 7.82 0.00 -1.26 -4.79 121.76 125.01 2qtb s ALA 555 Ca 0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.14 2qtb s ALA 555 Cb 0.13 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 21.08 2qtb s ALA 555 CO 0.35 -1.42 0.36 -0.40 0.00 0.00 0.00 175.76 174.66 2qtb n ASP 556 N 4.69 -1.01 -1.72 0.00 5.68 -1.26 -4.40 116.55 118.53 2qtb n ASP 556 Ca -0.11 -2.33 0.02 0.00 -0.50 0.00 0.00 54.79 51.87 2qtb n ASP 556 Cb 0.43 1.87 0.33 0.00 -1.14 0.00 0.00 41.12 42.61 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 -0.41 2.74 -2.89 2.12 -2.24 -1.12 -4.94 114.28 107.53 2qtb n THR 557 Ca 0.00 -1.65 -0.39 0.00 -2.27 0.00 0.00 64.05 59.74 2qtb n THR 557 Cb 0.42 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.90 4.28 -0.20 2.28 1.01 -1.26 -1.55 120.40 122.07 2qtb s VAL 558 Ca 0.52 1.77 -0.22 0.00 0.00 0.00 0.00 61.98 64.05 2qtb s VAL 558 Cb 0.41 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2qtb s VAL 558 CO 0.13 0.39 0.69 0.12 0.00 0.00 0.00 175.10 176.42 2qtb s PHE 559 N -1.32 3.37 0.03 5.22 5.36 -0.02 -4.90 117.98 125.72 2qtb s PHE 559 Ca 0.41 1.00 0.05 0.00 -0.96 0.00 0.00 56.93 57.43 2qtb s PHE 559 Cb -0.22 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.57 2qtb s PHE 559 CO 0.26 -0.22 -0.14 1.03 -1.46 0.00 0.00 175.22 174.69 2qtb s ARG 560 N 2.09 0.98 -0.42 10.12 0.52 -1.26 -4.92 118.95 126.06 2qtb s ARG 560 Ca 0.31 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 2qtb s ARG 560 Cb -0.16 -0.98 0.11 0.00 0.52 0.00 0.00 34.95 34.45 2qtb s ARG 560 CO 0.10 0.25 0.20 -0.51 0.02 0.00 0.00 175.30 175.36 2qtb s LEU 561 N -0.95 5.12 0.00 2.53 1.43 -1.26 -4.88 118.68 120.67 2qtb s LEU 561 Ca 0.02 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 2qtb s LEU 561 Cb -0.07 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2qtb s LEU 561 CO 0.01 -0.48 0.00 -0.46 0.23 0.00 0.00 176.35 175.65 2qtb n ASN 562 N 4.36 0.00 -0.33 2.29 0.23 -1.26 -5.00 115.26 115.56 2qtb n ASN 562 Ca 0.00 -0.21 -0.02 0.00 -0.53 0.00 0.00 54.58 53.81 2qtb n ASN 562 Cb 0.41 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.21 1.10 -0.35 -2.53 7.01 -1.98 -1.37 115.95 118.05 2qtb h TRP 563 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2qtb h TRP 563 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.67 2qtb h TRP 563 CO 0.00 0.67 0.23 0.00 -2.79 0.00 0.00 178.44 176.55 2qtb h ALA 564 N 1.34 1.75 -0.10 2.65 0.00 -1.98 -1.15 119.26 121.77 2qtb h ALA 564 Ca 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qtb h ALA 564 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2qtb h ALA 564 CO -0.09 0.23 0.06 1.15 0.00 0.00 0.00 179.25 180.60 2qtb h THR 565 N 0.47 1.05 -0.12 0.00 2.02 -1.59 -0.74 112.91 114.01 2qtb h THR 565 Ca 0.13 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2qtb h THR 565 Cb -0.05 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2qtb h THR 565 CO -0.03 0.05 0.07 0.22 0.37 0.00 0.00 175.52 176.20 2qtb h TYR 566 N 0.10 0.17 -0.96 3.16 3.20 -1.33 0.14 116.97 121.44 2qtb h TYR 566 Ca 0.03 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2qtb h TYR 566 Cb 0.03 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 2qtb h TYR 566 CO -0.06 0.18 0.61 -0.07 -1.64 0.00 0.00 178.16 177.18 2qtb h LEU 567 N 0.10 0.94 0.00 2.82 3.38 -0.97 0.18 115.31 121.76 2qtb h LEU 567 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2qtb h LEU 567 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qtb h LEU 567 CO -0.01 0.56 -0.04 0.00 0.09 0.00 0.00 178.44 179.05 2qtb h ALA 568 N 1.47 -0.00 0.14 1.53 0.00 -0.99 -0.87 119.26 120.54 2qtb h ALA 568 Ca 0.44 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qtb h ALA 568 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qtb h ALA 568 CO -0.21 -0.03 -0.07 1.03 0.00 0.00 0.00 179.25 179.97 2qtb h SER 569 N -0.86 -0.16 0.05 0.00 0.87 -0.51 -2.03 113.55 110.91 2qtb h SER 569 Ca -0.01 -0.10 -0.25 0.00 -1.23 0.00 0.00 61.79 60.20 2qtb h SER 569 Cb 0.93 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2qtb h SER 569 CO 0.01 0.00 -1.34 0.74 -0.53 0.00 0.00 176.83 175.71 2qtb h THR 570 N -0.32 0.94 -0.02 2.23 2.02 -0.77 -3.39 112.91 113.61 2qtb h THR 570 Ca -0.02 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.90 2qtb h THR 570 Cb 0.25 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2qtb h THR 570 CO 0.03 0.52 0.00 -0.62 0.37 0.00 0.00 175.52 175.82 2qtb n GLU 571 N -4.17 1.64 -3.87 6.66 -0.58 -1.02 -4.95 120.64 114.36 2qtb n GLU 571 Ca -0.29 -0.94 -0.29 0.00 -0.42 0.00 0.00 57.16 55.23 2qtb n GLU 571 Cb 0.78 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 30.20 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 0.14 -4.21 -4.66 1.62 5.03 -0.76 -4.92 115.26 107.49 2qtb n ASN 572 Ca 0.19 -0.78 -0.35 0.00 0.87 0.00 0.00 54.58 54.51 2qtb n ASN 572 Cb 0.35 -3.94 -0.10 0.00 -1.02 0.00 0.00 39.78 35.07 2qtb n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qtb s ILE 573 N -3.37 4.48 -0.24 2.41 1.01 -0.38 -4.53 121.20 120.58 2qtb s ILE 573 Ca 0.55 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.78 2qtb s ILE 573 Cb -0.27 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 2qtb s ILE 573 CO 0.83 0.56 0.83 -0.63 0.00 0.00 0.00 174.94 176.52 2qtb s ILE 574 N -0.43 4.84 -0.33 2.92 1.01 -0.81 -3.48 121.20 124.92 2qtb s ILE 574 Ca 0.08 1.57 -0.09 0.00 0.00 0.00 0.00 60.65 62.21 2qtb s ILE 574 Cb -0.12 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.25 2qtb s ILE 574 CO 0.02 -0.06 0.15 -0.69 0.00 0.00 0.00 174.94 174.35 2qtb s VAL 575 N 2.78 4.32 0.21 2.92 1.01 -0.99 -0.29 120.40 130.37 2qtb s VAL 575 Ca 0.35 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.66 2qtb s VAL 575 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2qtb s VAL 575 CO 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 175.10 175.07 2qtb s ALA 576 N 1.53 3.11 0.01 5.51 0.00 0.08 -0.50 121.76 131.50 2qtb s ALA 576 Ca 0.02 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 2qtb s ALA 576 Cb -0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2qtb s ALA 576 CO 0.05 0.39 -0.00 -1.12 0.00 0.00 0.00 175.76 175.08 2qtb s SER 577 N -3.20 0.16 -0.01 0.00 0.01 -0.70 0.71 113.70 110.67 2qtb s SER 577 Ca 0.28 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.20 2qtb s SER 577 Cb -0.08 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.26 2qtb s SER 577 CO 0.18 -0.24 -0.01 0.12 0.41 0.00 0.00 173.24 173.70 2qtb s PHE 578 N -1.11 0.24 -0.50 2.43 5.36 -1.26 -1.78 117.98 121.36 2qtb s PHE 578 Ca -0.12 -0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 55.73 2qtb s PHE 578 Cb -0.07 -0.23 0.13 0.00 -0.34 0.00 0.00 43.02 42.50 2qtb s PHE 578 CO -0.01 -0.05 0.38 -0.51 -1.46 0.00 0.00 175.22 173.58 2qtb s ASP 579 N 0.35 5.77 0.00 6.13 1.01 -0.68 -4.84 116.67 124.41 2qtb s ASP 579 Ca -0.03 -1.97 0.00 0.00 0.71 0.00 0.00 52.55 51.25 2qtb s ASP 579 Cb -0.06 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.84 2qtb s ASP 579 CO -0.01 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.29 2qtb n GLY 580 N 4.84 2.08 3.71 0.21 0.00 -1.26 -4.14 105.19 110.64 2qtb n GLY 580 Ca -0.07 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 2.27 0.00 1.61 1.74 -1.26 -1.70 116.66 119.32 2qtb n ARG 581 Ca 0.00 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 2qtb n ARG 581 Cb 0.00 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 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 0.89 3.33 3.75 -0.13 0.00 0.88 -4.15 105.19 109.76 2qtb n GLY 582 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.39 4.31 0.56 1.61 1.04 -0.69 -0.23 113.70 119.92 2qtb s SER 583 Ca 0.00 1.89 0.08 0.00 0.48 0.00 0.00 55.95 58.40 2qtb s SER 583 Cb 0.00 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.67 2qtb s SER 583 CO 0.00 -2.17 0.63 0.61 0.98 0.00 0.00 173.24 173.29 2qtb n GLY 584 N -0.94 2.29 2.41 7.32 0.00 -0.13 -3.51 105.19 112.63 2qtb n GLY 584 Ca 0.10 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.05 -0.07 -1.79 1.61 4.01 -1.26 -4.84 117.16 112.77 2qtb n TYR 585 Ca 0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.86 2qtb n TYR 585 Cb 0.60 -2.65 0.04 0.00 -0.31 0.00 0.00 39.34 37.03 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 -2.56 0.37 0.00 -0.72 6.02 -1.26 -4.50 117.38 114.73 2qtb n GLN 586 Ca -0.15 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.30 2qtb n GLN 586 Cb 0.50 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 31.01 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 -0.36 1.26 0.22 1.08 0.00 -1.26 -4.62 105.19 101.50 2qtb n GLY 587 Ca 0.05 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.60 1.61 3.32 -0.93 -2.28 116.42 117.55 2qtb h ASP 588 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2qtb h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2qtb h ASP 588 CO 0.00 0.27 0.22 0.50 -1.72 0.00 0.00 179.24 178.51 2qtb h LYS 589 N 0.00 0.38 0.08 3.56 1.63 -1.86 0.25 116.57 120.61 2qtb h LYS 589 Ca -0.00 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.64 2qtb h LYS 589 Cb 0.60 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2qtb h LYS 589 CO 0.03 0.25 -0.62 0.82 -3.45 0.00 0.00 179.45 176.49 2qtb h ILE 590 N 0.40 1.52 -0.03 2.00 2.04 -1.79 -3.26 117.51 118.39 2qtb h ILE 590 Ca 0.30 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2qtb h ILE 590 Cb 0.38 3.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.61 2qtb h ILE 590 CO -0.31 0.65 0.02 -0.03 0.00 0.00 0.00 178.15 178.48 2qtb h MET 591 N -0.63 0.04 -0.02 2.37 4.05 -1.16 0.26 114.93 119.84 2qtb h MET 591 Ca -0.12 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 2qtb h MET 591 Cb 1.40 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 2qtb h MET 591 CO 0.06 0.05 0.00 0.72 0.23 0.00 0.00 176.91 177.97 2qtb n HIS 592 N -5.06 0.02 0.28 1.39 8.25 0.85 -3.95 115.22 117.00 2qtb n HIS 592 Ca -0.07 -0.01 0.13 0.00 -0.26 0.00 0.00 57.72 57.51 2qtb n HIS 592 Cb 0.04 0.00 0.79 0.00 1.12 0.00 0.00 29.99 31.95 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 3.30 1.57 -0.67 -1.41 0.00 -1.50 -1.55 119.26 119.00 2qtb h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qtb h ALA 593 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qtb h ALA 593 CO 0.00 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.74 2qtb n ILE 594 N -3.96 1.56 -1.65 0.00 -5.35 -1.25 -4.92 119.36 103.79 2qtb n ILE 594 Ca -0.03 -1.14 -0.51 0.00 -0.27 0.00 0.00 62.75 60.80 2qtb n ILE 594 Cb 0.13 0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.23 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 1.27 2.42 -0.18 7.28 4.05 -0.59 0.19 115.26 129.69 2qtb n ASN 595 Ca 0.25 1.08 -0.02 0.00 0.45 0.00 0.00 54.58 56.34 2qtb n ASN 595 Cb 0.80 -1.27 -0.01 0.00 1.23 0.00 0.00 39.78 40.53 2qtb n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qtb n ARG 596 N 3.83 -1.85 -2.60 1.20 1.74 0.34 -4.84 116.66 114.48 2qtb n ARG 596 Ca 0.20 0.56 -0.11 0.00 -0.77 0.00 0.00 57.85 57.74 2qtb n ARG 596 Cb 0.22 -4.99 0.03 0.00 -1.02 0.00 0.00 32.46 26.70 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 0.43 2.04 -1.99 5.56 3.00 0.13 -4.88 116.66 120.95 2qtb n ARG 597 Ca -0.02 -3.66 -0.37 0.00 -0.01 0.00 0.00 57.85 53.79 2qtb n ARG 597 Cb 0.50 -1.67 0.03 0.00 0.00 0.00 0.00 32.46 31.32 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 -3.49 3.76 0.00 0.55 1.43 -1.23 -2.97 118.68 116.73 2qtb s LEU 598 Ca 0.34 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 2qtb s LEU 598 Cb 0.40 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2qtb s LEU 598 CO -0.02 -1.50 0.00 0.61 0.23 0.00 0.00 176.35 175.67 2qtb n GLY 599 N 0.57 0.58 0.00 -3.19 0.00 -1.26 -4.84 105.19 97.05 2qtb n GLY 599 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.76 0.00 -0.20 2.61 -2.24 -1.16 -4.76 114.28 105.77 2qtb n THR 600 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2qtb n THR 600 Cb 0.00 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.85 0.00 4.78 0.04 -1.93 0.29 116.94 120.96 2qtb h PHE 601 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2qtb h PHE 601 Cb 0.00 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 2qtb h PHE 601 CO 0.00 0.48 -0.04 1.05 -0.60 0.00 0.00 178.31 179.20 2qtb h GLU 602 N 0.86 0.00 0.03 1.51 9.09 -1.90 0.13 114.58 124.31 2qtb h GLU 602 Ca 0.31 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.58 2qtb h GLU 602 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 2qtb h GLU 602 CO -0.09 0.04 -0.68 0.28 0.05 0.00 0.00 179.01 178.60 2qtb h VAL 603 N 0.00 1.39 -0.59 -1.06 2.07 -1.32 -3.27 116.25 113.47 2qtb h VAL 603 Ca -0.00 -2.33 -0.02 0.00 0.82 0.00 0.00 66.70 65.17 2qtb h VAL 603 Cb 0.61 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 2qtb h VAL 603 CO 0.01 0.55 0.31 -0.33 0.02 0.00 0.00 177.57 178.13 2qtb h GLU 604 N -0.82 0.84 -0.30 1.57 5.08 -0.96 -2.45 114.58 117.54 2qtb h GLU 604 Ca -0.16 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2qtb h GLU 604 Cb 1.28 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2qtb h GLU 604 CO -0.03 0.65 0.20 -0.44 -1.00 0.00 0.00 179.01 178.39 2qtb h ASP 605 N 0.81 0.33 -0.46 1.42 3.32 -1.12 0.24 116.42 120.95 2qtb h ASP 605 Ca 0.21 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 2qtb h ASP 605 Cb 0.07 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2qtb h ASP 605 CO -0.03 0.23 0.01 -0.61 -1.72 0.00 0.00 179.24 177.12 2qtb h GLN 606 N 0.38 0.81 -0.25 3.56 5.75 -1.50 0.26 115.11 124.13 2qtb h GLN 606 Ca 0.11 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 2qtb h GLN 606 Cb -0.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2qtb h GLN 606 CO -0.03 0.86 0.02 0.82 -2.65 0.00 0.00 178.83 177.85 2qtb h ILE 607 N 0.66 1.25 -0.28 2.39 2.04 -0.74 -2.59 117.51 120.24 2qtb h ILE 607 Ca 0.13 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2qtb h ILE 607 Cb 0.49 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2qtb h ILE 607 CO 0.02 0.27 0.15 -0.08 0.00 0.00 0.00 178.15 178.51 2qtb h GLU 608 N 0.22 0.38 -0.62 2.37 4.57 -0.37 -1.88 114.58 119.25 2qtb h GLU 608 Ca 0.07 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2qtb h GLU 608 Cb 0.38 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2qtb h GLU 608 CO 0.01 0.29 0.02 0.00 -1.18 0.00 0.00 179.01 178.15 2qtb h ALA 609 N 1.78 0.86 -0.62 2.92 0.00 -0.15 -1.51 119.26 122.53 2qtb h ALA 609 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2qtb h ALA 609 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qtb h ALA 609 CO -0.02 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.17 2qtb h ALA 610 N 1.02 0.80 0.32 0.00 0.00 -0.99 -0.25 119.26 120.16 2qtb h ALA 610 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qtb h ALA 610 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2qtb h ALA 610 CO 0.03 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.42 2qtb h ARG 611 N 0.85 -0.56 -0.92 0.00 3.08 -1.20 0.75 114.38 116.39 2qtb h ARG 611 Ca 0.21 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.46 2qtb h ARG 611 Cb 0.17 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 2qtb h ARG 611 CO -0.02 -0.37 0.50 1.96 -1.07 0.00 0.00 179.97 180.97 2qtb h GLN 612 N -0.58 0.65 -0.21 0.04 1.08 -1.09 0.24 115.11 115.24 2qtb h GLN 612 Ca -0.02 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.03 2qtb h GLN 612 Cb 0.50 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2qtb h GLN 612 CO -0.01 0.43 -0.32 0.74 -0.95 0.00 0.00 178.83 178.72 2qtb h PHE 613 N 0.67 0.50 -0.11 2.96 0.04 -0.40 -2.81 116.94 117.77 2qtb h PHE 613 Ca 0.52 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 61.18 2qtb h PHE 613 Cb 0.78 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2qtb h PHE 613 CO -0.06 0.70 0.04 0.77 -0.60 0.00 0.00 178.31 179.16 2qtb h SER 614 N 0.37 0.05 0.06 2.17 0.02 0.18 -1.38 113.55 115.03 2qtb h SER 614 Ca 0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2qtb h SER 614 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2qtb h SER 614 CO 0.06 0.05 0.00 0.29 -1.14 0.00 0.00 176.83 176.08 2qtb n LYS 615 N -5.06 0.01 0.07 3.45 5.02 -0.51 -2.09 118.16 119.05 2qtb n LYS 615 Ca -0.05 0.42 0.11 0.00 -2.02 0.00 0.00 58.31 56.78 2qtb n LYS 615 Cb 0.05 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.01 2qtb n LYS 615 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2qtb n MET 616 N -1.45 0.13 0.00 1.97 2.81 -0.52 -4.92 117.12 115.14 2qtb n MET 616 Ca 0.01 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 2qtb n MET 616 Cb 0.02 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 2qtb n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qtb n GLY 617 N 0.51 2.60 1.29 3.03 0.00 -0.89 -4.87 105.19 106.86 2qtb n GLY 617 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2qtb n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qtb n PHE 618 N -2.00 1.43 -5.13 1.61 1.16 -1.26 -4.73 117.46 108.54 2qtb n PHE 618 Ca 0.00 -1.10 -0.29 0.00 -1.87 0.00 0.00 57.45 54.19 2qtb n PHE 618 Cb 0.00 -0.46 -0.16 0.00 -1.61 0.00 0.00 39.48 37.25 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 -2.96 1.83 -0.63 1.97 1.01 -1.26 -0.53 120.40 119.83 2qtb s VAL 619 Ca 0.47 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 2qtb s VAL 619 Cb 0.39 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 35.29 2qtb s VAL 619 CO 0.09 0.51 1.00 -0.62 0.00 0.00 0.00 175.10 176.08 2qtb s ASP 620 N -0.34 6.24 0.27 3.32 -1.08 -0.39 -4.69 116.67 119.99 2qtb s ASP 620 Ca 0.03 -0.66 0.16 0.00 -0.52 0.00 0.00 52.55 51.56 2qtb s ASP 620 Cb -0.11 -2.44 0.87 0.00 -1.46 0.00 0.00 42.92 39.78 2qtb s ASP 620 CO 0.01 -1.41 1.46 0.59 0.52 0.00 0.00 175.17 176.34 2qtb n ASN 621 N 7.83 0.41 0.08 -0.34 5.03 -1.26 -0.64 115.26 126.37 2qtb n ASN 621 Ca -0.01 0.66 0.12 0.00 0.87 0.00 0.00 54.58 56.23 2qtb n ASN 621 Cb 0.47 -0.69 0.20 0.00 -1.02 0.00 0.00 39.78 38.73 2qtb n ASN 621 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2qtb h LYS 622 N 0.00 0.00 -2.14 3.52 1.57 -1.93 -3.39 116.57 114.20 2qtb h LYS 622 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2qtb h LYS 622 Cb 0.15 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.05 2qtb h LYS 622 CO 0.00 0.00 -0.78 0.54 -0.57 0.00 0.00 179.45 178.64 2qtb n ARG 623 N -2.21 2.07 -3.99 3.15 1.74 0.19 -4.80 116.66 112.81 2qtb n ARG 623 Ca 0.03 -4.24 -0.34 0.00 -0.77 0.00 0.00 57.85 52.53 2qtb n ARG 623 Cb 0.45 -1.95 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 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 -2.46 2.82 0.37 0.55 1.01 -1.26 -1.10 121.20 121.14 2qtb s ILE 624 Ca 0.40 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.42 2qtb s ILE 624 Cb 0.19 -2.27 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 2qtb s ILE 624 CO -0.06 0.45 0.03 0.00 0.00 0.00 0.00 174.94 175.36 2qtb s ALA 625 N 1.39 3.25 -0.02 9.38 0.00 0.67 -0.36 121.76 136.06 2qtb s ALA 625 Ca 0.05 -2.09 -0.06 0.00 0.00 0.00 0.00 51.96 49.86 2qtb s ALA 625 Cb -0.14 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2qtb s ALA 625 CO -0.07 -0.02 0.13 -1.50 0.00 0.00 0.00 175.76 174.30 2qtb s ILE 626 N -2.59 0.05 -0.00 0.00 2.07 -0.91 -0.15 121.20 119.66 2qtb s ILE 626 Ca 0.36 -0.37 -0.26 0.00 -1.41 0.00 0.00 60.65 58.97 2qtb s ILE 626 Cb 0.03 -0.32 0.06 0.00 0.13 0.00 0.00 42.46 42.36 2qtb s ILE 626 CO 0.19 -0.21 0.58 -1.66 -1.91 0.00 0.00 174.94 171.94 2qtb s TRP 627 N -0.69 -0.52 -0.03 3.50 1.48 -0.47 -1.48 118.94 120.73 2qtb s TRP 627 Ca -0.08 0.76 -0.30 0.00 -1.06 0.00 0.00 56.10 55.42 2qtb s TRP 627 Cb -0.05 0.36 0.11 0.00 -1.16 0.00 0.00 33.47 32.73 2qtb s TRP 627 CO 0.01 -0.61 0.98 0.20 -4.06 0.00 0.00 176.95 173.47 2qtb s GLY 628 N -1.56 -0.40 0.01 3.67 0.00 -0.95 -1.07 107.32 107.02 2qtb s GLY 628 Ca -0.09 1.05 0.09 0.00 0.00 0.00 0.00 44.72 45.77 2qtb s GLY 628 CO 0.04 0.34 -0.26 0.86 0.00 0.00 0.00 173.10 174.08 2qtb s TRP 629 N -2.95 2.28 0.00 1.90 -0.11 -1.26 -1.90 118.94 116.90 2qtb s TRP 629 Ca 0.07 -0.42 0.00 0.00 1.22 0.00 0.00 56.10 56.97 2qtb s TRP 629 Cb -0.01 -1.41 0.00 0.00 -1.50 0.00 0.00 33.47 30.55 2qtb s TRP 629 CO -0.07 0.05 0.00 0.45 -4.62 0.00 0.00 176.95 172.76 2qtb n SER 630 N 2.10 0.00 0.16 5.86 2.88 -0.59 -0.46 113.62 123.57 2qtb n SER 630 Ca -0.16 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.44 2qtb n SER 630 Cb 0.52 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.53 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 0.20 -0.68 0.66 5.03 -1.85 -0.38 116.97 119.94 2qtb h TYR 631 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2qtb h TYR 631 Cb 0.00 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 2qtb h TYR 631 CO 0.00 0.13 0.43 0.78 -1.32 0.00 0.00 178.16 178.18 2qtb h GLY 632 N 0.21 0.98 1.16 1.82 0.00 -0.72 -0.88 103.07 105.64 2qtb h GLY 632 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2qtb h GLY 632 CO -0.01 0.38 0.29 -1.33 0.00 0.00 0.00 176.54 175.87 2qtb h GLY 633 N 0.93 1.15 0.87 4.60 0.00 -0.77 -0.12 103.07 109.73 2qtb h GLY 633 Ca 0.25 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2qtb h GLY 633 CO -0.05 0.58 -0.16 -1.82 0.00 0.00 0.00 176.54 175.09 2qtb h TYR 634 N 1.05 -0.41 -0.54 5.60 3.20 -1.00 -1.07 116.97 123.80 2qtb h TYR 634 Ca 0.24 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 2qtb h TYR 634 Cb 0.20 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 2qtb h TYR 634 CO 0.02 -0.17 0.32 0.28 -1.64 0.00 0.00 178.16 176.97 2qtb h VAL 635 N -0.57 1.04 -0.23 1.81 2.07 -0.94 0.26 116.25 119.68 2qtb h VAL 635 Ca -0.04 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2qtb h VAL 635 Cb 0.42 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2qtb h VAL 635 CO 0.07 0.11 -0.11 0.74 0.02 0.00 0.00 177.57 178.41 2qtb h THR 636 N 0.63 0.66 -0.53 2.57 2.02 -0.96 0.15 112.91 117.44 2qtb h THR 636 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 2qtb h THR 636 Cb 0.04 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2qtb h THR 636 CO -0.11 0.00 0.24 0.28 0.37 0.00 0.00 175.52 176.30 2qtb h SER 637 N -0.08 0.71 -0.84 4.18 0.02 -0.49 0.21 113.55 117.26 2qtb h SER 637 Ca 0.12 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2qtb h SER 637 Cb 0.26 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2qtb h SER 637 CO -0.28 0.66 0.44 0.24 -1.14 0.00 0.00 176.83 176.74 2qtb h MET 638 N 0.71 1.19 -0.10 3.45 2.86 0.03 -0.92 114.93 122.16 2qtb h MET 638 Ca 0.18 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2qtb h MET 638 Cb 0.15 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2qtb h MET 638 CO -0.02 0.90 -0.02 0.28 1.06 0.00 0.00 176.91 179.10 2qtb h VAL 639 N 1.19 1.29 0.00 -2.22 2.07 -0.29 -1.81 116.25 116.48 2qtb h VAL 639 Ca 0.29 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2qtb h VAL 639 Cb 0.07 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2qtb h VAL 639 CO -0.04 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 2qtb h LEU 640 N -0.14 0.00 -2.50 2.57 3.38 -0.40 -1.65 115.31 116.57 2qtb h LEU 640 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qtb h LEU 640 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2qtb h LEU 640 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2qtb n GLY 641 N -1.09 2.06 0.16 0.83 0.00 -0.37 -4.39 105.19 102.39 2qtb n GLY 641 Ca -0.03 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 4.41 0.00 -0.32 1.61 4.64 -0.43 -3.42 113.55 120.04 2qtb h SER 642 Ca 0.00 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2qtb h SER 642 Cb 0.99 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 2qtb h SER 642 CO 0.00 0.00 -0.09 0.61 -0.87 0.00 0.00 176.83 176.48 2qtb n GLY 643 N 1.21 0.60 0.25 -0.77 0.00 -1.26 -4.93 105.19 100.29 2qtb n GLY 643 Ca 0.05 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.91 -3.46 113.55 114.42 2qtb h SER 644 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2qtb h SER 644 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2qtb h SER 644 CO 0.14 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2qtb n GLY 645 N 0.10 1.19 0.22 -0.77 0.00 -1.26 -4.88 105.19 99.79 2qtb n GLY 645 Ca 0.00 0.00 -0.16 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 1.30 -2.77 1.61 2.07 -1.97 -3.45 116.25 113.04 2qtb h VAL 646 Ca 0.00 -1.99 -0.65 0.00 0.82 0.00 0.00 66.70 64.88 2qtb h VAL 646 Cb 0.00 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2qtb h VAL 646 CO 0.00 0.63 -0.49 -0.36 0.02 0.00 0.00 177.57 177.37 2qtb s PHE 647 N -3.74 3.56 -0.10 1.57 0.08 -1.26 -4.62 117.98 113.47 2qtb s PHE 647 Ca -0.09 0.40 -0.14 0.00 0.12 0.00 0.00 56.93 57.22 2qtb s PHE 647 Cb 0.09 -1.85 -0.28 0.00 -0.57 0.00 0.00 43.02 40.41 2qtb s PHE 647 CO 0.89 0.67 0.54 -0.22 -0.10 0.00 0.00 175.22 177.01 2qtb h LYS 648 N 4.10 0.28 -3.65 0.44 3.64 -1.01 -3.46 116.57 116.90 2qtb h LYS 648 Ca -0.50 -0.47 -0.07 0.00 -1.27 0.00 0.00 60.65 58.34 2qtb h LYS 648 Cb 1.20 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 33.11 2qtb h LYS 648 CO 0.66 1.23 -0.11 0.00 -2.27 0.00 0.00 179.45 178.96 2qtb s GLY 650 N -3.03 -0.49 -0.13 0.00 0.00 -0.10 -2.15 107.32 101.44 2qtb s GLY 650 Ca 0.23 1.10 0.02 0.00 0.00 0.00 0.00 44.72 46.06 2qtb s GLY 650 CO 0.10 0.49 -0.17 -0.42 0.00 0.00 0.00 173.10 173.10 2qtb s ILE 651 N -2.68 1.67 -0.21 0.90 1.01 -0.55 -1.77 121.20 119.57 2qtb s ILE 651 Ca 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 2qtb s ILE 651 Cb -0.01 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2qtb s ILE 651 CO -0.06 0.47 -0.06 0.00 0.00 0.00 0.00 174.94 175.30 2qtb s ALA 652 N 1.04 2.77 -0.19 9.38 0.00 -0.45 -2.24 121.76 132.07 2qtb s ALA 652 Ca -0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 2qtb s ALA 652 Cb -0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2qtb s ALA 652 CO -0.04 -0.35 -0.05 0.08 0.00 0.00 0.00 175.76 175.40 2qtb s VAL 653 N 1.34 3.52 -1.30 0.00 1.01 -0.80 -1.39 120.40 122.78 2qtb s VAL 653 Ca 0.04 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2qtb s VAL 653 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2qtb s VAL 653 CO -0.03 0.46 0.53 0.00 0.00 0.00 0.00 175.10 176.05 2qtb n ALA 654 N 4.19 -2.33 -1.88 5.51 0.00 0.12 -1.54 120.51 124.59 2qtb n ALA 654 Ca -0.18 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 2qtb n ALA 654 Cb 0.52 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 -6.77 3.64 0.13 0.00 0.04 -1.26 -3.10 135.00 127.67 2qtb s PRO 655 Ca 0.27 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 2qtb s PRO 655 Cb -0.12 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 2qtb s PRO 655 CO 0.92 -0.52 0.60 0.08 0.04 0.00 0.00 177.00 178.12 2qtb s VAL 656 N -3.10 4.74 0.00 -0.36 1.01 -1.25 -4.53 120.40 116.91 2qtb s VAL 656 Ca 0.55 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2qtb s VAL 656 Cb -0.11 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2qtb s VAL 656 CO 0.51 0.37 0.00 -1.54 0.00 0.00 0.00 175.10 174.45 2qtb n SER 657 N 1.19 4.98 -3.68 3.32 3.41 -1.26 -4.21 113.62 117.37 2qtb n SER 657 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 2qtb n SER 657 Cb 0.51 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 65.15 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 -1.99 0.51 0.56 4.33 1.70 -1.26 -0.43 118.95 122.36 2qtb s ARG 658 Ca 0.00 0.92 0.25 0.00 -0.47 0.00 0.00 55.73 56.43 2qtb s ARG 658 Cb 0.00 0.05 1.53 0.00 -0.57 0.00 0.00 34.95 35.96 2qtb s ARG 658 CO 0.00 -0.15 2.13 -1.49 -1.08 0.00 0.00 175.30 174.71 2qtb h TRP 659 N 6.95 0.00 0.00 5.89 4.06 -1.87 -0.93 115.95 130.05 2qtb h TRP 659 Ca -0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 2qtb h TRP 659 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2qtb h TRP 659 CO 0.19 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.46 2qtb n GLU 660 N -4.13 0.09 0.02 0.49 1.02 -1.26 -1.89 120.64 114.98 2qtb n GLU 660 Ca 0.01 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.70 2qtb n GLU 660 Cb 0.26 -1.71 0.13 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.89 0.19 -2.65 -0.32 4.01 -0.35 -3.78 117.16 112.36 2qtb n TYR 661 Ca 0.01 0.06 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 2qtb n TYR 661 Cb 0.13 -0.36 0.03 0.00 -0.31 0.00 0.00 39.34 38.83 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 -3.09 3.00 0.67 -0.72 5.04 -0.79 -4.81 117.35 116.64 2qtb s TYR 662 Ca 0.08 0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.74 2qtb s TYR 662 Cb 0.16 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.78 2qtb s TYR 662 CO 0.75 -0.80 1.12 0.16 -1.34 0.00 0.00 175.55 175.43 2qtb s ASP 663 N -4.37 5.02 0.10 4.32 1.47 -1.26 -0.97 116.67 120.98 2qtb s ASP 663 Ca 0.55 2.02 -0.29 0.00 1.18 0.00 0.00 52.55 56.01 2qtb s ASP 663 Cb -0.10 -2.55 -0.11 0.00 -0.34 0.00 0.00 42.92 39.81 2qtb s ASP 663 CO 0.40 -1.69 1.63 0.77 0.68 0.00 0.00 175.17 176.96 2qtb h SER 664 N -0.04 -0.77 -0.18 2.11 4.64 -0.92 -1.62 113.55 116.77 2qtb h SER 664 Ca -0.47 0.07 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2qtb h SER 664 Cb 1.25 0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 63.55 2qtb h SER 664 CO 0.54 -0.40 -0.17 0.58 -0.87 0.00 0.00 176.83 176.51 2qtb h VAL 665 N -0.57 0.54 0.29 0.95 2.07 -1.94 0.93 116.25 118.51 2qtb h VAL 665 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qtb h VAL 665 Cb 0.54 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2qtb h VAL 665 CO -0.08 0.00 -0.14 0.22 0.02 0.00 0.00 177.57 177.59 2qtb h TYR 666 N -0.19 -0.36 0.07 1.57 5.03 -1.93 -3.10 116.97 118.07 2qtb h TYR 666 Ca 0.11 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.43 2qtb h TYR 666 Cb 0.36 0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.73 2qtb h TYR 666 CO -0.31 -0.02 -0.18 1.15 -1.32 0.00 0.00 178.16 177.48 2qtb h THR 667 N -0.94 0.57 0.00 1.81 2.02 -1.27 -2.46 112.91 112.64 2qtb h THR 667 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2qtb h THR 667 Cb 0.50 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2qtb h THR 667 CO 0.06 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.57 2qtb h GLU 668 N -0.34 0.00 -0.55 6.66 5.08 -0.96 0.42 114.58 124.88 2qtb h GLU 668 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2qtb h GLU 668 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2qtb h GLU 668 CO -0.12 0.06 0.24 -0.09 -1.00 0.00 0.00 179.01 178.10 2qtb h ARG 669 N 0.00 0.79 0.00 2.33 2.43 -1.36 0.44 114.38 119.01 2qtb h ARG 669 Ca -0.00 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 2qtb h ARG 669 Cb 0.20 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2qtb h ARG 669 CO 0.01 0.63 -1.88 0.66 -1.51 0.00 0.00 179.97 177.88 2qtb n TYR 670 N -4.35 0.00 0.41 2.20 4.01 -0.85 -4.62 117.16 113.95 2qtb n TYR 670 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.83 2qtb n TYR 670 Cb 0.14 -0.52 -0.01 0.00 -0.31 0.00 0.00 39.34 38.64 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 -2.26 2.60 0.00 -0.72 2.81 0.08 0.13 117.12 119.77 2qtb n MET 671 Ca -0.11 -0.44 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 2qtb n MET 671 Cb 0.64 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 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 0.94 -0.03 3.83 3.03 0.00 0.14 -4.66 105.19 108.44 2qtb n GLY 672 Ca 0.03 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 4.44 -0.93 0.99 1.43 -1.26 -4.34 118.68 119.01 2qtb s LEU 673 Ca 0.00 1.17 -0.08 0.00 -1.03 0.00 0.00 54.13 54.19 2qtb s LEU 673 Cb 0.00 -3.05 -0.16 0.00 0.03 0.00 0.00 46.19 43.01 2qtb s LEU 673 CO 0.00 0.20 3.24 -0.81 0.23 0.00 0.00 176.35 179.21 2qtb n PRO 674 N 1.32 2.99 -4.36 1.29 -0.04 -1.26 -1.66 135.00 133.28 2qtb n PRO 674 Ca -0.08 -1.72 -0.21 0.00 -0.04 0.00 0.00 63.50 61.45 2qtb n PRO 674 Cb 0.51 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 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 1.58 1.92 0.41 0.52 -4.23 -1.26 -4.60 115.64 109.98 2qtb s THR 675 Ca 0.68 -2.08 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 2qtb s THR 675 Cb 0.24 -1.98 0.31 0.00 1.34 0.00 0.00 72.50 72.41 2qtb s THR 675 CO -0.04 -0.40 1.98 1.55 -0.54 0.00 0.00 174.62 177.17 2qtb h PRO 676 N 2.90 0.51 0.00 3.99 0.13 -1.96 0.03 132.00 137.61 2qtb h PRO 676 Ca -0.41 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2qtb h PRO 676 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qtb h PRO 676 CO 0.55 0.34 0.00 0.39 -0.23 0.00 0.00 178.00 179.05 2qtb n GLU 677 N -4.48 0.12 0.00 0.86 4.71 -1.26 -4.68 120.64 115.91 2qtb n GLU 677 Ca 0.09 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 2qtb n GLU 677 Cb 0.30 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 2qtb n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qtb n ASP 678 N -1.42 0.00 -0.52 1.62 -0.08 -0.10 -5.04 116.55 111.01 2qtb n ASP 678 Ca 0.07 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.41 2qtb n ASP 678 Cb 0.22 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.79 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 0.00 1.44 -0.24 1.67 5.15 -0.66 -4.86 115.26 117.76 2qtb n ASN 679 Ca 0.00 -2.87 0.03 0.00 -0.60 0.00 0.00 54.58 51.13 2qtb n ASN 679 Cb 0.00 -0.38 0.15 0.00 -0.53 0.00 0.00 39.78 39.02 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 0.40 0.33 -0.87 1.20 5.85 -1.38 -1.80 115.31 119.04 2qtb h LEU 680 Ca -0.04 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.88 2qtb h LEU 680 Cb 1.23 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2qtb h LEU 680 CO 0.02 0.17 0.51 0.44 -0.34 0.00 0.00 178.44 179.23 2qtb h ASP 681 N 0.49 0.71 0.67 1.25 3.32 -1.89 0.50 116.42 121.47 2qtb h ASP 681 Ca 0.37 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.32 2qtb h ASP 681 Cb 0.48 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2qtb h ASP 681 CO -0.34 0.38 -0.73 -0.74 -1.72 0.00 0.00 179.24 176.09 2qtb h HIS 682 N 0.81 0.07 -0.40 4.55 2.76 -1.72 -1.58 115.15 119.64 2qtb h HIS 682 Ca 0.44 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.60 2qtb h HIS 682 Cb 0.45 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2qtb h HIS 682 CO -0.05 0.76 0.21 1.88 -1.30 0.00 0.00 177.93 179.43 2qtb h TYR 683 N 0.03 0.39 0.00 5.26 0.05 -0.55 -1.55 116.97 120.60 2qtb h TYR 683 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qtb h TYR 683 Cb 1.29 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2qtb h TYR 683 CO 0.01 0.21 0.00 0.00 -1.05 0.00 0.00 178.16 177.33 2qtb h ARG 684 N 0.43 0.00 0.00 4.88 2.47 -0.80 -3.24 114.38 118.12 2qtb h ARG 684 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2qtb h ARG 684 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2qtb h ARG 684 CO -0.10 0.00 -0.96 -1.71 0.56 0.00 0.00 179.97 177.75 2qtb n ASN 685 N -2.50 0.64 -1.48 7.04 4.05 -0.61 -4.29 115.26 118.10 2qtb n ASN 685 Ca 0.04 -0.31 -0.03 0.00 0.45 0.00 0.00 54.58 54.73 2qtb n ASN 685 Cb 0.37 0.76 0.25 0.00 1.23 0.00 0.00 39.78 42.39 2qtb n ASN 685 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2qtb n SER 686 N -1.85 3.84 -4.87 1.20 3.41 -0.65 -5.00 113.62 109.70 2qtb n SER 686 Ca 0.03 -3.35 -0.31 0.00 -0.26 0.00 0.00 58.87 54.98 2qtb n SER 686 Cb 0.41 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.05 4.80 0.13 6.66 -4.23 -1.26 -4.81 115.64 113.89 2qtb s THR 687 Ca 0.49 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 61.52 2qtb s THR 687 Cb 0.41 -3.69 -0.09 0.00 1.34 0.00 0.00 72.50 70.46 2qtb s THR 687 CO 0.08 -0.38 1.41 0.58 -0.54 0.00 0.00 174.62 175.78 2qtb h VAL 688 N 1.41 1.28 -0.79 2.29 2.07 -1.09 -3.29 116.25 118.13 2qtb h VAL 688 Ca -0.47 -1.77 0.13 0.00 0.82 0.00 0.00 66.70 65.41 2qtb h VAL 688 Cb 1.18 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 2qtb h VAL 688 CO 0.65 0.57 0.52 0.24 0.02 0.00 0.00 177.57 179.57 2qtb h MET 689 N 0.62 0.55 0.00 1.57 2.86 -1.91 -1.43 114.93 117.18 2qtb h MET 689 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2qtb h MET 689 Cb 1.18 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2qtb h MET 689 CO 0.12 0.36 0.00 -1.13 1.06 0.00 0.00 176.91 177.32 2qtb n SER 690 N -4.51 0.00 -0.79 1.22 3.41 -1.24 -2.17 113.62 109.55 2qtb n SER 690 Ca 0.15 0.31 0.07 0.00 -0.26 0.00 0.00 58.87 59.13 2qtb n SER 690 Cb 0.45 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 64.20 2qtb n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qtb n ARG 691 N -1.40 2.92 -0.29 4.33 1.74 -0.54 -4.71 116.66 118.71 2qtb n ARG 691 Ca 0.05 -2.26 0.11 0.00 -0.77 0.00 0.00 57.85 54.98 2qtb n ARG 691 Cb 0.14 -1.41 0.27 0.00 -1.02 0.00 0.00 32.46 30.44 2qtb n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qtb h ALA 692 N 2.29 1.26 -0.81 7.54 0.00 -1.51 -1.05 119.26 126.98 2qtb h ALA 692 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2qtb h ALA 692 Cb 0.89 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2qtb h ALA 692 CO 0.04 -0.38 0.53 1.49 0.00 0.00 0.00 179.25 180.93 2qtb h GLU 693 N 0.30 0.81 0.00 0.00 4.57 -1.86 -1.62 114.58 116.78 2qtb h GLU 693 Ca 0.52 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 2qtb h GLU 693 Cb 0.99 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2qtb h GLU 693 CO -0.57 0.53 0.00 -0.91 -1.18 0.00 0.00 179.01 176.88 2qtb h ASN 694 N 0.83 0.00 0.21 1.04 2.35 -1.44 -2.90 115.58 115.66 2qtb h ASN 694 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2qtb h ASN 694 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2qtb h ASN 694 CO -0.14 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.13 2qtb n PHE 695 N -2.69 0.00 0.25 1.19 3.72 -0.61 -1.92 117.46 117.40 2qtb n PHE 695 Ca 0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2qtb n PHE 695 Cb 0.24 -0.28 0.61 0.00 -0.94 0.00 0.00 39.48 39.11 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 -0.00 -1.08 1.57 -1.69 -2.92 116.57 112.45 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2qtb h LYS 696 CO 0.00 0.13 -0.02 1.04 -0.57 0.00 0.00 179.45 180.04 2qtb n GLN 697 N -3.35 0.32 -4.23 3.15 6.02 -0.81 -4.93 117.38 113.55 2qtb n GLN 697 Ca -0.00 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.83 2qtb n GLN 697 Cb 0.34 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.69 0.08 -0.25 5.09 -7.23 -1.10 -4.95 120.40 109.36 2qtb s VAL 698 Ca 0.24 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2qtb s VAL 698 Cb 0.20 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2qtb s VAL 698 CO 0.49 0.00 0.13 -1.61 -0.31 0.00 0.00 175.10 173.80 2qtb s GLU 699 N -4.03 3.91 -0.04 4.82 2.02 -0.89 -4.98 118.70 119.51 2qtb s GLU 699 Ca 0.39 -0.35 0.06 0.00 0.02 0.00 0.00 54.97 55.08 2qtb s GLU 699 Cb 0.06 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 2qtb s GLU 699 CO 0.15 -0.05 -0.21 -0.47 0.02 0.00 0.00 175.26 174.70 2qtb s TYR 700 N 1.32 2.02 -0.17 1.61 5.04 -1.26 -0.92 117.35 124.99 2qtb s TYR 700 Ca 0.06 -0.52 0.01 0.00 -2.44 0.00 0.00 57.07 54.18 2qtb s TYR 700 Cb -0.15 -1.33 0.03 0.00 0.35 0.00 0.00 41.96 40.86 2qtb s TYR 700 CO 0.06 -0.14 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.81 2qtb s LEU 701 N -0.21 1.99 -0.19 6.97 2.96 -0.73 -0.04 118.68 129.43 2qtb s LEU 701 Ca 0.00 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 2qtb s LEU 701 Cb -0.11 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 2qtb s LEU 701 CO 0.02 -0.06 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.74 2qtb s LEU 702 N 1.40 3.19 -0.02 -0.68 2.96 0.15 -1.34 118.68 124.34 2qtb s LEU 702 Ca 0.03 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2qtb s LEU 702 Cb -0.14 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 2qtb s LEU 702 CO -0.11 0.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.27 2qtb s ILE 703 N 0.83 0.88 -0.25 6.68 1.01 -0.48 -1.37 121.20 128.51 2qtb s ILE 703 Ca -0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 2qtb s ILE 703 Cb -0.14 -0.75 0.06 0.00 0.01 0.00 0.00 42.46 41.64 2qtb s ILE 703 CO 0.02 0.26 0.67 -2.28 0.00 0.00 0.00 174.94 173.60 2qtb s HIS 704 N -0.11 -0.73 0.17 3.97 2.46 -0.87 0.14 115.29 120.32 2qtb s HIS 704 Ca 0.02 1.79 -0.28 0.00 0.47 0.00 0.00 55.06 57.06 2qtb s HIS 704 Cb -0.06 0.25 -0.08 0.00 -0.13 0.00 0.00 32.58 32.56 2qtb s HIS 704 CO -0.00 -0.35 0.86 0.20 -2.47 0.00 0.00 174.74 172.98 2qtb s GLY 705 N 0.36 2.99 0.54 1.59 0.00 -1.26 -1.44 107.32 110.08 2qtb s GLY 705 Ca -0.00 0.47 0.33 0.00 0.00 0.00 0.00 44.72 45.52 2qtb s GLY 705 CO 0.01 1.09 1.96 -0.91 0.00 0.00 0.00 173.10 175.25 2qtb h THR 706 N 3.46 0.00 -0.63 0.90 1.35 -1.35 -3.12 112.91 113.52 2qtb h THR 706 Ca -0.45 -0.53 -0.33 0.00 -0.55 0.00 0.00 66.41 64.54 2qtb h THR 706 Cb 1.20 1.52 -0.20 0.00 -1.73 0.00 0.00 68.15 68.95 2qtb h THR 706 CO 0.68 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 176.16 2qtb n ALA 707 N -2.08 4.90 -2.24 6.62 0.00 -0.24 -4.75 120.51 122.72 2qtb n ALA 707 Ca 0.01 -3.08 -0.42 0.00 0.00 0.00 0.00 53.44 49.95 2qtb n ALA 707 Cb 0.32 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.07 6.10 0.08 0.00 -1.08 -1.15 -4.26 116.67 114.30 2qtb s ASP 708 Ca 0.50 0.81 0.26 0.00 -0.52 0.00 0.00 52.55 53.59 2qtb s ASP 708 Cb 0.44 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 40.04 2qtb s ASP 708 CO 0.04 -1.63 1.57 -0.90 0.52 0.00 0.00 175.17 174.77 2qtb n ASP 709 N 9.65 0.52 0.00 -0.34 5.75 -1.26 -3.97 116.55 126.89 2qtb n ASP 709 Ca 0.18 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 2qtb n ASP 709 Cb 0.48 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.85 0.00 -4.36 -1.12 2.85 -1.26 -4.75 115.26 104.76 2qtb n ASN 710 Ca 0.05 0.10 -0.45 0.00 -0.11 0.00 0.00 54.58 54.17 2qtb n ASN 710 Cb 0.39 -0.26 -0.06 0.00 1.24 0.00 0.00 39.78 41.09 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 -0.53 5.06 0.41 3.44 1.01 -1.26 -4.84 120.40 123.69 2qtb s VAL 711 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 2qtb s VAL 711 Cb 0.00 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 2qtb s VAL 711 CO 0.00 -0.87 1.46 1.41 0.00 0.00 0.00 175.10 177.10 2qtb n HIS 712 N 5.68 2.87 -0.38 5.22 8.25 -1.25 -4.72 115.22 130.88 2qtb n HIS 712 Ca -0.11 0.45 0.34 0.00 -0.26 0.00 0.00 57.72 58.13 2qtb n HIS 712 Cb 0.42 -2.50 0.68 0.00 1.12 0.00 0.00 29.99 29.71 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 2.68 0.25 -1.02 4.41 3.57 -1.79 0.44 116.94 125.48 2qtb h PHE 713 Ca -0.51 0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.34 2qtb h PHE 713 Cb 1.25 -0.07 -0.15 0.00 2.79 0.00 0.00 35.95 39.77 2qtb h PHE 713 CO 0.52 -0.01 0.58 0.37 -2.23 0.00 0.00 178.31 177.53 2qtb h GLN 714 N 0.12 0.26 -0.82 1.11 4.15 -1.94 0.04 115.11 118.03 2qtb h GLN 714 Ca 0.65 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 60.04 2qtb h GLN 714 Cb 2.27 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 29.86 2qtb h GLN 714 CO -0.14 0.17 0.45 1.96 -1.93 0.00 0.00 178.83 179.34 2qtb h GLN 715 N 0.26 1.14 0.00 1.69 4.20 -0.42 -1.31 115.11 120.68 2qtb h GLN 715 Ca 0.76 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 59.19 2qtb h GLN 715 Cb 1.80 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 2qtb h GLN 715 CO -0.62 0.84 -0.82 0.77 -0.67 0.00 0.00 178.83 178.33 2qtb h SER 716 N 1.14 0.00 -0.01 1.46 0.02 -1.21 -3.03 113.55 111.91 2qtb h SER 716 Ca 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2qtb h SER 716 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2qtb h SER 716 CO -0.05 0.64 -0.12 0.00 -1.14 0.00 0.00 176.83 176.17 2qtb h ALA 717 N 1.36 1.47 0.00 3.77 0.00 -0.83 -0.64 119.26 124.39 2qtb h ALA 717 Ca -0.04 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 2qtb h ALA 717 Cb 1.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2qtb h ALA 717 CO 0.08 0.37 -0.91 1.96 0.00 0.00 0.00 179.25 180.75 2qtb h GLN 718 N 0.27 0.00 -0.14 0.00 1.08 -1.24 -2.63 115.11 112.45 2qtb h GLN 718 Ca 0.05 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2qtb h GLN 718 Cb 0.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2qtb h GLN 718 CO 0.02 0.91 -0.12 0.82 -0.95 0.00 0.00 178.83 179.51 2qtb h ILE 719 N 0.00 1.34 -0.45 2.54 2.04 -1.29 -2.18 117.51 119.51 2qtb h ILE 719 Ca -0.01 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 2qtb h ILE 719 Cb 1.67 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 2qtb h ILE 719 CO 0.12 0.36 0.21 0.77 0.00 0.00 0.00 178.15 179.62 2qtb h SER 720 N -0.05 0.60 -0.60 1.72 4.64 -1.21 -1.28 113.55 117.37 2qtb h SER 720 Ca 0.02 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2qtb h SER 720 Cb 0.63 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2qtb h SER 720 CO 0.03 0.56 0.37 0.50 -0.87 0.00 0.00 176.83 177.43 2qtb h LYS 721 N 0.59 0.72 -0.50 4.77 3.64 -1.49 0.51 116.57 124.82 2qtb h LYS 721 Ca 0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2qtb h LYS 721 Cb 0.13 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2qtb h LYS 721 CO -0.02 0.48 0.19 0.00 -2.27 0.00 0.00 179.45 177.83 2qtb h ALA 722 N 1.25 1.39 -0.13 5.00 0.00 -1.08 0.95 119.26 126.64 2qtb h ALA 722 Ca 0.23 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2qtb h ALA 722 Cb -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qtb h ALA 722 CO -0.09 0.46 -0.72 -0.07 0.00 0.00 0.00 179.25 178.83 2qtb h LEU 723 N 0.72 0.71 -0.56 0.00 3.38 -0.49 -2.86 115.31 116.20 2qtb h LEU 723 Ca 0.17 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2qtb h LEU 723 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qtb h LEU 723 CO -0.01 1.21 0.01 0.58 0.09 0.00 0.00 178.44 180.31 2qtb h VAL 724 N 0.42 1.26 0.00 1.22 2.07 -0.46 -0.55 116.25 120.22 2qtb h VAL 724 Ca -0.03 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2qtb h VAL 724 Cb 1.31 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2qtb h VAL 724 CO 0.14 0.40 -0.02 0.44 0.02 0.00 0.00 177.57 178.54 2qtb h ASP 725 N 0.87 0.00 -0.46 0.57 5.19 -0.70 -1.84 116.42 120.05 2qtb h ASP 725 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2qtb h ASP 725 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2qtb h ASP 725 CO 0.03 0.02 0.00 1.33 -3.12 0.00 0.00 179.24 177.50 2qtb n VAL 726 N -3.89 0.98 -2.99 -1.35 0.24 -1.09 -4.99 118.33 105.24 2qtb n VAL 726 Ca -0.03 -0.99 -0.11 0.00 -2.04 0.00 0.00 64.34 61.17 2qtb n VAL 726 Cb 0.11 0.51 0.04 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.86 0.18 3.57 7.63 0.00 -0.69 -4.99 105.19 111.76 2qtb n GLY 727 Ca 0.15 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.16 4.62 0.28 1.61 1.01 -0.25 -5.04 120.40 119.47 2qtb s VAL 728 Ca 0.25 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 2qtb s VAL 728 Cb -0.11 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2qtb s VAL 728 CO 0.36 0.42 0.77 -0.62 0.00 0.00 0.00 175.10 176.04 2qtb s ASP 729 N 0.76 7.00 0.32 3.32 2.15 -1.26 -4.54 116.67 124.41 2qtb s ASP 729 Ca 0.03 1.45 -0.19 0.00 0.43 0.00 0.00 52.55 54.27 2qtb s ASP 729 Cb -0.13 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.09 2qtb s ASP 729 CO 0.02 -0.08 0.76 0.72 -0.17 0.00 0.00 175.17 176.42 2qtb s PHE 730 N -1.72 -0.05 -0.01 -5.34 -0.71 -1.26 -4.77 117.98 104.11 2qtb s PHE 730 Ca 0.49 -0.49 -0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2qtb s PHE 730 Cb -0.14 0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 42.39 2qtb s PHE 730 CO 0.20 -1.36 0.07 -0.65 -1.34 0.00 0.00 175.22 172.13 2qtb s GLN 731 N -3.20 3.03 0.06 1.99 -1.52 0.94 -5.02 119.66 115.93 2qtb s GLN 731 Ca 0.13 -0.50 -0.03 0.00 -1.95 0.00 0.00 55.36 53.01 2qtb s GLN 731 Cb -0.05 -2.84 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 2qtb s GLN 731 CO 0.09 0.65 0.04 0.00 -0.25 0.00 0.00 175.29 175.82 2qtb s ALA 732 N -1.17 0.22 -0.27 6.09 0.00 -1.26 -0.67 121.76 124.70 2qtb s ALA 732 Ca 0.22 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2qtb s ALA 732 Cb -0.12 0.31 0.09 0.00 0.00 0.00 0.00 23.12 23.41 2qtb s ALA 732 CO 0.13 -0.39 0.63 1.41 0.00 0.00 0.00 175.76 177.55 2qtb s MET 733 N -3.58 0.61 0.11 0.00 0.00 -0.47 -4.93 119.30 111.05 2qtb s MET 733 Ca 0.03 1.24 0.05 0.00 0.00 0.00 0.00 55.69 57.01 2qtb s MET 733 Cb 0.05 0.35 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 2qtb s MET 733 CO -0.09 -0.17 0.03 1.67 0.00 0.00 0.00 175.02 176.46 2qtb s TRP 734 N 2.05 3.01 -0.31 4.11 -2.14 -1.26 -2.05 118.94 122.36 2qtb s TRP 734 Ca -0.08 -0.03 0.03 0.00 2.66 0.00 0.00 56.10 58.68 2qtb s TRP 734 Cb -0.08 -1.52 0.08 0.00 -3.10 0.00 0.00 33.47 28.86 2qtb s TRP 734 CO -0.18 0.50 -0.02 0.71 -2.66 0.00 0.00 176.95 175.30 2qtb s TYR 735 N -1.46 3.53 -0.00 1.66 2.02 -0.52 -4.93 117.35 117.65 2qtb s TYR 735 Ca 0.27 -2.66 -0.36 0.00 -0.37 0.00 0.00 57.07 53.95 2qtb s TYR 735 Cb -0.11 -2.48 -0.14 0.00 -0.40 0.00 0.00 41.96 38.82 2qtb s TYR 735 CO 0.20 -0.92 1.62 2.41 -1.57 0.00 0.00 175.55 177.29 2qtb n THR 736 N 4.35 0.20 -1.46 -0.71 -1.04 -1.26 -1.79 114.28 112.56 2qtb n THR 736 Ca -0.04 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 2qtb n THR 736 Cb 0.42 -1.36 -0.07 0.00 -1.82 0.00 0.00 70.33 67.50 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 4.32 -5.56 -4.91 8.00 8.00 -1.26 -4.87 116.55 120.27 2qtb n ASP 737 Ca 0.21 0.40 -0.31 0.00 0.71 0.00 0.00 54.79 55.79 2qtb n ASP 737 Cb 0.23 -4.46 -0.04 0.00 -0.02 0.00 0.00 41.12 36.83 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 -3.34 3.56 0.00 -1.24 0.41 -0.97 -4.67 118.70 112.45 2qtb s GLU 738 Ca 0.00 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 2qtb s GLU 738 Cb 0.00 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 2qtb s GLU 738 CO 0.00 0.49 0.00 -0.40 -0.49 0.00 0.00 175.26 174.86 2qtb n ASP 739 N 0.02 0.17 0.31 -0.19 5.68 -1.26 -1.07 116.55 120.21 2qtb n ASP 739 Ca -0.03 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.45 2qtb n ASP 739 Cb 0.52 0.00 1.06 0.00 -1.14 0.00 0.00 41.12 41.56 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 -2.23 115.15 113.12 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 -0.82 0.78 -0.00 0.00 0.00 177.93 177.89 2qtb h GLY 741 N 0.00 0.00 -6.65 5.26 0.00 -1.99 -3.48 103.07 96.22 2qtb h GLY 741 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2qtb h GLY 741 CO -0.00 0.00 -0.77 1.39 0.00 0.00 0.00 176.54 177.16 2qtb n ILE 742 N -2.44 -0.71 1.08 2.60 5.41 -0.84 -4.80 119.36 119.66 2qtb n ILE 742 Ca 0.02 -0.36 0.12 0.00 1.00 0.00 0.00 62.75 63.53 2qtb n ILE 742 Cb 0.50 -0.76 0.15 0.00 -0.71 0.00 0.00 39.64 38.82 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 -3.83 2.77 -1.75 -1.39 0.00 -1.26 -3.79 120.51 111.26 2qtb n ALA 743 Ca -0.22 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.21 2qtb n ALA 743 Cb 0.54 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.16 2qtb n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qtb s SER 744 N -2.14 5.21 0.18 0.00 1.04 -1.26 -4.74 113.70 111.99 2qtb s SER 744 Ca 0.27 2.67 -0.17 0.00 0.48 0.00 0.00 55.95 59.20 2qtb s SER 744 Cb 0.20 -2.63 0.14 0.00 0.10 0.00 0.00 66.02 63.83 2qtb s SER 744 CO 0.38 -1.60 1.64 -1.28 0.98 0.00 0.00 173.24 173.36 2qtb h SER 745 N 1.28 -0.56 -0.27 7.02 0.87 -1.99 0.46 113.55 120.36 2qtb h SER 745 Ca -0.51 0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.16 2qtb h SER 745 Cb 1.30 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 2qtb h SER 745 CO 0.56 -0.19 -0.03 0.71 -0.53 0.00 0.00 176.83 177.35 2qtb h THR 746 N -0.05 1.27 -0.64 2.23 1.35 -1.98 -2.62 112.91 112.47 2qtb h THR 746 Ca 0.23 -1.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 2qtb h THR 746 Cb 0.40 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 2qtb h THR 746 CO -0.52 0.32 0.27 0.00 -0.25 0.00 0.00 175.52 175.33 2qtb h ALA 747 N 0.79 0.83 -0.02 6.62 0.00 -1.83 -0.03 119.26 125.63 2qtb h ALA 747 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2qtb h ALA 747 Cb 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qtb h ALA 747 CO 0.02 0.44 -0.08 1.25 0.00 0.00 0.00 179.25 180.88 2qtb h HIS 748 N 0.90 -0.20 -0.80 0.00 2.76 -0.90 0.24 115.15 117.16 2qtb h HIS 748 Ca 0.22 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2qtb h HIS 748 Cb 0.19 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 2qtb h HIS 748 CO 0.01 -0.12 0.33 1.96 -1.30 0.00 0.00 177.93 178.81 2qtb h GLN 749 N -0.13 1.19 -0.37 5.26 4.20 -1.28 -2.78 115.11 121.20 2qtb h GLN 749 Ca 0.04 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 2qtb h GLN 749 Cb 0.18 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2qtb h GLN 749 CO -0.10 0.95 0.10 1.25 -0.67 0.00 0.00 178.83 180.37 2qtb h HIS 750 N 1.16 0.61 -0.45 2.96 2.76 -0.23 -2.00 115.15 119.96 2qtb h HIS 750 Ca 0.27 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 2qtb h HIS 750 Cb 0.20 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 2qtb h HIS 750 CO 0.02 0.59 -0.21 0.97 -1.30 0.00 0.00 177.93 177.99 2qtb h ILE 751 N 0.45 1.27 -0.02 6.26 2.10 -0.48 -0.78 117.51 126.31 2qtb h ILE 751 Ca 0.12 -1.37 -0.11 0.00 1.08 0.00 0.00 64.86 64.57 2qtb h ILE 751 Cb 0.28 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2qtb h ILE 751 CO -0.00 0.47 -0.51 1.88 -1.08 0.00 0.00 178.15 178.90 2qtb h TYR 752 N 0.78 0.06 -0.25 2.19 0.05 -1.51 0.60 116.97 118.89 2qtb h TYR 752 Ca 0.10 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 2qtb h TYR 752 Cb 0.79 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2qtb h TYR 752 CO 0.06 0.55 -0.17 1.15 -1.05 0.00 0.00 178.16 178.70 2qtb h THR 753 N 0.04 1.31 -0.64 -2.88 2.02 -1.20 -1.60 112.91 109.96 2qtb h THR 753 Ca -0.00 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 2qtb h THR 753 Cb 0.92 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 2qtb h THR 753 CO 0.07 0.40 0.28 -0.74 0.37 0.00 0.00 175.52 175.90 2qtb h HIS 754 N 0.28 0.94 -0.14 3.16 -0.00 -0.86 -2.48 115.15 116.06 2qtb h HIS 754 Ca 0.05 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 2qtb h HIS 754 Cb 0.69 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2qtb h HIS 754 CO 0.07 0.73 -0.31 0.52 -0.00 0.00 0.00 177.93 178.93 2qtb h MET 755 N 0.88 0.28 -0.35 5.26 2.07 -0.84 -2.82 114.93 119.42 2qtb h MET 755 Ca 0.22 -0.11 -0.02 0.00 -2.07 0.00 0.00 59.70 57.72 2qtb h MET 755 Cb 0.16 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.86 2qtb h MET 755 CO -0.02 0.56 0.13 0.77 1.07 0.00 0.00 176.91 179.42 2qtb h SER 756 N 0.24 0.50 -0.58 1.22 0.02 -0.85 -1.18 113.55 112.92 2qtb h SER 756 Ca 0.03 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2qtb h SER 756 Cb 0.67 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2qtb h SER 756 CO 0.05 0.55 0.36 0.45 -1.14 0.00 0.00 176.83 177.10 2qtb h HIS 757 N 0.42 0.68 -0.19 3.45 3.86 -1.39 -0.32 115.15 121.66 2qtb h HIS 757 Ca 0.12 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2qtb h HIS 757 Cb 0.22 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2qtb h HIS 757 CO 0.00 0.40 0.12 0.35 0.86 0.00 0.00 177.93 179.66 2qtb h PHE 758 N 0.72 0.25 -0.24 2.45 3.57 -1.25 -0.49 116.94 121.95 2qtb h PHE 758 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2qtb h PHE 758 Cb -0.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2qtb h PHE 758 CO -0.05 0.19 0.10 0.82 -2.23 0.00 0.00 178.31 177.14 2qtb h ILE 759 N 0.24 1.17 -0.83 1.41 1.08 -0.97 -0.94 117.51 118.67 2qtb h ILE 759 Ca 0.07 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2qtb h ILE 759 Cb 0.01 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 2qtb h ILE 759 CO -0.01 0.17 0.47 0.11 -0.69 0.00 0.00 178.15 178.19 2qtb h LYS 760 N 0.24 1.14 -0.35 2.37 1.57 -0.98 -0.85 116.57 119.71 2qtb h LYS 760 Ca 0.08 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2qtb h LYS 760 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2qtb h LYS 760 CO -0.01 0.83 0.04 0.37 -0.57 0.00 0.00 179.45 180.11 2qtb h GLN 761 N 1.15 0.60 -0.19 3.15 -0.00 -0.93 0.51 115.11 119.39 2qtb h GLN 761 Ca 0.29 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.75 2qtb h GLN 761 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 2qtb h GLN 761 CO -0.05 0.68 0.02 0.00 0.00 0.00 0.00 178.83 179.48 2qtb n PHE 763 N -4.40 0.45 -3.63 0.00 3.72 -0.36 -4.95 117.46 108.29 2qtb n PHE 763 Ca -0.00 -0.22 -0.22 0.00 -0.05 0.00 0.00 57.45 56.96 2qtb n PHE 763 Cb 0.16 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.04 -2.78 -4.56 4.37 7.64 -0.15 -4.98 113.62 114.20 2qtb n SER 764 Ca 0.18 -0.71 -0.34 0.00 1.01 0.00 0.00 58.87 59.01 2qtb n SER 764 Cb 0.49 -4.53 -0.11 0.00 -1.01 0.00 0.00 64.21 59.05 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 -6.76 3.53 0.00 -3.43 1.43 0.16 -5.02 118.68 108.59 2qtb s LEU 765 Ca 0.19 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2qtb s LEU 765 Cb -0.09 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2qtb s LEU 765 CO 0.78 0.16 0.16 -2.65 0.23 0.00 0.00 176.35 175.03