#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt9 s ARG 40 N 0.00 3.90 0.92 -2.82 0.52 -1.26 -5.01 118.95 115.20 2qt9 s ARG 40 Ca 0.00 1.98 -0.12 0.00 -0.52 0.00 0.00 55.73 57.07 2qt9 s ARG 40 Cb 0.00 -2.63 0.14 0.00 0.52 0.00 0.00 34.95 32.98 2qt9 s ARG 40 CO 0.00 -0.50 1.10 -1.59 0.02 0.00 0.00 175.30 174.34 2qt9 s LYS 41 N -2.39 1.07 0.55 3.54 -2.85 -1.25 -4.61 119.74 113.81 2qt9 s LYS 41 Ca 0.59 0.58 0.07 0.00 -1.00 0.00 0.00 55.97 56.21 2qt9 s LYS 41 Cb -0.34 -1.81 0.05 0.00 -2.06 0.00 0.00 37.83 33.68 2qt9 s LYS 41 CO 0.43 -2.31 0.54 0.95 0.10 0.00 0.00 175.35 175.06 2qt9 s THR 42 N -3.05 1.84 -0.48 3.79 -4.23 -1.26 -0.73 115.64 111.53 2qt9 s THR 42 Ca 0.64 -1.32 -0.24 0.00 -1.18 0.00 0.00 61.69 59.59 2qt9 s THR 42 Cb -0.17 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.54 2qt9 s THR 42 CO 0.56 0.00 0.84 -0.47 -0.54 0.00 0.00 174.62 175.01 2qt9 s TYR 43 N -2.73 2.94 0.51 3.99 5.04 -1.26 -4.83 117.35 121.00 2qt9 s TYR 43 Ca 0.44 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 2qt9 s TYR 43 Cb -0.03 -3.81 0.02 0.00 0.35 0.00 0.00 41.96 38.48 2qt9 s TYR 43 CO 0.27 -1.09 0.73 0.95 -1.34 0.00 0.00 175.55 175.08 2qt9 s THR 44 N 3.50 3.35 0.23 4.34 -4.23 -1.26 -3.86 115.64 117.71 2qt9 s THR 44 Ca 0.31 -0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 2qt9 s THR 44 Cb -0.12 -3.25 0.21 0.00 1.34 0.00 0.00 72.50 70.68 2qt9 s THR 44 CO 0.22 -0.18 1.90 0.25 -0.54 0.00 0.00 174.62 176.27 2qt9 h LEU 45 N 0.21 0.99 -1.16 4.79 5.85 -1.96 -1.12 115.31 122.91 2qt9 h LEU 45 Ca -0.44 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 2qt9 h LEU 45 Cb 1.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2qt9 h LEU 45 CO 0.55 0.71 0.12 0.74 -0.34 0.00 0.00 178.44 180.22 2qt9 h THR 46 N 1.17 1.20 -0.47 1.05 2.02 -1.97 0.15 112.91 116.06 2qt9 h THR 46 Ca 0.33 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.81 2qt9 h THR 46 Cb -0.09 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qt9 h THR 46 CO -0.09 0.27 0.30 0.44 0.37 0.00 0.00 175.52 176.81 2qt9 h ASP 47 N 0.69 0.50 0.13 4.18 3.45 -1.61 0.39 116.42 124.16 2qt9 h ASP 47 Ca 0.16 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 2qt9 h ASP 47 Cb 0.25 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 2qt9 h ASP 47 CO -0.00 0.36 -0.06 0.22 -1.57 0.00 0.00 179.24 178.18 2qt9 h TYR 48 N 0.60 -0.16 0.00 4.55 3.20 -0.67 0.01 116.97 124.50 2qt9 h TYR 48 Ca 0.18 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2qt9 h TYR 48 Cb -0.04 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2qt9 h TYR 48 CO -0.05 0.14 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.42 2qt9 h LEU 49 N -0.48 0.00 -1.86 2.82 3.38 -0.54 -2.66 115.31 115.97 2qt9 h LEU 49 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qt9 h LEU 49 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2qt9 h LEU 49 CO 0.03 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.97 2qt9 n LYS 50 N -3.39 1.76 -3.90 1.13 4.76 0.14 -4.97 118.16 113.69 2qt9 n LYS 50 Ca -0.01 -1.72 -0.26 0.00 -2.87 0.00 0.00 58.31 53.45 2qt9 n LYS 50 Cb 0.31 -1.37 0.01 0.00 -1.84 0.00 0.00 35.03 32.13 2qt9 n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qt9 n ASN 51 N 1.08 -1.91 0.06 4.39 4.05 -0.09 -4.86 115.26 117.98 2qt9 n ASN 51 Ca 0.12 -0.90 0.00 0.00 0.45 0.00 0.00 54.58 54.25 2qt9 n ASN 51 Cb 0.48 -3.52 0.31 0.00 1.23 0.00 0.00 39.78 38.28 2qt9 n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2qt9 h THR 52 N -1.86 1.22 -3.69 -0.44 1.35 -1.60 -3.34 112.91 104.53 2qt9 h THR 52 Ca -0.61 -0.96 -0.76 0.00 -0.55 0.00 0.00 66.41 63.53 2qt9 h THR 52 Cb 1.37 1.22 -0.28 0.00 -1.73 0.00 0.00 68.15 68.73 2qt9 h THR 52 CO 0.63 0.30 -0.05 -0.31 -0.25 0.00 0.00 175.52 175.85 2qt9 s TYR 53 N -4.68 3.64 -0.10 4.73 2.02 -1.26 -5.05 117.35 116.65 2qt9 s TYR 53 Ca -0.06 -2.11 -0.29 0.00 -0.37 0.00 0.00 57.07 54.23 2qt9 s TYR 53 Cb 0.15 -3.66 -0.01 0.00 -0.40 0.00 0.00 41.96 38.03 2qt9 s TYR 53 CO 0.76 -0.96 0.98 0.50 -1.57 0.00 0.00 175.55 175.26 2qt9 s ARG 54 N 0.24 4.42 -0.05 -0.62 6.06 -1.26 -5.03 118.95 122.72 2qt9 s ARG 54 Ca 0.16 1.35 -0.29 0.00 -2.50 0.00 0.00 55.73 54.45 2qt9 s ARG 54 Cb -0.14 -3.53 -0.02 0.00 0.06 0.00 0.00 34.95 31.31 2qt9 s ARG 54 CO -0.07 -0.28 0.97 -1.17 -2.50 0.00 0.00 175.30 172.25 2qt9 s LEU 55 N 1.89 4.32 0.15 -0.88 2.96 -1.26 -4.75 118.68 121.10 2qt9 s LEU 55 Ca 0.47 1.58 -0.11 0.00 -0.22 0.00 0.00 54.13 55.85 2qt9 s LEU 55 Cb -0.18 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 2qt9 s LEU 55 CO 0.18 -0.32 0.50 -0.54 -1.32 0.00 0.00 176.35 174.85 2qt9 s LYS 56 N 1.39 3.85 0.35 1.98 1.02 -1.26 -5.09 119.74 121.99 2qt9 s LYS 56 Ca 0.50 0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.83 2qt9 s LYS 56 Cb -0.20 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2qt9 s LYS 56 CO 0.23 0.46 0.13 1.47 -0.92 0.00 0.00 175.35 176.72 2qt9 n LEU 57 N 0.56 0.00 -3.35 3.17 -0.00 -1.26 -4.87 117.00 111.26 2qt9 n LEU 57 Ca -0.04 -2.71 -0.24 0.00 -0.00 0.00 0.00 56.01 53.02 2qt9 n LEU 57 Cb 0.52 0.89 -0.09 0.00 -0.00 0.00 0.00 43.42 44.74 2qt9 n LEU 57 CO 0.43 -0.42 -0.25 -0.47 -0.00 0.00 0.00 177.39 176.68 2qt9 s TYR 58 N -2.88 0.50 -0.39 1.47 6.14 -1.26 -4.99 117.35 115.94 2qt9 s TYR 58 Ca 0.18 -1.73 -0.22 0.00 0.64 0.00 0.00 57.07 55.94 2qt9 s TYR 58 Cb 0.01 -0.71 0.01 0.00 0.42 0.00 0.00 41.96 41.69 2qt9 s TYR 58 CO 0.13 -0.90 0.72 -1.12 0.64 0.00 0.00 175.55 175.02 2qt9 s SER 59 N 0.63 6.45 0.30 4.32 0.01 -1.26 -5.04 113.70 119.11 2qt9 s SER 59 Ca 0.26 0.11 0.11 0.00 1.31 0.00 0.00 55.95 57.73 2qt9 s SER 59 Cb -0.07 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2qt9 s SER 59 CO -0.10 -0.73 -0.10 -1.48 0.41 0.00 0.00 173.24 171.23 2qt9 s LEU 60 N 2.98 2.81 -0.23 2.44 0.05 -1.26 -4.56 118.68 120.91 2qt9 s LEU 60 Ca 0.28 -0.98 0.00 0.00 0.05 0.00 0.00 54.13 53.48 2qt9 s LEU 60 Cb -0.13 -1.25 0.06 0.00 -2.05 0.00 0.00 46.19 42.81 2qt9 s LEU 60 CO 0.18 -0.06 -0.04 -0.13 -0.55 0.00 0.00 176.35 175.75 2qt9 s ARG 61 N -3.60 1.46 0.14 1.48 0.52 -0.39 -4.92 118.95 113.64 2qt9 s ARG 61 Ca 0.32 -0.91 -0.31 0.00 -0.52 0.00 0.00 55.73 54.31 2qt9 s ARG 61 Cb -0.03 -2.51 -0.10 0.00 0.52 0.00 0.00 34.95 32.83 2qt9 s ARG 61 CO 0.17 -0.61 1.60 -1.58 0.02 0.00 0.00 175.30 174.90 2qt9 s TRP 62 N 1.47 2.87 -0.44 -0.53 0.52 -1.26 -0.44 118.94 121.12 2qt9 s TRP 62 Ca -0.05 0.52 0.11 0.00 0.02 0.00 0.00 56.10 56.71 2qt9 s TRP 62 Cb -0.19 -3.95 -0.13 0.00 -1.15 0.00 0.00 33.47 28.05 2qt9 s TRP 62 CO -0.07 -3.60 0.44 0.44 0.02 0.00 0.00 176.95 174.18 2qt9 n ILE 63 N 4.19 0.00 -2.46 2.03 -5.35 0.02 -4.92 119.36 112.87 2qt9 n ILE 63 Ca 0.15 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2qt9 n ILE 63 Cb 0.39 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 2qt9 n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2qt9 n SER 64 N -1.38 0.00 -0.01 7.28 3.41 -1.14 -4.98 113.62 116.80 2qt9 n SER 64 Ca 0.01 -0.44 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 2qt9 n SER 64 Cb 0.20 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.65 2qt9 n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qt9 n ASP 65 N -0.46 0.20 0.00 4.04 2.03 -1.26 -2.28 116.55 118.83 2qt9 n ASP 65 Ca 0.00 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2qt9 n ASP 65 Cb 0.00 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 2qt9 n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2qt9 n HIS 66 N -1.45 0.00 -4.18 -0.67 -0.00 -1.26 -4.43 115.22 103.23 2qt9 n HIS 66 Ca 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.62 2qt9 n HIS 66 Cb 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.20 2qt9 n HIS 66 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2qt9 s GLU 67 N -0.08 0.72 0.06 -0.41 2.02 -1.26 -0.77 118.70 118.99 2qt9 s GLU 67 Ca 0.00 -0.78 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 2qt9 s GLU 67 Cb 0.00 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.54 2qt9 s GLU 67 CO 0.00 0.15 -0.04 1.52 0.02 0.00 0.00 175.26 176.91 2qt9 s TYR 68 N -1.11 0.57 -0.05 1.61 -0.85 -1.04 -0.80 117.35 115.68 2qt9 s TYR 68 Ca -0.03 -0.95 -0.05 0.00 -0.52 0.00 0.00 57.07 55.52 2qt9 s TYR 68 Cb -0.09 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 2qt9 s TYR 68 CO 0.01 -0.30 0.17 -0.51 -1.52 0.00 0.00 175.55 173.40 2qt9 s LEU 69 N -2.72 4.38 -0.06 -3.49 1.43 0.41 -0.75 118.68 117.87 2qt9 s LEU 69 Ca 0.05 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2qt9 s LEU 69 Cb 0.05 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.87 2qt9 s LEU 69 CO -0.08 0.32 0.14 -0.47 0.23 0.00 0.00 176.35 176.49 2qt9 s TYR 70 N -1.22 -0.16 -0.21 0.29 5.04 -0.14 -1.26 117.35 119.69 2qt9 s TYR 70 Ca 0.23 0.42 -0.20 0.00 -2.44 0.00 0.00 57.07 55.08 2qt9 s TYR 70 Cb -0.12 -0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.15 2qt9 s TYR 70 CO 0.13 -0.12 0.59 0.21 -1.34 0.00 0.00 175.55 175.03 2qt9 s LYS 71 N 0.60 4.19 -0.04 4.97 2.20 -1.26 -0.48 119.74 129.91 2qt9 s LYS 71 Ca -0.04 0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 56.09 2qt9 s LYS 71 Cb -0.06 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2qt9 s LYS 71 CO -0.03 -0.23 0.08 -1.14 -0.36 0.00 0.00 175.35 173.67 2qt9 s GLN 72 N 1.90 -0.02 -1.61 4.03 0.74 -0.39 -4.81 119.66 119.51 2qt9 s GLN 72 Ca 0.27 0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.98 2qt9 s GLN 72 Cb -0.16 -0.31 0.00 0.00 1.10 0.00 0.00 33.01 33.64 2qt9 s GLN 72 CO 0.10 -0.23 0.44 0.39 -0.55 0.00 0.00 175.29 175.44 2qt9 n GLU 73 N 4.67 -4.00 -0.18 1.67 1.02 -1.26 -1.64 120.64 120.92 2qt9 n GLU 73 Ca -0.17 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 2qt9 n GLU 73 Cb 0.50 -5.73 0.00 0.00 -0.02 0.00 0.00 31.44 26.19 2qt9 n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qt9 n ASN 74 N -2.34 0.00 -4.92 1.62 5.03 -1.26 -4.83 115.26 108.56 2qt9 n ASN 74 Ca -0.15 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 54.99 2qt9 n ASN 74 Cb 0.64 -0.94 -0.04 0.00 -1.02 0.00 0.00 39.78 38.41 2qt9 n ASN 74 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2qt9 s ASN 75 N -2.80 6.38 -0.32 6.41 4.22 -0.65 -4.43 114.94 123.75 2qt9 s ASN 75 Ca 0.00 0.32 -0.21 0.00 -2.14 0.00 0.00 52.86 50.82 2qt9 s ASN 75 Cb 0.00 -1.98 -0.00 0.00 1.28 0.00 0.00 41.25 40.55 2qt9 s ASN 75 CO 0.00 0.14 0.69 -0.63 -2.04 0.00 0.00 177.10 175.26 2qt9 s ILE 76 N -1.56 4.87 0.11 0.54 1.01 -0.13 -1.26 121.20 124.79 2qt9 s ILE 76 Ca 0.36 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.95 2qt9 s ILE 76 Cb -0.13 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2qt9 s ILE 76 CO 0.28 -0.22 0.19 -0.76 0.00 0.00 0.00 174.94 174.42 2qt9 s LEU 77 N 2.77 4.12 -0.16 2.97 1.02 0.36 0.86 118.68 130.61 2qt9 s LEU 77 Ca 0.28 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.53 2qt9 s LEU 77 Cb -0.14 -2.73 0.00 0.00 0.02 0.00 0.00 46.19 43.34 2qt9 s LEU 77 CO 0.13 0.11 -0.16 0.54 0.02 0.00 0.00 176.35 176.99 2qt9 s VAL 78 N -1.60 2.57 0.05 -1.59 0.11 0.12 -0.97 120.40 119.08 2qt9 s VAL 78 Ca 0.33 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 2qt9 s VAL 78 Cb -0.12 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2qt9 s VAL 78 CO 0.26 0.51 0.10 -0.36 -3.33 0.00 0.00 175.10 172.28 2qt9 s PHE 79 N 0.94 3.27 -0.39 1.54 0.08 0.07 -1.60 117.98 121.89 2qt9 s PHE 79 Ca -0.03 0.15 -0.16 0.00 0.12 0.00 0.00 56.93 57.01 2qt9 s PHE 79 Cb -0.15 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2qt9 s PHE 79 CO -0.02 0.54 0.36 1.21 -0.10 0.00 0.00 175.22 177.21 2qt9 s ASN 80 N -2.19 6.16 0.24 1.36 3.84 0.85 -2.50 114.94 122.69 2qt9 s ASN 80 Ca 0.28 -0.57 -0.06 0.00 0.21 0.00 0.00 52.86 52.73 2qt9 s ASN 80 Cb -0.12 -2.19 0.35 0.00 -0.55 0.00 0.00 41.25 38.73 2qt9 s ASN 80 CO 0.20 -0.44 1.82 0.00 -2.79 0.00 0.00 177.10 175.89 2qt9 h ALA 81 N 8.60 1.11 -0.32 1.71 0.00 -1.26 0.53 119.26 129.63 2qt9 h ALA 81 Ca -0.28 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2qt9 h ALA 81 Cb 1.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2qt9 h ALA 81 CO 0.73 0.12 0.13 1.49 0.00 0.00 0.00 179.25 181.71 2qt9 h GLU 82 N 0.80 0.27 0.00 0.00 4.81 -1.93 -3.32 114.58 115.19 2qt9 h GLU 82 Ca 0.37 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2qt9 h GLU 82 Cb 0.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2qt9 h GLU 82 CO -0.22 0.18 -1.28 0.66 -0.73 0.00 0.00 179.01 177.62 2qt9 n TYR 83 N -5.00 0.00 -0.55 0.92 0.53 -1.16 -5.01 117.16 106.89 2qt9 n TYR 83 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2qt9 n TYR 83 Cb 0.10 -0.20 0.00 0.00 -1.03 0.00 0.00 39.34 38.21 2qt9 n TYR 83 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qt9 n GLY 84 N 1.69 0.91 3.85 2.72 0.00 0.18 -5.04 105.19 109.51 2qt9 n GLY 84 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2qt9 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt9 s ASN 85 N -3.02 4.73 0.17 1.61 4.22 -1.25 -4.71 114.94 116.70 2qt9 s ASN 85 Ca 0.00 1.08 -0.04 0.00 -2.14 0.00 0.00 52.86 51.77 2qt9 s ASN 85 Cb 0.00 -1.77 0.01 0.00 1.28 0.00 0.00 41.25 40.78 2qt9 s ASN 85 CO 0.00 -1.79 0.29 -1.54 -2.04 0.00 0.00 177.10 172.02 2qt9 n SER 86 N -3.29 -0.83 -3.60 3.54 3.41 -1.26 -0.10 113.62 111.48 2qt9 n SER 86 Ca 0.07 -1.82 -0.10 0.00 -0.26 0.00 0.00 58.87 56.76 2qt9 n SER 86 Cb 0.58 1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 65.96 2qt9 n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qt9 s SER 87 N -1.99 -0.41 -0.26 4.04 0.01 -0.63 -4.98 113.70 109.49 2qt9 s SER 87 Ca 0.11 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 2qt9 s SER 87 Cb -0.01 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.83 2qt9 s SER 87 CO 0.08 -1.05 1.10 -0.69 0.41 0.00 0.00 173.24 173.09 2qt9 s VAL 88 N -3.82 4.53 -0.11 3.43 1.01 -1.26 -0.71 120.40 123.47 2qt9 s VAL 88 Ca 0.05 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 2qt9 s VAL 88 Cb -0.02 -4.29 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 2qt9 s VAL 88 CO -0.07 -0.30 0.55 0.15 0.00 0.00 0.00 175.10 175.44 2qt9 h PHE 89 N 7.91 0.38 -2.47 5.22 3.04 0.16 -3.45 116.94 127.72 2qt9 h PHE 89 Ca -0.21 -0.28 -0.34 0.00 3.98 0.00 0.00 57.97 61.12 2qt9 h PHE 89 Cb 1.07 -0.02 -0.36 0.00 2.56 0.00 0.00 35.95 39.21 2qt9 h PHE 89 CO 0.79 1.51 -0.64 -1.17 -2.02 0.00 0.00 178.31 176.78 2qt9 s LEU 90 N -7.62 -0.07 0.29 0.59 2.96 -0.30 -4.98 118.68 109.55 2qt9 s LEU 90 Ca -0.20 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 52.96 2qt9 s LEU 90 Cb 0.04 0.33 -0.13 0.00 0.50 0.00 0.00 46.19 46.94 2qt9 s LEU 90 CO 0.75 -0.35 1.39 1.21 -1.32 0.00 0.00 176.35 178.03 2qt9 n GLU 91 N 5.31 2.18 0.00 1.98 4.07 -1.26 -0.96 120.64 131.97 2qt9 n GLU 91 Ca -0.05 0.77 0.01 0.00 -0.06 0.00 0.00 57.16 57.83 2qt9 n GLU 91 Cb 0.48 -2.42 0.04 0.00 -0.06 0.00 0.00 31.44 29.48 2qt9 n GLU 91 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2qt9 n ASN 92 N 1.62 0.00 -0.19 4.31 0.23 -1.26 -1.37 115.26 118.59 2qt9 n ASN 92 Ca 0.08 0.18 0.08 0.00 -0.53 0.00 0.00 54.58 54.39 2qt9 n ASN 92 Cb 0.34 -0.20 -0.05 0.00 -2.08 0.00 0.00 39.78 37.78 2qt9 n ASN 92 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2qt9 n SER 93 N -1.20 1.25 -0.28 0.53 3.41 -1.26 -4.60 113.62 111.47 2qt9 n SER 93 Ca 0.01 -1.13 0.10 0.00 -0.26 0.00 0.00 58.87 57.59 2qt9 n SER 93 Cb 0.01 0.75 0.24 0.00 -0.26 0.00 0.00 64.21 64.95 2qt9 n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qt9 h THR 94 N 0.95 0.36 -0.71 6.66 2.02 -1.58 -2.54 112.91 118.06 2qt9 h THR 94 Ca 0.00 -0.07 -0.50 0.00 0.77 0.00 0.00 66.41 66.62 2qt9 h THR 94 Cb 0.50 0.14 -0.33 0.00 -1.74 0.00 0.00 68.15 66.73 2qt9 h THR 94 CO 0.00 0.04 -0.29 0.49 0.37 0.00 0.00 175.52 176.12 2qt9 n PHE 95 N -5.24 2.47 0.61 3.16 3.72 -1.26 -4.71 117.46 116.21 2qt9 n PHE 95 Ca 0.18 -2.28 0.08 0.00 -0.05 0.00 0.00 57.45 55.39 2qt9 n PHE 95 Cb 0.59 -0.62 0.37 0.00 -0.94 0.00 0.00 39.48 38.88 2qt9 n PHE 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qt9 n ASP 96 N -0.85 0.00 -0.18 4.37 8.00 -0.96 -2.36 116.55 124.57 2qt9 n ASP 96 Ca 0.46 0.43 0.04 0.00 0.71 0.00 0.00 54.79 56.42 2qt9 n ASP 96 Cb 0.90 -0.47 0.06 0.00 -0.02 0.00 0.00 41.12 41.59 2qt9 n ASP 96 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qt9 n GLU 97 N -1.47 1.00 -0.12 -1.24 1.02 -1.26 -4.75 120.64 113.82 2qt9 n GLU 97 Ca 0.05 -1.64 0.14 0.00 -0.02 0.00 0.00 57.16 55.69 2qt9 n GLU 97 Cb 0.19 -0.98 0.52 0.00 -0.02 0.00 0.00 31.44 31.15 2qt9 n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2qt9 h PHE 98 N 0.00 0.42 0.00 -0.32 3.57 -1.80 -3.45 116.94 115.36 2qt9 h PHE 98 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qt9 h PHE 98 Cb 1.04 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.65 2qt9 h PHE 98 CO 0.03 0.18 0.00 0.41 -2.23 0.00 0.00 178.31 176.70 2qt9 n GLY 99 N -1.53 0.30 3.21 2.40 0.00 -1.26 -5.05 105.19 103.26 2qt9 n GLY 99 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2qt9 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qt9 s HIS 100 N -2.00 0.25 -0.36 1.61 3.76 -1.26 -5.12 115.29 112.17 2qt9 s HIS 100 Ca 0.00 -0.68 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 2qt9 s HIS 100 Cb 0.00 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.59 2qt9 s HIS 100 CO 0.00 -0.56 0.62 0.45 -0.85 0.00 0.00 174.74 174.41 2qt9 s SER 101 N -2.89 6.41 -0.14 1.40 0.15 -1.26 -5.00 113.70 112.37 2qt9 s SER 101 Ca 0.08 0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 2qt9 s SER 101 Cb 0.05 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2qt9 s SER 101 CO -0.09 -0.59 1.67 -0.63 1.20 0.00 0.00 173.24 174.80 2qt9 s ILE 102 N 2.68 3.60 0.17 6.45 1.01 -1.26 -4.55 121.20 129.30 2qt9 s ILE 102 Ca 0.24 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.54 2qt9 s ILE 102 Cb -0.15 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 2qt9 s ILE 102 CO 0.15 -0.17 1.45 -1.13 0.00 0.00 0.00 174.94 175.24 2qt9 h ASN 103 N 10.41 0.63 -5.12 3.58 -1.24 -0.31 -3.48 115.58 120.06 2qt9 h ASN 103 Ca -0.37 -0.38 0.13 0.00 0.71 0.00 0.00 56.30 56.40 2qt9 h ASN 103 Cb 1.17 -0.18 -0.09 0.00 0.73 0.00 0.00 38.32 39.94 2qt9 h ASN 103 CO 0.98 1.12 0.42 -0.62 -1.29 0.00 0.00 177.43 178.03 2qt9 s ASP 104 N -6.97 -0.26 0.26 1.15 -1.08 -1.06 -5.01 116.67 103.70 2qt9 s ASP 104 Ca -0.07 -0.34 0.01 0.00 -0.52 0.00 0.00 52.55 51.63 2qt9 s ASP 104 Cb 0.11 0.52 -0.05 0.00 -1.46 0.00 0.00 42.92 42.04 2qt9 s ASP 104 CO 0.85 -0.94 0.11 -0.72 0.52 0.00 0.00 175.17 174.99 2qt9 s TYR 105 N -3.40 1.50 -0.30 -5.34 1.13 -1.26 -0.48 117.35 109.20 2qt9 s TYR 105 Ca 0.10 -1.23 -0.10 0.00 -1.41 0.00 0.00 57.07 54.44 2qt9 s TYR 105 Cb -0.02 -0.86 0.15 0.00 -1.10 0.00 0.00 41.96 40.13 2qt9 s TYR 105 CO -0.00 -0.39 0.72 0.45 -2.51 0.00 0.00 175.55 173.82 2qt9 s SER 106 N -3.30 -1.06 0.01 -0.18 0.15 0.19 -4.93 113.70 104.58 2qt9 s SER 106 Ca 0.38 1.29 -0.20 0.00 0.70 0.00 0.00 55.95 58.12 2qt9 s SER 106 Cb 0.07 2.14 -0.06 0.00 -1.71 0.00 0.00 66.02 66.47 2qt9 s SER 106 CO 0.14 -0.20 0.57 -0.63 1.20 0.00 0.00 173.24 174.32 2qt9 s ILE 107 N 2.81 4.89 0.77 6.45 1.09 -1.26 0.17 121.20 136.12 2qt9 s ILE 107 Ca -0.01 1.21 -0.14 0.00 -1.10 0.00 0.00 60.65 60.60 2qt9 s ILE 107 Cb -0.11 -3.91 0.06 0.00 -1.06 0.00 0.00 42.46 37.44 2qt9 s ILE 107 CO -0.19 0.45 1.20 -0.94 -0.10 0.00 0.00 174.94 175.36 2qt9 s SER 108 N -0.40 3.92 0.41 3.58 1.04 -0.26 -4.87 113.70 117.13 2qt9 s SER 108 Ca 0.30 2.34 0.16 0.00 0.48 0.00 0.00 55.95 59.23 2qt9 s SER 108 Cb -0.18 -2.59 1.05 0.00 0.10 0.00 0.00 66.02 64.40 2qt9 s SER 108 CO 0.17 -2.44 1.85 -0.65 0.98 0.00 0.00 173.24 173.15 2qt9 h PRO 109 N -0.61 0.43 -0.39 4.02 0.11 -1.80 -0.60 132.00 133.16 2qt9 h PRO 109 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qt9 h PRO 109 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qt9 h PRO 109 CO 0.48 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 2qt9 n ASP 110 N -4.53 1.99 -0.55 -2.05 3.85 -0.99 -4.81 116.55 109.45 2qt9 n ASP 110 Ca 0.19 -2.04 -0.07 0.00 -0.71 0.00 0.00 54.79 52.16 2qt9 n ASP 110 Cb 0.68 -0.27 -0.03 0.00 -1.35 0.00 0.00 41.12 40.15 2qt9 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qt9 n GLY 111 N 0.98 0.72 0.12 6.12 0.00 -0.23 -4.86 105.19 108.04 2qt9 n GLY 111 Ca 0.12 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.20 2qt9 n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qt9 h GLN 112 N 0.05 0.00 -4.45 1.61 4.20 -1.91 -3.47 115.11 111.14 2qt9 h GLN 112 Ca -0.15 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 2qt9 h GLN 112 Cb 1.05 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.68 2qt9 h GLN 112 CO 0.22 0.07 -0.69 -0.06 -0.67 0.00 0.00 178.83 177.70 2qt9 s PHE 113 N -3.25 0.71 -0.04 2.96 0.08 -1.26 -2.10 117.98 115.07 2qt9 s PHE 113 Ca 0.00 -1.00 0.02 0.00 0.12 0.00 0.00 56.93 56.07 2qt9 s PHE 113 Cb 0.09 -0.46 0.01 0.00 -0.57 0.00 0.00 43.02 42.09 2qt9 s PHE 113 CO 0.78 -0.27 -0.09 -1.50 -0.10 0.00 0.00 175.22 174.03 2qt9 s ILE 114 N -3.78 0.87 -0.24 0.64 2.07 -0.39 -1.10 121.20 119.27 2qt9 s ILE 114 Ca 0.10 -0.36 -0.17 0.00 -1.41 0.00 0.00 60.65 58.81 2qt9 s ILE 114 Cb 0.07 -0.80 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 2qt9 s ILE 114 CO -0.07 0.29 0.46 -0.22 -1.91 0.00 0.00 174.94 173.49 2qt9 s LEU 115 N 0.54 4.09 -0.20 8.50 2.96 0.45 -1.02 118.68 133.99 2qt9 s LEU 115 Ca -0.10 0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 54.23 2qt9 s LEU 115 Cb -0.13 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2qt9 s LEU 115 CO 0.02 -0.20 0.09 -0.76 -1.32 0.00 0.00 176.35 174.18 2qt9 s LEU 116 N 1.91 3.89 -0.15 -0.68 1.43 0.47 -0.64 118.68 124.90 2qt9 s LEU 116 Ca 0.20 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2qt9 s LEU 116 Cb -0.15 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2qt9 s LEU 116 CO 0.09 0.13 -0.08 -0.70 0.23 0.00 0.00 176.35 176.02 2qt9 s GLU 117 N 0.65 3.51 0.27 1.70 2.12 0.37 -1.75 118.70 125.58 2qt9 s GLU 117 Ca 0.05 -0.60 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 2qt9 s GLU 117 Cb -0.13 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 2qt9 s GLU 117 CO 0.01 0.18 0.40 1.52 -0.54 0.00 0.00 175.26 176.84 2qt9 s TYR 118 N 0.48 0.80 -1.39 5.30 1.13 -0.35 0.51 117.35 123.83 2qt9 s TYR 118 Ca -0.06 -1.08 -0.02 0.00 -1.41 0.00 0.00 57.07 54.50 2qt9 s TYR 118 Cb -0.15 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.64 2qt9 s TYR 118 CO 0.04 -0.97 0.23 0.09 -2.51 0.00 0.00 175.55 172.42 2qt9 n ASN 119 N -0.75 -5.18 -4.68 -0.18 3.02 -1.26 0.64 115.26 106.87 2qt9 n ASN 119 Ca 0.00 -0.12 -0.45 0.00 -0.03 0.00 0.00 54.58 53.98 2qt9 n ASN 119 Cb 0.63 -4.16 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 2qt9 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qt9 n TYR 120 N -4.14 2.43 -3.83 3.10 9.36 -1.26 -4.30 117.16 118.52 2qt9 n TYR 120 Ca -0.15 -0.06 -0.30 0.00 3.32 0.00 0.00 57.90 60.71 2qt9 n TYR 120 Cb 0.63 -2.69 -0.15 0.00 -0.63 0.00 0.00 39.34 36.50 2qt9 n TYR 120 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2qt9 s VAL 121 N 3.21 1.20 0.49 2.97 1.01 0.13 -4.98 120.40 124.43 2qt9 s VAL 121 Ca 0.87 -1.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 2qt9 s VAL 121 Cb -0.59 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 2qt9 s VAL 121 CO 0.44 -0.41 1.38 1.17 0.00 0.00 0.00 175.10 177.67 2qt9 n LYS 122 N 4.75 1.98 0.00 2.72 4.81 -1.26 -0.44 118.16 130.71 2qt9 n LYS 122 Ca -0.05 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2qt9 n LYS 122 Cb 0.43 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.91 2qt9 n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2qt9 n GLN 123 N -0.51 0.00 0.00 1.64 7.27 -0.28 -4.83 117.38 120.67 2qt9 n GLN 123 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2qt9 n GLN 123 Cb 0.43 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.08 2qt9 n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2qt9 n TRP 124 N 0.00 0.00 -0.13 3.69 5.03 -1.17 -4.93 117.44 119.93 2qt9 n TRP 124 Ca 0.00 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.43 2qt9 n TRP 124 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.31 2qt9 n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2qt9 h ARG 125 N 0.00 0.91 0.00 -0.99 2.43 -1.99 -3.38 114.38 111.37 2qt9 h ARG 125 Ca 0.00 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 2qt9 h ARG 125 Cb 0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2qt9 h ARG 125 CO 0.00 1.06 -1.37 0.72 -1.51 0.00 0.00 179.97 178.87 2qt9 n HIS 126 N -4.10 0.00 -1.73 2.20 8.25 -1.26 -5.06 115.22 113.53 2qt9 n HIS 126 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2qt9 n HIS 126 Cb 0.47 -0.26 0.04 0.00 1.12 0.00 0.00 29.99 31.37 2qt9 n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qt9 s SER 127 N -3.97 5.33 -0.12 0.41 1.04 -1.26 -4.75 113.70 110.38 2qt9 s SER 127 Ca -0.05 1.80 -0.33 0.00 0.48 0.00 0.00 55.95 57.85 2qt9 s SER 127 Cb 0.02 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.74 2qt9 s SER 127 CO 0.20 -1.48 1.16 -0.72 0.98 0.00 0.00 173.24 173.38 2qt9 s TYR 128 N -2.67 -0.15 0.22 5.02 -0.85 -1.26 -1.13 117.35 116.52 2qt9 s TYR 128 Ca 0.62 0.07 0.10 0.00 -0.52 0.00 0.00 57.07 57.35 2qt9 s TYR 128 Cb -0.16 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 2qt9 s TYR 128 CO 0.46 -0.29 -0.14 0.95 -1.52 0.00 0.00 175.55 175.00 2qt9 s THR 129 N -2.57 2.85 0.07 -3.49 -4.23 0.42 -4.71 115.64 103.97 2qt9 s THR 129 Ca 0.09 -1.95 -0.27 0.00 -1.18 0.00 0.00 61.69 58.38 2qt9 s THR 129 Cb -0.00 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.49 2qt9 s THR 129 CO -0.05 -0.21 0.98 0.00 -0.54 0.00 0.00 174.62 174.80 2qt9 s ALA 130 N -1.95 -1.79 0.22 3.99 0.00 -1.13 0.19 121.76 121.30 2qt9 s ALA 130 Ca 0.26 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 2qt9 s ALA 130 Cb -0.07 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2qt9 s ALA 130 CO 0.14 -0.91 0.41 -1.12 0.00 0.00 0.00 175.76 174.29 2qt9 s SER 131 N -2.76 6.37 0.01 0.00 0.01 0.21 -2.97 113.70 114.56 2qt9 s SER 131 Ca 0.10 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.74 2qt9 s SER 131 Cb -0.01 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2qt9 s SER 131 CO -0.02 -0.08 -0.01 -0.31 0.41 0.00 0.00 173.24 173.23 2qt9 s TYR 132 N -1.94 0.19 0.05 2.43 1.51 -1.26 -1.21 117.35 117.12 2qt9 s TYR 132 Ca 0.38 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 2qt9 s TYR 132 Cb -0.11 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.57 2qt9 s TYR 132 CO 0.30 -0.16 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.03 2qt9 s ASP 133 N -1.14 0.61 -0.10 2.29 1.01 -0.72 -4.44 116.67 114.17 2qt9 s ASP 133 Ca -0.13 -0.80 0.03 0.00 0.71 0.00 0.00 52.55 52.36 2qt9 s ASP 133 Cb -0.08 0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.97 2qt9 s ASP 133 CO -0.01 -0.43 -0.19 -0.63 0.21 0.00 0.00 175.17 174.12 2qt9 s ILE 134 N -2.82 2.53 -0.18 0.77 1.01 -1.26 -0.40 121.20 120.86 2qt9 s ILE 134 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2qt9 s ILE 134 Cb -0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2qt9 s ILE 134 CO -0.05 0.55 -0.01 -0.47 0.00 0.00 0.00 174.94 174.96 2qt9 s TYR 135 N 0.17 3.06 -0.52 3.97 5.04 -0.19 -0.82 117.35 128.07 2qt9 s TYR 135 Ca -0.11 -0.30 -0.26 0.00 -2.44 0.00 0.00 57.07 53.96 2qt9 s TYR 135 Cb -0.16 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.16 2qt9 s TYR 135 CO 0.06 -0.09 1.02 0.34 -1.34 0.00 0.00 175.55 175.54 2qt9 s ASP 136 N 0.61 6.45 0.30 4.32 -1.08 0.26 -1.26 116.67 126.25 2qt9 s ASP 136 Ca -0.01 -0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 52.01 2qt9 s ASP 136 Cb -0.14 -2.48 0.45 0.00 -1.46 0.00 0.00 42.92 39.29 2qt9 s ASP 136 CO 0.02 -1.24 1.87 -0.07 0.52 0.00 0.00 175.17 176.28 2qt9 h LEU 137 N 11.10 0.77 0.00 -1.34 3.38 -1.69 -0.40 115.31 127.13 2qt9 h LEU 137 Ca -0.25 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2qt9 h LEU 137 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2qt9 h LEU 137 CO 1.10 0.71 0.00 0.59 0.09 0.00 0.00 178.44 180.92 2qt9 n ASN 138 N -4.32 0.00 -0.15 -0.43 3.02 -1.25 -3.02 115.26 109.12 2qt9 n ASN 138 Ca 0.05 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 2qt9 n ASN 138 Cb 0.18 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2qt9 n ASN 138 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2qt9 n LYS 139 N -0.98 0.49 -4.03 3.52 2.85 -1.25 -4.84 118.16 113.92 2qt9 n LYS 139 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2qt9 n LYS 139 Cb 0.00 -1.07 -0.02 0.00 -0.65 0.00 0.00 35.03 33.28 2qt9 n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qt9 n ARG 140 N -0.28 -0.59 -4.18 -1.58 1.74 -0.23 -4.95 116.66 106.60 2qt9 n ARG 140 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2qt9 n ARG 140 Cb 0.04 -2.32 -0.10 0.00 -1.02 0.00 0.00 32.46 29.06 2qt9 n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qt9 s GLN 141 N -6.91 0.89 0.03 5.56 -0.21 -0.78 -4.97 119.66 113.27 2qt9 s GLN 141 Ca 0.24 -1.39 -0.11 0.00 0.02 0.00 0.00 55.36 54.13 2qt9 s GLN 141 Cb -0.14 -0.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.69 2qt9 s GLN 141 CO 0.82 -0.08 0.37 -1.17 -2.12 0.00 0.00 175.29 173.10 2qt9 s LEU 142 N -3.07 4.39 -0.13 2.90 2.96 -1.26 0.90 118.68 125.37 2qt9 s LEU 142 Ca 0.16 0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 54.60 2qt9 s LEU 142 Cb 0.06 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 2qt9 s LEU 142 CO -0.02 0.24 0.81 -0.63 -1.32 0.00 0.00 176.35 175.42 2qt9 s ILE 143 N -1.27 4.92 -1.29 6.68 1.01 0.00 -4.89 121.20 126.37 2qt9 s ILE 143 Ca 0.28 1.61 0.14 0.00 0.00 0.00 0.00 60.65 62.68 2qt9 s ILE 143 Cb -0.14 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2qt9 s ILE 143 CO 0.15 0.09 0.78 0.35 0.00 0.00 0.00 174.94 176.32 2qt9 n THR 144 N 4.44 0.00 -4.29 2.92 -2.24 -1.26 -4.64 114.28 109.21 2qt9 n THR 144 Ca 0.03 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.17 2qt9 n THR 144 Cb 0.50 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 2qt9 n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qt9 s GLU 145 N -1.64 1.99 -1.43 -0.78 -1.05 -1.26 -4.67 118.70 109.85 2qt9 s GLU 145 Ca 0.12 -1.25 -0.01 0.00 -0.15 0.00 0.00 54.97 53.68 2qt9 s GLU 145 Cb 0.11 -2.15 0.01 0.00 -0.44 0.00 0.00 34.13 31.66 2qt9 s GLU 145 CO 0.33 0.45 0.43 0.39 0.95 0.00 0.00 175.26 177.80 2qt9 n GLU 146 N 0.23 -3.22 -2.44 -4.83 -0.58 -1.26 -4.69 120.64 103.84 2qt9 n GLU 146 Ca -0.12 0.39 -0.34 0.00 -0.42 0.00 0.00 57.16 56.67 2qt9 n GLU 146 Cb 0.55 -4.53 -0.02 0.00 -0.57 0.00 0.00 31.44 26.86 2qt9 n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2qt9 s ARG 147 N -6.61 3.66 0.20 3.49 0.52 -1.26 -4.78 118.95 114.17 2qt9 s ARG 147 Ca 0.05 1.42 -0.32 0.00 -0.52 0.00 0.00 55.73 56.36 2qt9 s ARG 147 Cb -0.03 -2.07 -0.11 0.00 0.52 0.00 0.00 34.95 33.26 2qt9 s ARG 147 CO 0.89 -0.56 1.66 0.42 0.02 0.00 0.00 175.30 177.74 2qt9 s ILE 148 N -1.95 2.22 0.61 1.52 1.01 -1.26 -4.92 121.20 118.44 2qt9 s ILE 148 Ca 0.69 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 61.32 2qt9 s ILE 148 Cb -0.18 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2qt9 s ILE 148 CO 0.23 0.01 0.97 -2.65 0.00 0.00 0.00 174.94 173.50 2qt9 n PRO 149 N 3.87 0.88 -1.95 2.79 -0.02 -1.26 -4.62 135.00 134.68 2qt9 n PRO 149 Ca 0.15 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 2qt9 n PRO 149 Cb 0.36 -2.18 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2qt9 n PRO 149 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2qt9 s ASN 150 N -1.27 5.48 -0.90 2.55 0.01 -1.26 -3.39 114.94 116.16 2qt9 s ASN 150 Ca 0.77 1.95 -0.03 0.00 -0.71 0.00 0.00 52.86 54.84 2qt9 s ASN 150 Cb -0.41 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.70 2qt9 s ASN 150 CO 0.46 -1.38 0.38 0.59 -1.51 0.00 0.00 177.10 175.65 2qt9 n ASN 151 N -2.08 -4.24 -4.74 -1.22 3.02 -1.25 -4.98 115.26 99.77 2qt9 n ASN 151 Ca 0.10 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 2qt9 n ASN 151 Cb 0.52 -3.09 -0.04 0.00 -0.61 0.00 0.00 39.78 36.56 2qt9 n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qt9 s THR 152 N -2.93 4.05 -0.10 3.41 2.01 -1.16 -4.61 115.64 116.31 2qt9 s THR 152 Ca 0.19 1.78 0.15 0.00 0.31 0.00 0.00 61.69 64.12 2qt9 s THR 152 Cb -0.08 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.19 2qt9 s THR 152 CO 0.23 0.31 1.01 1.56 -0.69 0.00 0.00 174.62 177.05 2qt9 h GLN 153 N 5.11 0.00 -1.61 4.92 4.20 -1.31 -3.00 115.11 123.41 2qt9 h GLN 153 Ca -0.44 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.33 2qt9 h GLN 153 Cb 1.21 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.75 2qt9 h GLN 153 CO 0.72 0.44 0.47 -0.46 -0.67 0.00 0.00 178.83 179.33 2qt9 s TRP 154 N -2.88 -0.45 -0.06 2.96 -0.11 -1.21 -4.66 118.94 112.55 2qt9 s TRP 154 Ca -0.01 0.94 -0.06 0.00 1.22 0.00 0.00 56.10 58.20 2qt9 s TRP 154 Cb 0.08 0.40 0.02 0.00 -1.50 0.00 0.00 33.47 32.47 2qt9 s TRP 154 CO 0.80 -0.30 0.16 0.08 -4.62 0.00 0.00 176.95 173.07 2qt9 s VAL 155 N -0.43 0.00 -0.14 5.86 1.01 -1.26 -0.99 120.40 124.44 2qt9 s VAL 155 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 2qt9 s VAL 155 Cb -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.16 2qt9 s VAL 155 CO -0.02 -0.01 0.37 0.28 0.00 0.00 0.00 175.10 175.71 2qt9 s THR 156 N 0.03 -0.01 0.71 3.92 -1.32 -0.30 -5.01 115.64 113.65 2qt9 s THR 156 Ca -0.01 0.05 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 2qt9 s THR 156 Cb -0.01 -0.53 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 2qt9 s THR 156 CO 0.00 0.02 1.08 0.26 -2.21 0.00 0.00 174.62 173.77 2qt9 s TRP 157 N 0.75 2.86 0.79 9.09 0.52 -1.26 -1.24 118.94 130.45 2qt9 s TRP 157 Ca -0.05 1.49 -0.11 0.00 0.02 0.00 0.00 56.10 57.46 2qt9 s TRP 157 Cb -0.06 -2.98 0.07 0.00 -1.15 0.00 0.00 33.47 29.35 2qt9 s TRP 157 CO -0.05 -1.46 1.09 -1.54 0.02 0.00 0.00 176.95 175.00 2qt9 s SER 158 N -3.40 4.40 0.57 2.95 1.04 0.04 -4.86 113.70 114.45 2qt9 s SER 158 Ca 0.61 1.68 0.33 0.00 0.48 0.00 0.00 55.95 59.04 2qt9 s SER 158 Cb -0.16 -2.40 1.71 0.00 0.10 0.00 0.00 66.02 65.27 2qt9 s SER 158 CO 0.52 -2.08 2.15 1.55 0.98 0.00 0.00 173.24 176.36 2qt9 h PRO 159 N -1.16 0.00 -4.68 4.02 0.13 -1.83 -3.42 132.00 125.07 2qt9 h PRO 159 Ca -0.45 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 2qt9 h PRO 159 Cb 1.24 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 2qt9 h PRO 159 CO 0.53 0.06 -0.72 0.08 -0.23 0.00 0.00 178.00 177.72 2qt9 s VAL 160 N -4.17 0.67 0.00 1.56 1.01 -1.26 -4.78 120.40 113.43 2qt9 s VAL 160 Ca -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2qt9 s VAL 160 Cb 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2qt9 s VAL 160 CO 0.53 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2qt9 n GLY 161 N 0.80 1.16 2.03 4.51 0.00 -1.26 -4.41 105.19 108.02 2qt9 n GLY 161 Ca -0.18 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 2qt9 n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qt9 n HIS 162 N 12.56 -0.64 -1.46 1.61 1.44 -1.26 -2.36 115.22 125.10 2qt9 n HIS 162 Ca 0.00 -1.26 -0.31 0.00 -2.01 0.00 0.00 57.72 54.14 2qt9 n HIS 162 Cb 0.00 0.74 0.07 0.00 0.12 0.00 0.00 29.99 30.91 2qt9 n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2qt9 s LYS 163 N -0.55 2.65 -0.01 -1.40 1.02 -1.26 -4.60 119.74 115.58 2qt9 s LYS 163 Ca 0.12 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.21 2qt9 s LYS 163 Cb 0.28 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.64 2qt9 s LYS 163 CO -0.08 -1.33 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.44 2qt9 s LEU 164 N -5.63 1.89 -0.04 3.17 1.43 -0.31 -0.78 118.68 118.41 2qt9 s LEU 164 Ca 0.60 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2qt9 s LEU 164 Cb -0.16 -0.42 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 2qt9 s LEU 164 CO 0.54 0.07 -0.17 0.00 0.23 0.00 0.00 176.35 177.02 2qt9 s ALA 165 N 0.02 1.49 0.09 4.21 0.00 -0.37 -0.24 121.76 126.96 2qt9 s ALA 165 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2qt9 s ALA 165 Cb -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2qt9 s ALA 165 CO -0.00 0.27 0.12 1.52 0.00 0.00 0.00 175.76 177.67 2qt9 s TYR 166 N 0.06 0.37 -0.11 0.00 1.13 0.41 -1.15 117.35 118.06 2qt9 s TYR 166 Ca -0.04 -0.82 0.02 0.00 -1.41 0.00 0.00 57.07 54.82 2qt9 s TYR 166 Cb -0.12 -0.20 -0.01 0.00 -1.10 0.00 0.00 41.96 40.53 2qt9 s TYR 166 CO 0.02 -0.52 -0.18 0.08 -2.51 0.00 0.00 175.55 172.45 2qt9 s VAL 167 N -3.91 2.63 -0.08 -3.49 1.01 -0.17 -0.40 120.40 115.99 2qt9 s VAL 167 Ca 0.09 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2qt9 s VAL 167 Cb 0.06 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.42 2qt9 s VAL 167 CO -0.08 0.54 0.16 0.86 0.00 0.00 0.00 175.10 176.59 2qt9 s TRP 168 N 0.24 -0.19 -1.44 5.22 -0.00 -0.66 -0.91 118.94 121.20 2qt9 s TRP 168 Ca -0.12 0.57 -0.10 0.00 -0.00 0.00 0.00 56.10 56.45 2qt9 s TRP 168 Cb -0.16 -0.13 0.05 0.00 -0.00 0.00 0.00 33.47 33.23 2qt9 s TRP 168 CO 0.06 -0.21 1.00 0.09 -0.00 0.00 0.00 176.95 177.89 2qt9 n ASN 169 N 4.62 -4.60 -0.37 5.86 5.03 -1.26 -2.31 115.26 122.24 2qt9 n ASN 169 Ca -0.19 -0.71 -0.05 0.00 0.87 0.00 0.00 54.58 54.51 2qt9 n ASN 169 Cb 0.51 -4.30 -0.02 0.00 -1.02 0.00 0.00 39.78 34.95 2qt9 n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qt9 n ASN 170 N -2.93 -4.99 -4.41 6.41 4.13 -1.26 -4.43 115.26 107.77 2qt9 n ASN 170 Ca -0.03 0.12 -0.26 0.00 1.68 0.00 0.00 54.58 56.08 2qt9 n ASN 170 Cb 0.56 -2.91 -0.12 0.00 -1.54 0.00 0.00 39.78 35.77 2qt9 n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2qt9 s ASP 171 N -2.28 3.34 0.04 6.41 -0.00 -0.98 -1.90 116.67 121.31 2qt9 s ASP 171 Ca 0.00 -0.86 -0.13 0.00 -0.00 0.00 0.00 52.55 51.56 2qt9 s ASP 171 Cb 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 42.92 42.62 2qt9 s ASP 171 CO 0.00 0.11 0.42 -0.63 -0.00 0.00 0.00 175.17 175.07 2qt9 s ILE 172 N -1.67 5.03 0.03 0.77 1.01 -1.26 -1.66 121.20 123.45 2qt9 s ILE 172 Ca 0.20 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.60 2qt9 s ILE 172 Cb -0.08 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2qt9 s ILE 172 CO 0.09 0.46 -0.09 -0.31 0.00 0.00 0.00 174.94 175.10 2qt9 s TYR 173 N -1.21 0.77 -0.04 3.97 1.51 0.46 -0.77 117.35 122.04 2qt9 s TYR 173 Ca 0.28 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 2qt9 s TYR 173 Cb -0.16 -0.46 -0.00 0.00 -0.11 0.00 0.00 41.96 41.23 2qt9 s TYR 173 CO 0.15 -0.03 -0.14 0.08 -1.11 0.00 0.00 175.55 174.50 2qt9 s VAL 174 N -0.93 1.21 -0.19 0.71 1.01 -0.15 -0.44 120.40 121.61 2qt9 s VAL 174 Ca -0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2qt9 s VAL 174 Cb -0.07 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2qt9 s VAL 174 CO 0.01 0.35 -0.16 -0.54 0.00 0.00 0.00 175.10 174.76 2qt9 s LYS 175 N 0.07 3.04 0.17 2.72 1.02 0.67 -0.41 119.74 127.01 2qt9 s LYS 175 Ca -0.03 -0.81 -0.06 0.00 0.02 0.00 0.00 55.97 55.09 2qt9 s LYS 175 Cb -0.10 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 2qt9 s LYS 175 CO 0.01 -0.23 1.46 0.82 -0.92 0.00 0.00 175.35 176.49 2qt9 h ILE 176 N 5.93 1.31 -4.17 2.17 1.08 -1.84 -0.81 117.51 121.18 2qt9 h ILE 176 Ca -0.43 -1.82 -0.48 0.00 -0.39 0.00 0.00 64.86 61.73 2qt9 h ILE 176 Cb 1.14 1.77 -0.29 0.00 -3.07 0.00 0.00 36.82 36.37 2qt9 h ILE 176 CO 0.62 0.57 -0.81 -1.61 -0.69 0.00 0.00 178.15 176.23 2qt9 s GLU 177 N -3.99 1.16 0.36 2.37 0.41 -1.26 -4.36 118.70 113.39 2qt9 s GLU 177 Ca -0.08 -0.49 0.14 0.00 -0.41 0.00 0.00 54.97 54.12 2qt9 s GLU 177 Cb 0.11 -1.11 1.01 0.00 -1.78 0.00 0.00 34.13 32.36 2qt9 s GLU 177 CO 0.86 0.29 1.74 -1.35 -0.49 0.00 0.00 175.26 176.31 2qt9 h PRO 178 N 5.85 0.46 -0.43 0.39 0.11 -1.85 -1.98 132.00 134.55 2qt9 h PRO 178 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2qt9 h PRO 178 Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2qt9 h PRO 178 CO 0.49 0.30 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 2qt9 n ASN 179 N -4.77 3.41 -4.91 -2.05 6.94 -1.26 -4.83 115.26 107.80 2qt9 n ASN 179 Ca 0.27 -1.98 -0.21 0.00 -0.02 0.00 0.00 54.58 52.64 2qt9 n ASN 179 Cb 0.84 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.95 2qt9 n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qt9 s LEU 180 N -1.41 3.87 0.61 -4.53 1.43 -0.75 -4.57 118.68 113.33 2qt9 s LEU 180 Ca 0.40 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 2qt9 s LEU 180 Cb 0.23 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2qt9 s LEU 180 CO 0.32 -0.26 1.32 -2.65 0.23 0.00 0.00 176.35 175.30 2qt9 n PRO 181 N -1.42 1.35 -2.59 1.29 -0.02 -1.26 -4.84 135.00 127.52 2qt9 n PRO 181 Ca -0.04 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 2qt9 n PRO 181 Cb 0.58 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2qt9 n PRO 181 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2qt9 s SER 182 N -1.18 6.71 -0.19 2.55 0.01 -1.26 -4.70 113.70 115.63 2qt9 s SER 182 Ca 0.78 1.55 -0.07 0.00 1.31 0.00 0.00 55.95 59.52 2qt9 s SER 182 Cb -0.40 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.30 2qt9 s SER 182 CO 0.44 -0.49 0.05 -0.31 0.41 0.00 0.00 173.24 173.34 2qt9 s TYR 183 N -2.45 3.19 0.06 2.43 2.02 0.45 -4.92 117.35 118.13 2qt9 s TYR 183 Ca 0.59 -0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.93 2qt9 s TYR 183 Cb -0.10 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2qt9 s TYR 183 CO 0.26 0.04 1.05 1.03 -1.57 0.00 0.00 175.55 176.36 2qt9 s ARG 184 N 0.58 4.55 -0.17 -0.62 1.81 -1.26 -0.97 118.95 122.86 2qt9 s ARG 184 Ca 0.02 1.56 0.08 0.00 -1.72 0.00 0.00 55.73 55.67 2qt9 s ARG 184 Cb -0.13 -3.39 -0.16 0.00 -0.45 0.00 0.00 34.95 30.82 2qt9 s ARG 184 CO 0.01 -0.04 -0.05 -0.89 -0.68 0.00 0.00 175.30 173.65 2qt9 n ILE 185 N 3.52 1.08 -4.21 1.52 2.08 0.05 -4.89 119.36 118.51 2qt9 n ILE 185 Ca 0.06 -0.54 -0.18 0.00 0.56 0.00 0.00 62.75 62.65 2qt9 n ILE 185 Cb 0.49 -0.88 -0.11 0.00 -0.75 0.00 0.00 39.64 38.39 2qt9 n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qt9 s THR 186 N -2.38 1.20 0.00 1.39 -4.23 -1.23 -4.93 115.64 105.46 2qt9 s THR 186 Ca -0.16 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2qt9 s THR 186 Cb 0.06 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.57 2qt9 s THR 186 CO 0.54 -0.35 0.71 0.79 -0.54 0.00 0.00 174.62 175.77 2qt9 n TRP 187 N 0.84 0.00 0.92 3.99 8.01 -1.26 -4.55 117.44 125.39 2qt9 n TRP 187 Ca -0.18 -0.25 0.11 0.00 -1.31 0.00 0.00 57.50 55.87 2qt9 n TRP 187 Cb 0.56 -0.03 0.08 0.00 -2.01 0.00 0.00 31.31 29.92 2qt9 n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2qt9 n THR 188 N -0.25 0.03 -1.52 -0.99 -2.24 -1.26 -4.98 114.28 103.07 2qt9 n THR 188 Ca 0.00 -0.05 -0.49 0.00 -2.27 0.00 0.00 64.05 61.24 2qt9 n THR 188 Cb 0.29 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 2qt9 n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt9 n GLY 189 N 1.47 -0.56 3.34 3.38 0.00 -1.26 -4.68 105.19 106.88 2qt9 n GLY 189 Ca 0.04 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.46 2qt9 n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qt9 s LYS 190 N -0.74 0.37 -0.05 1.61 2.20 -0.65 -4.91 119.74 117.57 2qt9 s LYS 190 Ca 0.70 1.11 -0.40 0.00 -0.36 0.00 0.00 55.97 57.02 2qt9 s LYS 190 Cb -0.90 0.43 -0.19 0.00 -1.51 0.00 0.00 37.83 35.67 2qt9 s LYS 190 CO 0.55 -0.25 1.25 -1.91 -0.36 0.00 0.00 175.35 174.64 2qt9 n GLU 191 N 5.40 0.39 -0.94 4.03 2.13 -1.26 -0.15 120.64 130.24 2qt9 n GLU 191 Ca -0.09 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2qt9 n GLU 191 Cb 0.49 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.51 2qt9 n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2qt9 n ASP 192 N 2.33 -5.41 0.08 4.31 8.00 -1.26 -4.71 116.55 119.89 2qt9 n ASP 192 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2qt9 n ASP 192 Cb 0.10 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 2qt9 n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qt9 n ILE 193 N -1.94 0.78 -4.27 0.53 2.08 0.79 -4.74 119.36 112.59 2qt9 n ILE 193 Ca 0.00 0.26 -0.34 0.00 0.56 0.00 0.00 62.75 63.23 2qt9 n ILE 193 Cb 0.45 -1.20 -0.15 0.00 -0.75 0.00 0.00 39.64 37.99 2qt9 n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2qt9 s ILE 194 N -1.94 2.76 -0.24 1.39 -1.09 -0.28 -0.12 121.20 121.68 2qt9 s ILE 194 Ca 0.00 -0.72 -0.01 0.00 -2.23 0.00 0.00 60.65 57.69 2qt9 s ILE 194 Cb 0.00 -2.20 0.03 0.00 -1.58 0.00 0.00 42.46 38.71 2qt9 s ILE 194 CO 0.00 0.49 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.81 2qt9 s TYR 195 N 1.08 3.05 -0.21 3.97 1.51 -0.29 -1.64 117.35 124.82 2qt9 s TYR 195 Ca -0.00 -1.62 -0.06 0.00 -1.01 0.00 0.00 57.07 54.38 2qt9 s TYR 195 Cb -0.14 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2qt9 s TYR 195 CO -0.04 -0.75 0.04 -0.80 -1.11 0.00 0.00 175.55 172.90 2qt9 s ASN 196 N 1.30 5.15 0.00 2.29 0.01 -0.80 -0.97 114.94 121.93 2qt9 s ASN 196 Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 2qt9 s ASN 196 Cb -0.16 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.60 2qt9 s ASN 196 CO -0.06 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 2qt9 n GLY 197 N 4.23 2.75 3.18 0.66 0.00 -0.52 -4.39 105.19 111.09 2qt9 n GLY 197 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 2qt9 n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qt9 s ILE 198 N -3.02 0.97 0.51 -0.61 -4.36 -1.26 0.41 121.20 113.83 2qt9 s ILE 198 Ca 0.00 -1.65 -0.06 0.00 -0.26 0.00 0.00 60.65 58.68 2qt9 s ILE 198 Cb 0.00 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.30 2qt9 s ILE 198 CO 0.00 -0.55 0.83 0.42 0.24 0.00 0.00 174.94 175.88 2qt9 s THR 199 N -2.43 4.87 0.03 8.37 -4.23 0.26 -4.72 115.64 117.80 2qt9 s THR 199 Ca 0.06 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2qt9 s THR 199 Cb -0.03 -3.87 0.01 0.00 1.34 0.00 0.00 72.50 69.95 2qt9 s THR 199 CO 0.00 -0.91 0.04 -0.90 -0.54 0.00 0.00 174.62 172.32 2qt9 n ASP 200 N -2.35 0.04 0.19 3.99 5.75 -1.26 -4.78 116.55 118.13 2qt9 n ASP 200 Ca 0.02 -1.04 -0.14 0.00 -0.01 0.00 0.00 54.79 53.62 2qt9 n ASP 200 Cb 0.55 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 2qt9 n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2qt9 h TRP 201 N -0.59 -0.47 -0.14 2.11 7.01 -2.00 -1.78 115.95 120.09 2qt9 h TRP 201 Ca -0.01 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.87 2qt9 h TRP 201 Cb 0.05 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2qt9 h TRP 201 CO 0.00 -0.28 -0.38 -0.24 -2.79 0.00 0.00 178.44 174.75 2qt9 h VAL 202 N -0.46 1.30 -0.12 2.65 3.04 -1.95 -1.39 116.25 119.32 2qt9 h VAL 202 Ca -0.03 -1.46 -0.14 0.00 -1.01 0.00 0.00 66.70 64.05 2qt9 h VAL 202 Cb 0.38 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 2qt9 h VAL 202 CO 0.03 0.44 -0.55 1.88 -1.01 0.00 0.00 177.57 178.37 2qt9 h TYR 203 N 0.26 0.45 0.42 3.17 -1.99 -1.92 0.13 116.97 117.49 2qt9 h TYR 203 Ca 0.03 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 2qt9 h TYR 203 Cb 0.79 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.44 2qt9 h TYR 203 CO 0.02 0.83 -0.20 1.49 -0.00 0.00 0.00 178.16 180.29 2qt9 h GLU 204 N 0.27 -0.55 -0.10 4.88 4.81 -0.88 0.37 114.58 123.39 2qt9 h GLU 204 Ca 0.00 0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 2qt9 h GLU 204 Cb 1.05 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.57 2qt9 h GLU 204 CO 0.09 -0.26 -0.72 1.49 -0.73 0.00 0.00 179.01 178.88 2qt9 h GLU 205 N -0.79 0.66 0.00 1.92 4.57 -1.27 -0.92 114.58 118.75 2qt9 h GLU 205 Ca -0.06 -0.58 -0.31 0.00 -1.18 0.00 0.00 59.36 57.23 2qt9 h GLU 205 Cb 0.54 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 2qt9 h GLU 205 CO 0.10 1.19 -2.19 0.39 -1.18 0.00 0.00 179.01 177.32 2qt9 n GLU 206 N -4.05 1.05 -0.09 1.92 -0.58 0.03 -4.47 120.64 114.45 2qt9 n GLU 206 Ca -0.09 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.56 2qt9 n GLU 206 Cb 0.72 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 2qt9 n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2qt9 n VAL 207 N -2.76 1.48 0.27 2.62 0.31 -1.10 -4.74 118.33 114.41 2qt9 n VAL 207 Ca -0.30 0.07 0.11 0.00 -0.01 0.00 0.00 64.34 64.20 2qt9 n VAL 207 Cb 1.02 -2.25 -0.09 0.00 -0.91 0.00 0.00 33.84 31.60 2qt9 n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2qt9 n PHE 208 N -4.48 0.21 -3.90 3.52 3.72 0.10 -4.98 117.46 111.66 2qt9 n PHE 208 Ca -0.20 0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 56.96 2qt9 n PHE 208 Cb 0.50 -0.49 0.03 0.00 -0.94 0.00 0.00 39.48 38.58 2qt9 n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qt9 n SER 209 N -2.16 -4.77 -3.51 4.37 7.64 -0.37 -4.92 113.62 109.90 2qt9 n SER 209 Ca -0.01 -0.77 -0.09 0.00 1.01 0.00 0.00 58.87 59.01 2qt9 n SER 209 Cb 0.51 -3.94 -0.02 0.00 -1.01 0.00 0.00 64.21 59.75 2qt9 n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qt9 s ALA 210 N -3.32 -1.83 -0.07 -0.43 0.00 -1.06 -4.99 121.76 110.06 2qt9 s ALA 210 Ca 0.64 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2qt9 s ALA 210 Cb -0.32 0.30 -0.26 0.00 0.00 0.00 0.00 23.12 22.84 2qt9 s ALA 210 CO 0.83 -0.64 0.57 -0.92 0.00 0.00 0.00 175.76 175.59 2qt9 h TYR 211 N 2.07 0.33 -3.98 0.00 3.20 -1.86 -3.38 116.97 113.35 2qt9 h TYR 211 Ca -0.22 -0.24 -0.49 0.00 3.14 0.00 0.00 58.73 60.92 2qt9 h TYR 211 Cb 1.23 -0.01 0.03 0.00 1.54 0.00 0.00 36.73 39.52 2qt9 h TYR 211 CO 0.26 1.45 0.44 -1.54 -1.64 0.00 0.00 178.16 177.13 2qt9 s SER 212 N -6.73 6.55 -0.32 -2.11 1.04 -1.26 -0.57 113.70 110.30 2qt9 s SER 212 Ca -0.14 2.12 0.16 0.00 0.48 0.00 0.00 55.95 58.57 2qt9 s SER 212 Cb 0.07 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 64.07 2qt9 s SER 212 CO 0.81 -0.64 1.05 0.00 0.98 0.00 0.00 173.24 175.43 2qt9 n ALA 213 N -0.24 3.70 -2.92 5.32 0.00 0.17 -4.66 120.51 121.87 2qt9 n ALA 213 Ca 0.06 -3.34 -0.11 0.00 0.00 0.00 0.00 53.44 50.06 2qt9 n ALA 213 Cb 0.49 -0.78 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 2qt9 n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2qt9 s LEU 214 N -3.43 2.17 -0.15 0.00 0.05 -1.24 -1.47 118.68 114.61 2qt9 s LEU 214 Ca 0.34 -0.35 -0.04 0.00 0.05 0.00 0.00 54.13 54.12 2qt9 s LEU 214 Cb 0.41 0.02 0.05 0.00 -2.05 0.00 0.00 46.19 44.62 2qt9 s LEU 214 CO -0.02 -0.19 0.08 0.26 -0.55 0.00 0.00 176.35 175.93 2qt9 s TRP 215 N -0.99 0.23 0.41 3.48 0.51 0.38 -4.98 118.94 117.97 2qt9 s TRP 215 Ca -0.10 -0.25 -0.25 0.00 -2.12 0.00 0.00 56.10 53.38 2qt9 s TRP 215 Cb -0.07 -0.68 -0.08 0.00 -0.81 0.00 0.00 33.47 31.83 2qt9 s TRP 215 CO -0.01 -0.46 1.16 -1.58 -0.51 0.00 0.00 176.95 175.56 2qt9 s TRP 216 N 2.12 3.06 0.86 -1.98 0.52 -1.26 -1.45 118.94 120.81 2qt9 s TRP 216 Ca 0.02 1.56 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 2qt9 s TRP 216 Cb -0.15 -3.38 0.11 0.00 -1.15 0.00 0.00 33.47 28.89 2qt9 s TRP 216 CO -0.08 -1.31 1.09 -1.54 0.02 0.00 0.00 176.95 175.14 2qt9 s SER 217 N -1.18 3.86 0.21 2.95 1.04 0.27 -4.89 113.70 115.96 2qt9 s SER 217 Ca 0.58 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 58.25 2qt9 s SER 217 Cb -0.30 -2.11 0.20 0.00 0.10 0.00 0.00 66.02 63.91 2qt9 s SER 217 CO 0.38 -2.38 1.59 -0.65 0.98 0.00 0.00 173.24 173.16 2qt9 h PRO 218 N -1.37 -0.08 -0.54 4.02 0.11 -1.90 -0.87 132.00 131.37 2qt9 h PRO 218 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qt9 h PRO 218 Cb 1.28 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qt9 h PRO 218 CO 0.56 -0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.57 2qt9 n ASN 219 N -5.46 3.05 0.00 -2.05 0.23 -1.26 -4.43 115.26 105.34 2qt9 n ASN 219 Ca 0.07 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 2qt9 n ASN 219 Cb 0.36 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 2qt9 n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qt9 n GLY 220 N 1.41 0.80 0.09 4.83 0.00 -0.33 -4.68 105.19 107.30 2qt9 n GLY 220 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2qt9 n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qt9 h THR 221 N 0.00 1.26 -2.92 2.61 2.02 -1.93 -3.45 112.91 110.50 2qt9 h THR 221 Ca 0.00 -0.81 -0.62 0.00 0.77 0.00 0.00 66.41 65.76 2qt9 h THR 221 Cb 0.00 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2qt9 h THR 221 CO 0.00 0.23 -0.51 -0.36 0.37 0.00 0.00 175.52 175.24 2qt9 s PHE 222 N -4.94 3.46 -0.18 3.16 0.08 -1.26 -0.64 117.98 117.65 2qt9 s PHE 222 Ca -0.14 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.12 2qt9 s PHE 222 Cb 0.05 -1.73 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2qt9 s PHE 222 CO 0.70 0.57 -0.08 -1.17 -0.10 0.00 0.00 175.22 175.14 2qt9 s LEU 223 N -2.56 1.97 0.10 -0.37 2.96 0.15 -0.57 118.68 120.37 2qt9 s LEU 223 Ca 0.34 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2qt9 s LEU 223 Cb -0.13 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2qt9 s LEU 223 CO 0.27 -0.16 0.22 0.00 -1.32 0.00 0.00 176.35 175.36 2qt9 s ALA 224 N 1.50 3.91 0.10 5.97 0.00 -0.53 -0.86 121.76 131.86 2qt9 s ALA 224 Ca -0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 2qt9 s ALA 224 Cb -0.16 -1.73 0.08 0.00 0.00 0.00 0.00 23.12 21.31 2qt9 s ALA 224 CO -0.08 0.68 0.67 1.52 0.00 0.00 0.00 175.76 178.55 2qt9 s TYR 225 N -1.61 -0.51 0.21 0.00 1.13 -0.06 -0.47 117.35 116.03 2qt9 s TYR 225 Ca 0.34 0.40 0.07 0.00 -1.41 0.00 0.00 57.07 56.47 2qt9 s TYR 225 Cb -0.12 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 2qt9 s TYR 225 CO 0.27 -0.76 0.12 0.00 -2.51 0.00 0.00 175.55 172.68 2qt9 s ALA 226 N -3.29 3.47 -0.09 9.51 0.00 -0.54 -0.95 121.76 129.87 2qt9 s ALA 226 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2qt9 s ALA 226 Cb -0.01 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2qt9 s ALA 226 CO -0.09 0.38 -0.11 -1.14 0.00 0.00 0.00 175.76 174.80 2qt9 s GLN 227 N -3.41 1.69 -0.08 0.00 0.74 0.54 -1.44 119.66 117.71 2qt9 s GLN 227 Ca 0.31 -0.37 -0.00 0.00 0.05 0.00 0.00 55.36 55.35 2qt9 s GLN 227 Cb -0.09 -1.53 -0.03 0.00 1.10 0.00 0.00 33.01 32.46 2qt9 s GLN 227 CO 0.23 -0.10 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.76 2qt9 s PHE 228 N 1.11 3.00 -0.25 1.67 0.08 -0.14 -0.74 117.98 122.71 2qt9 s PHE 228 Ca -0.06 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.04 2qt9 s PHE 228 Cb -0.14 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2qt9 s PHE 228 CO -0.02 0.35 -0.09 1.21 -0.10 0.00 0.00 175.22 176.57 2qt9 s ASN 229 N -0.75 4.29 -0.16 1.36 3.84 -0.46 -1.14 114.94 121.92 2qt9 s ASN 229 Ca 0.11 -1.12 0.16 0.00 0.21 0.00 0.00 52.86 52.22 2qt9 s ASN 229 Cb -0.11 -1.60 0.59 0.00 -0.55 0.00 0.00 41.25 39.58 2qt9 s ASN 229 CO 0.02 -0.16 1.50 0.47 -2.79 0.00 0.00 177.10 176.14 2qt9 n ASP 230 N 4.56 4.29 -0.31 -4.21 9.92 0.82 -1.57 116.55 130.05 2qt9 n ASP 230 Ca -0.16 -2.80 0.09 0.00 -0.53 0.00 0.00 54.79 51.40 2qt9 n ASP 230 Cb 0.45 -0.54 0.21 0.00 -0.64 0.00 0.00 41.12 40.60 2qt9 n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2qt9 h THR 231 N 2.60 0.16 -0.64 -3.53 2.02 -1.86 -0.76 112.91 110.90 2qt9 h THR 231 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2qt9 h THR 231 Cb 1.48 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2qt9 h THR 231 CO 0.26 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.54 2qt9 n GLU 232 N -5.44 2.85 -2.55 6.66 1.02 -1.26 -4.95 120.64 116.97 2qt9 n GLU 232 Ca 0.18 -2.56 -0.42 0.00 -0.02 0.00 0.00 57.16 54.34 2qt9 n GLU 232 Cb 0.60 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 2qt9 n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qt9 s VAL 233 N -1.09 4.44 0.71 2.62 1.01 -0.29 -4.72 120.40 123.08 2qt9 s VAL 233 Ca 0.44 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 64.02 2qt9 s VAL 233 Cb 0.23 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2qt9 s VAL 233 CO 0.29 0.08 1.16 -2.84 0.00 0.00 0.00 175.10 173.79 2qt9 s PRO 234 N 1.46 2.35 -0.14 2.72 0.02 -1.26 -4.70 135.00 135.44 2qt9 s PRO 234 Ca 0.55 1.58 -0.07 0.00 0.02 0.00 0.00 61.00 63.08 2qt9 s PRO 234 Cb -0.24 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 2qt9 s PRO 234 CO 0.25 -1.64 0.10 -0.51 -0.33 0.00 0.00 177.00 174.88 2qt9 s LEU 235 N -5.13 4.12 0.06 -5.54 1.43 -1.26 -1.09 118.68 111.26 2qt9 s LEU 235 Ca 0.71 0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.91 2qt9 s LEU 235 Cb -0.25 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2qt9 s LEU 235 CO 0.45 0.32 0.58 -0.51 0.23 0.00 0.00 176.35 177.42 2qt9 s ILE 236 N -0.51 4.77 -0.04 -0.59 1.10 -0.39 -4.87 121.20 120.66 2qt9 s ILE 236 Ca 0.11 1.23 0.02 0.00 -0.51 0.00 0.00 60.65 61.51 2qt9 s ILE 236 Cb -0.12 -3.91 0.01 0.00 0.15 0.00 0.00 42.46 38.59 2qt9 s ILE 236 CO 0.02 0.52 -0.10 -1.61 -2.11 0.00 0.00 174.94 171.66 2qt9 s GLU 237 N -0.88 1.21 0.08 3.50 2.02 -1.26 -1.63 118.70 121.75 2qt9 s GLU 237 Ca 0.30 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.86 2qt9 s GLU 237 Cb -0.19 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 32.97 2qt9 s GLU 237 CO 0.19 0.06 0.24 1.52 0.02 0.00 0.00 175.26 177.29 2qt9 s TYR 238 N 0.47 0.04 0.35 1.61 1.13 -0.84 -4.97 117.35 115.15 2qt9 s TYR 238 Ca -0.08 -0.39 -0.19 0.00 -1.41 0.00 0.00 57.07 54.99 2qt9 s TYR 238 Cb -0.12 0.02 -0.10 0.00 -1.10 0.00 0.00 41.96 40.66 2qt9 s TYR 238 CO 0.02 -0.55 0.84 -1.12 -2.51 0.00 0.00 175.55 172.22 2qt9 s SER 239 N -2.66 6.93 -0.10 -0.18 0.01 -1.26 -0.17 113.70 116.27 2qt9 s SER 239 Ca 0.02 1.52 0.01 0.00 1.31 0.00 0.00 55.95 58.81 2qt9 s SER 239 Cb 0.03 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2qt9 s SER 239 CO -0.09 -0.23 -0.11 0.12 0.41 0.00 0.00 173.24 173.34 2qt9 s PHE 240 N -1.97 1.64 -0.02 2.43 5.36 0.14 -4.69 117.98 120.87 2qt9 s PHE 240 Ca 0.56 -0.76 0.07 0.00 -0.96 0.00 0.00 56.93 55.83 2qt9 s PHE 240 Cb -0.11 -1.26 -0.24 0.00 -0.34 0.00 0.00 43.02 41.07 2qt9 s PHE 240 CO 0.17 -0.45 0.76 1.88 -1.46 0.00 0.00 175.22 176.12 2qt9 h TYR 241 N 7.65 0.12 -1.16 10.12 -1.99 -1.96 0.71 116.97 130.47 2qt9 h TYR 241 Ca -0.31 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.33 2qt9 h TYR 241 Cb 1.16 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 2qt9 h TYR 241 CO 0.48 1.15 0.00 0.45 -0.00 0.00 0.00 178.16 180.23 2qt9 n SER 242 N -3.21 -3.49 -4.72 3.88 2.88 -1.26 -4.73 113.62 102.98 2qt9 n SER 242 Ca -0.16 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.06 2qt9 n SER 242 Cb 1.03 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.61 2qt9 n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2qt9 s ASP 243 N -4.00 3.79 0.53 -3.46 1.01 -1.26 -4.88 116.67 108.40 2qt9 s ASP 243 Ca 0.00 2.15 0.25 0.00 0.71 0.00 0.00 52.55 55.66 2qt9 s ASP 243 Cb 0.00 -2.56 1.40 0.00 1.01 0.00 0.00 42.92 42.77 2qt9 s ASP 243 CO 0.00 -2.52 1.99 -0.08 0.21 0.00 0.00 175.17 174.77 2qt9 h GLU 244 N -1.11 0.00 0.00 8.23 4.81 -2.05 -1.56 114.58 122.89 2qt9 h GLU 244 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2qt9 h GLU 244 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 2qt9 h GLU 244 CO 0.47 0.00 -0.09 0.66 -0.73 0.00 0.00 179.01 179.32 2qt9 h SER 245 N 0.00 0.00 -2.72 1.04 4.64 -1.93 -3.42 113.55 111.16 2qt9 h SER 245 Ca 0.25 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.02 2qt9 h SER 245 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2qt9 h SER 245 CO -0.00 0.09 1.05 -0.22 -0.87 0.00 0.00 176.83 176.88 2qt9 s LEU 246 N -7.21 4.20 0.03 5.97 2.96 -0.59 -4.90 118.68 119.13 2qt9 s LEU 246 Ca -0.03 1.97 -0.18 0.00 -0.22 0.00 0.00 54.13 55.67 2qt9 s LEU 246 Cb 0.13 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 43.08 2qt9 s LEU 246 CO 0.57 -0.95 1.16 -0.61 -1.32 0.00 0.00 176.35 175.20 2qt9 h GLN 247 N 9.44 0.49 -5.35 1.98 4.15 -1.89 -3.44 115.11 120.49 2qt9 h GLN 247 Ca -0.35 -0.47 -0.64 0.00 0.77 0.00 0.00 58.65 57.96 2qt9 h GLN 247 Cb 1.15 0.12 -0.22 0.00 0.21 0.00 0.00 27.48 28.75 2qt9 h GLN 247 CO 0.97 1.11 -0.68 0.71 -1.93 0.00 0.00 178.83 179.01 2qt9 s TYR 248 N -3.42 3.00 0.67 3.99 2.02 -1.26 -5.10 117.35 117.26 2qt9 s TYR 248 Ca -0.13 -0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 2qt9 s TYR 248 Cb 0.05 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2qt9 s TYR 248 CO 0.84 -0.02 1.25 -2.14 -1.57 0.00 0.00 175.55 173.90 2qt9 s PRO 249 N 0.28 2.45 0.16 -1.71 0.02 -1.26 -4.99 135.00 129.95 2qt9 s PRO 249 Ca -0.04 1.93 -0.12 0.00 0.02 0.00 0.00 61.00 62.79 2qt9 s PRO 249 Cb -0.14 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 2qt9 s PRO 249 CO 0.03 -1.64 0.52 0.21 -0.33 0.00 0.00 177.00 175.79 2qt9 s LYS 250 N -3.56 3.87 -0.32 5.54 2.20 0.24 -4.90 119.74 122.82 2qt9 s LYS 250 Ca 0.79 0.35 -0.10 0.00 -0.36 0.00 0.00 55.97 56.65 2qt9 s LYS 250 Cb -0.34 -2.85 -0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2qt9 s LYS 250 CO 0.41 0.44 0.16 0.99 -0.36 0.00 0.00 175.35 176.99 2qt9 s THR 251 N -1.57 4.64 0.02 3.43 2.01 -1.26 0.29 115.64 123.19 2qt9 s THR 251 Ca 0.40 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.68 2qt9 s THR 251 Cb -0.14 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2qt9 s THR 251 CO 0.20 0.02 0.79 -0.69 -0.69 0.00 0.00 174.62 174.25 2qt9 s VAL 252 N 1.61 4.81 -0.15 3.82 1.01 0.75 -4.92 120.40 127.34 2qt9 s VAL 252 Ca 0.04 1.66 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 2qt9 s VAL 252 Cb -0.17 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.11 2qt9 s VAL 252 CO 0.07 0.31 -0.07 -0.13 0.00 0.00 0.00 175.10 175.28 2qt9 s ARG 253 N 0.27 1.55 -0.06 2.72 0.52 -1.26 -1.98 118.95 120.69 2qt9 s ARG 253 Ca 0.40 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.19 2qt9 s ARG 253 Cb -0.20 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.40 2qt9 s ARG 253 CO 0.23 -0.36 -0.10 0.08 0.02 0.00 0.00 175.30 175.17 2qt9 s VAL 254 N 1.64 0.97 -0.08 3.52 1.01 -0.64 -4.96 120.40 121.86 2qt9 s VAL 254 Ca 0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2qt9 s VAL 254 Cb -0.14 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 2qt9 s VAL 254 CO -0.08 0.32 2.01 -2.84 0.00 0.00 0.00 175.10 174.51 2qt9 s PRO 255 N 0.84 3.76 -0.19 2.72 0.02 -1.26 -1.27 135.00 139.62 2qt9 s PRO 255 Ca -0.12 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.17 2qt9 s PRO 255 Cb -0.15 -4.22 0.09 0.00 0.02 0.00 0.00 34.50 30.24 2qt9 s PRO 255 CO 0.02 -1.38 0.29 -0.47 -0.33 0.00 0.00 177.00 175.12 2qt9 s TYR 256 N 5.85 -0.50 -0.43 6.54 6.14 -0.25 -4.41 117.35 130.29 2qt9 s TYR 256 Ca 0.91 0.70 -0.24 0.00 0.64 0.00 0.00 57.07 59.07 2qt9 s TYR 256 Cb -0.37 -0.12 0.02 0.00 0.42 0.00 0.00 41.96 41.91 2qt9 s TYR 256 CO 0.38 -0.54 0.86 -1.25 0.64 0.00 0.00 175.55 175.64 2qt9 s PRO 257 N 2.43 3.59 0.86 4.97 0.04 -1.26 -4.49 135.00 141.14 2qt9 s PRO 257 Ca 0.06 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.16 2qt9 s PRO 257 Cb -0.14 -3.89 0.11 0.00 0.04 0.00 0.00 34.50 30.62 2qt9 s PRO 257 CO -0.12 -1.09 1.16 0.15 0.04 0.00 0.00 177.00 177.14 2qt9 s LYS 258 N 3.48 1.57 -0.02 4.56 1.02 -1.26 -0.52 119.74 128.56 2qt9 s LYS 258 Ca 0.34 0.20 -0.36 0.00 0.02 0.00 0.00 55.97 56.17 2qt9 s LYS 258 Cb -0.11 -1.90 -0.15 0.00 -0.52 0.00 0.00 37.83 35.15 2qt9 s LYS 258 CO 0.23 -1.89 1.61 0.00 -0.92 0.00 0.00 175.35 174.38 2qt9 n ALA 259 N -3.53 0.17 -0.30 5.17 0.00 -0.09 -1.20 120.51 120.73 2qt9 n ALA 259 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2qt9 n ALA 259 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2qt9 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qt9 n GLY 260 N 3.55 2.17 3.91 0.00 0.00 -1.26 -4.84 105.19 108.72 2qt9 n GLY 260 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2qt9 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt9 s ALA 261 N -3.21 2.25 0.05 4.61 0.00 -0.34 -4.99 121.76 120.13 2qt9 s ALA 261 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 2qt9 s ALA 261 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 2qt9 s ALA 261 CO 0.00 -2.33 1.50 0.08 0.00 0.00 0.00 175.76 175.01 2qt9 s VAL 262 N -3.79 3.37 0.47 0.00 1.01 -1.26 -4.90 120.40 115.30 2qt9 s VAL 262 Ca 0.71 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 2qt9 s VAL 262 Cb -0.06 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2qt9 s VAL 262 CO 0.52 0.01 0.72 0.20 0.00 0.00 0.00 175.10 176.55 2qt9 s ASN 263 N 1.93 5.87 0.59 3.32 0.01 -1.26 -4.41 114.94 120.99 2qt9 s ASN 263 Ca 0.68 0.46 -0.15 0.00 -0.71 0.00 0.00 52.86 53.14 2qt9 s ASN 263 Cb -0.36 -1.69 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 2qt9 s ASN 263 CO 0.29 -0.73 1.04 -2.16 -1.51 0.00 0.00 177.10 174.03 2qt9 s PRO 264 N -4.65 3.42 0.36 -0.60 0.04 -1.26 -4.74 135.00 127.57 2qt9 s PRO 264 Ca 0.49 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.68 2qt9 s PRO 264 Cb -0.10 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2qt9 s PRO 264 CO 0.40 -0.72 0.35 0.95 0.04 0.00 0.00 177.00 178.02 2qt9 s THR 265 N -2.64 3.33 0.02 1.26 -4.23 -0.61 -4.91 115.64 107.86 2qt9 s THR 265 Ca 0.61 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 2qt9 s THR 265 Cb -0.14 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 2qt9 s THR 265 CO 0.40 -0.12 0.01 0.54 -0.54 0.00 0.00 174.62 174.91 2qt9 s VAL 266 N -2.34 0.11 0.09 2.29 0.11 -1.26 -1.35 120.40 118.04 2qt9 s VAL 266 Ca 0.44 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 2qt9 s VAL 266 Cb -0.06 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2qt9 s VAL 266 CO 0.28 -0.48 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.91 2qt9 s LYS 267 N -1.52 0.82 -0.04 1.54 1.02 0.08 -4.97 119.74 116.67 2qt9 s LYS 267 Ca -0.15 -1.07 0.05 0.00 0.02 0.00 0.00 55.97 54.82 2qt9 s LYS 267 Cb -0.09 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 2qt9 s LYS 267 CO -0.01 0.11 -0.20 0.12 -0.92 0.00 0.00 175.35 174.46 2qt9 s PHE 268 N -2.02 1.88 0.08 3.18 5.36 -1.26 -0.34 117.98 124.87 2qt9 s PHE 268 Ca 0.02 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 2qt9 s PHE 268 Cb -0.06 -1.24 -0.04 0.00 -0.34 0.00 0.00 43.02 41.34 2qt9 s PHE 268 CO 0.01 -0.13 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.52 2qt9 s PHE 269 N -0.17 0.75 -0.03 10.12 0.40 -0.13 -1.35 117.98 127.57 2qt9 s PHE 269 Ca 0.00 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 2qt9 s PHE 269 Cb -0.11 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 42.98 2qt9 s PHE 269 CO 0.01 -0.23 -0.01 0.08 0.70 0.00 0.00 175.22 175.78 2qt9 s VAL 270 N -3.62 0.28 0.05 -0.44 1.01 0.19 -0.88 120.40 116.98 2qt9 s VAL 270 Ca 0.09 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.17 2qt9 s VAL 270 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2qt9 s VAL 270 CO -0.06 0.16 -0.24 0.54 0.00 0.00 0.00 175.10 175.50 2qt9 s VAL 271 N 0.93 1.93 -0.64 2.92 0.11 -0.04 -0.58 120.40 125.04 2qt9 s VAL 271 Ca -0.10 -1.34 -0.22 0.00 -2.93 0.00 0.00 61.98 57.39 2qt9 s VAL 271 Cb -0.13 -1.67 0.08 0.00 -1.53 0.00 0.00 36.38 33.12 2qt9 s VAL 271 CO -0.01 0.26 0.90 0.21 -3.33 0.00 0.00 175.10 173.13 2qt9 s ASN 272 N -1.30 6.18 0.57 3.54 3.04 -1.26 -0.67 114.94 125.03 2qt9 s ASN 272 Ca 0.10 -1.07 0.37 0.00 0.04 0.00 0.00 52.86 52.30 2qt9 s ASN 272 Cb -0.09 -2.39 1.74 0.00 -1.54 0.00 0.00 41.25 38.97 2qt9 s ASN 272 CO 0.02 -1.36 2.10 0.71 -3.04 0.00 0.00 177.10 175.54 2qt9 h THR 273 N 5.96 0.00 0.00 -5.21 1.35 -1.19 -2.23 112.91 111.60 2qt9 h THR 273 Ca -0.29 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2qt9 h THR 273 Cb 1.07 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2qt9 h THR 273 CO 1.16 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 176.87 2qt9 h ASP 274 N 0.00 0.00 0.06 5.36 3.32 -1.87 -2.84 116.42 120.45 2qt9 h ASP 274 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qt9 h ASP 274 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2qt9 h ASP 274 CO 0.00 0.00 -0.35 -1.54 -1.72 0.00 0.00 179.24 175.63 2qt9 n SER 275 N -2.33 1.76 -0.30 6.45 3.41 -0.84 -4.51 113.62 117.26 2qt9 n SER 275 Ca 0.02 -1.35 0.05 0.00 -0.26 0.00 0.00 58.87 57.33 2qt9 n SER 275 Cb 0.27 0.31 0.20 0.00 -0.26 0.00 0.00 64.21 64.73 2qt9 n SER 275 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qt9 h LEU 276 N 2.21 0.65 -0.54 1.04 3.38 -1.61 -0.66 115.31 119.79 2qt9 h LEU 276 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qt9 h LEU 276 Cb 0.68 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2qt9 h LEU 276 CO 0.00 0.33 0.00 -1.54 0.09 0.00 0.00 178.44 177.32 2qt9 n SER 277 N -4.78 0.79 -0.00 -0.43 3.41 -1.26 -3.76 113.62 107.59 2qt9 n SER 277 Ca 0.16 -1.78 0.02 0.00 -0.26 0.00 0.00 58.87 57.01 2qt9 n SER 277 Cb 0.35 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2qt9 n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2qt9 n SER 278 N -0.16 3.77 -4.21 4.04 7.64 -0.30 -5.03 113.62 119.36 2qt9 n SER 278 Ca 0.10 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.76 2qt9 n SER 278 Cb 0.16 1.18 -0.13 0.00 -1.01 0.00 0.00 64.21 64.41 2qt9 n SER 278 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2qt9 s VAL 279 N -2.35 1.40 0.38 0.44 -7.23 -0.92 -5.05 120.40 107.08 2qt9 s VAL 279 Ca -0.02 -1.28 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 2qt9 s VAL 279 Cb 0.03 -1.27 0.19 0.00 0.56 0.00 0.00 36.38 35.89 2qt9 s VAL 279 CO 0.22 -0.04 1.95 0.71 -0.31 0.00 0.00 175.10 177.64 2qt9 h THR 280 N 4.29 1.15 -2.06 5.32 1.35 -1.91 -3.39 112.91 117.67 2qt9 h THR 280 Ca -0.42 -0.58 -0.42 0.00 -0.55 0.00 0.00 66.41 64.44 2qt9 h THR 280 Cb 1.18 0.93 -0.32 0.00 -1.73 0.00 0.00 68.15 68.20 2qt9 h THR 280 CO 0.42 0.20 -0.73 0.21 -0.25 0.00 0.00 175.52 175.36 2qt9 s ASN 281 N -6.80 1.39 0.23 5.36 2.47 -1.26 -5.04 114.94 111.29 2qt9 s ASN 281 Ca -0.07 -1.84 -0.32 0.00 0.42 0.00 0.00 52.86 51.05 2qt9 s ASN 281 Cb 0.16 0.36 -0.13 0.00 -1.45 0.00 0.00 41.25 40.19 2qt9 s ASN 281 CO 0.74 -0.25 1.49 0.00 -3.72 0.00 0.00 177.10 175.36 2qt9 n ALA 282 N 4.01 1.44 -2.49 1.71 0.00 -1.26 -4.92 120.51 119.00 2qt9 n ALA 282 Ca 0.13 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 2qt9 n ALA 282 Cb 0.44 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2qt9 n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qt9 s THR 283 N 0.25 4.30 -0.42 0.00 2.01 -1.26 -5.01 115.64 115.52 2qt9 s THR 283 Ca 0.71 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 64.10 2qt9 s THR 283 Cb -0.63 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 67.85 2qt9 s THR 283 CO 0.46 0.02 0.82 -0.44 -0.69 0.00 0.00 174.62 174.78 2qt9 s SER 284 N 1.38 6.49 -0.19 3.53 0.01 -1.26 -4.51 113.70 119.16 2qt9 s SER 284 Ca 0.55 0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.68 2qt9 s SER 284 Cb -0.24 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2qt9 s SER 284 CO 0.22 -0.88 0.90 -0.63 0.41 0.00 0.00 173.24 173.27 2qt9 s ILE 285 N 3.33 4.81 0.25 1.44 -1.09 0.25 -4.79 121.20 125.41 2qt9 s ILE 285 Ca 0.32 1.76 -0.22 0.00 -2.23 0.00 0.00 60.65 60.28 2qt9 s ILE 285 Cb -0.12 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.48 2qt9 s ILE 285 CO 0.21 -0.04 0.80 -1.58 -1.23 0.00 0.00 174.94 173.10 2qt9 s GLN 286 N 2.50 4.37 -0.23 2.79 0.74 -1.26 -0.64 119.66 127.93 2qt9 s GLN 286 Ca 0.40 1.03 0.00 0.00 0.05 0.00 0.00 55.36 56.84 2qt9 s GLN 286 Cb -0.16 -2.86 0.03 0.00 1.10 0.00 0.00 33.01 31.12 2qt9 s GLN 286 CO 0.11 0.36 -0.11 0.42 -0.55 0.00 0.00 175.29 175.51 2qt9 s ILE 287 N -1.55 2.44 0.40 -2.34 1.01 -0.46 -4.88 121.20 115.82 2qt9 s ILE 287 Ca 0.45 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2qt9 s ILE 287 Cb -0.17 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 2qt9 s ILE 287 CO 0.22 0.23 0.83 0.42 0.00 0.00 0.00 174.94 176.64 2qt9 s THR 288 N 1.25 4.61 0.67 2.92 -4.23 -1.26 -4.25 115.64 115.35 2qt9 s THR 288 Ca -0.01 1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 61.39 2qt9 s THR 288 Cb -0.17 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.03 2qt9 s THR 288 CO -0.07 -0.37 1.13 0.00 -0.54 0.00 0.00 174.62 174.77 2qt9 s ALA 289 N -2.22 2.39 0.73 3.99 0.00 -1.26 -4.98 121.76 120.42 2qt9 s ALA 289 Ca 0.56 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 2qt9 s ALA 289 Cb -0.10 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2qt9 s ALA 289 CO 0.22 -1.40 1.15 -1.25 0.00 0.00 0.00 175.76 174.48 2qt9 s PRO 290 N -4.04 2.25 0.41 0.00 0.04 -1.26 -4.71 135.00 127.70 2qt9 s PRO 290 Ca 0.69 1.54 0.15 0.00 0.04 0.00 0.00 61.00 63.41 2qt9 s PRO 290 Cb -0.22 -1.87 1.02 0.00 0.04 0.00 0.00 34.50 33.47 2qt9 s PRO 290 CO 0.42 -1.70 1.90 0.00 0.04 0.00 0.00 177.00 177.65 2qt9 h ALA 291 N -0.47 2.09 0.00 8.56 0.00 -1.98 0.29 119.26 127.75 2qt9 h ALA 291 Ca -0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qt9 h ALA 291 Cb 1.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qt9 h ALA 291 CO 0.50 -0.32 -0.00 0.66 0.00 0.00 0.00 179.25 180.09 2qt9 h SER 292 N 0.46 0.00 0.04 0.00 4.64 -2.03 -2.62 113.55 114.05 2qt9 h SER 292 Ca 0.41 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.35 2qt9 h SER 292 Cb 0.91 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.94 2qt9 h SER 292 CO -0.15 0.00 -2.34 0.23 -0.87 0.00 0.00 176.83 173.71 2qt9 n MET 293 N -3.25 0.68 0.31 4.77 2.00 0.93 -4.33 117.12 118.23 2qt9 n MET 293 Ca -0.03 0.17 0.19 0.00 0.00 0.00 0.00 57.70 58.03 2qt9 n MET 293 Cb 0.09 -1.57 1.02 0.00 0.00 0.00 0.00 33.22 32.76 2qt9 n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2qt9 h LEU 294 N 0.02 0.00 -2.36 4.03 3.38 -0.95 -2.46 115.31 116.98 2qt9 h LEU 294 Ca -0.53 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.46 2qt9 h LEU 294 Cb 1.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 2qt9 h LEU 294 CO -0.03 0.02 0.19 0.16 0.09 0.00 0.00 178.44 178.86 2qt9 h ILE 295 N 0.00 0.23 -1.65 1.22 3.07 -1.67 -3.45 117.51 115.26 2qt9 h ILE 295 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2qt9 h ILE 295 Cb 0.10 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 2qt9 h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2qt9 n GLY 296 N -1.28 2.70 3.76 0.16 0.00 -0.93 -5.14 105.19 104.48 2qt9 n GLY 296 Ca -0.00 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2qt9 n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qt9 s ASP 297 N -0.01 5.92 0.33 1.61 1.01 -1.26 -4.95 116.67 119.32 2qt9 s ASP 297 Ca 0.00 2.70 -0.10 0.00 0.71 0.00 0.00 52.55 55.85 2qt9 s ASP 297 Cb 0.00 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.31 2qt9 s ASP 297 CO 0.00 -1.12 0.60 -1.38 0.21 0.00 0.00 175.17 173.48 2qt9 s HIS 298 N -1.30 0.50 0.10 4.23 -3.43 -1.26 -1.58 115.29 112.56 2qt9 s HIS 298 Ca 0.63 -0.93 0.03 0.00 -0.80 0.00 0.00 55.06 53.98 2qt9 s HIS 298 Cb -0.39 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 2qt9 s HIS 298 CO 0.48 -1.27 -0.09 0.71 -2.00 0.00 0.00 174.74 172.58 2qt9 s TYR 299 N -3.05 1.02 -0.34 0.38 2.02 0.91 -4.82 117.35 113.47 2qt9 s TYR 299 Ca 0.22 -0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 56.07 2qt9 s TYR 299 Cb -0.03 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 2qt9 s TYR 299 CO 0.14 -0.03 0.23 -1.17 -1.57 0.00 0.00 175.55 173.15 2qt9 s LEU 300 N -2.64 4.47 0.00 -1.29 2.96 -1.26 -1.02 118.68 119.90 2qt9 s LEU 300 Ca 0.07 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2qt9 s LEU 300 Cb -0.01 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.57 2qt9 s LEU 300 CO -0.01 -0.22 0.61 0.00 -1.32 0.00 0.00 176.35 175.40 2qt9 s ASP 302 N -1.06 -0.57 -0.04 0.00 -1.08 -1.15 -4.90 116.67 107.87 2qt9 s ASP 302 Ca 0.07 0.98 -0.02 0.00 -0.52 0.00 0.00 52.55 53.06 2qt9 s ASP 302 Cb 0.07 0.95 0.03 0.00 -1.46 0.00 0.00 42.92 42.50 2qt9 s ASP 302 CO 0.18 -0.27 0.06 -0.69 0.52 0.00 0.00 175.17 174.96 2qt9 s VAL 303 N -0.10 -0.10 -0.13 1.11 1.01 -1.26 -0.65 120.40 120.27 2qt9 s VAL 303 Ca -0.01 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2qt9 s VAL 303 Cb -0.04 -0.14 0.07 0.00 0.00 0.00 0.00 36.38 36.27 2qt9 s VAL 303 CO -0.00 0.15 0.26 -0.89 0.00 0.00 0.00 175.10 174.62 2qt9 s THR 304 N 1.88 -0.41 0.34 3.92 2.01 -0.53 -5.03 115.64 117.82 2qt9 s THR 304 Ca 0.01 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 2qt9 s THR 304 Cb -0.12 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 2qt9 s THR 304 CO -0.03 0.11 1.12 0.26 -0.69 0.00 0.00 174.62 175.39 2qt9 s TRP 305 N 2.42 3.33 -0.21 4.92 0.52 -1.26 -0.93 118.94 127.74 2qt9 s TRP 305 Ca 0.02 1.63 0.01 0.00 0.02 0.00 0.00 56.10 57.77 2qt9 s TRP 305 Cb -0.12 -3.31 -0.13 0.00 -1.15 0.00 0.00 33.47 28.75 2qt9 s TRP 305 CO -0.09 -0.87 -0.19 0.00 0.02 0.00 0.00 176.95 175.82 2qt9 n ALA 306 N 0.59 1.56 -3.55 0.98 0.00 0.92 -4.88 120.51 116.14 2qt9 n ALA 306 Ca 0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 53.44 52.51 2qt9 n ALA 306 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2qt9 n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qt9 n THR 307 N -3.14 0.00 0.27 0.00 -2.24 -0.88 -4.40 114.28 103.89 2qt9 n THR 307 Ca -0.37 -0.94 0.12 0.00 -2.27 0.00 0.00 64.05 60.60 2qt9 n THR 307 Cb 0.88 0.58 0.78 0.00 -2.10 0.00 0.00 70.33 70.47 2qt9 n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qt9 h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.98 -3.06 115.11 110.38 2qt9 h GLN 308 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2qt9 h GLN 308 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2qt9 h GLN 308 CO 0.19 0.05 -0.17 0.39 -0.95 0.00 0.00 178.83 178.35 2qt9 n GLU 309 N -3.96 0.88 -3.84 1.46 1.02 -1.26 -4.87 120.64 110.07 2qt9 n GLU 309 Ca -0.03 -2.00 -0.21 0.00 -0.02 0.00 0.00 57.16 54.90 2qt9 n GLU 309 Cb 0.14 -1.14 -0.17 0.00 -0.02 0.00 0.00 31.44 30.25 2qt9 n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2qt9 s ARG 310 N -1.83 0.51 0.03 3.49 3.52 -1.16 -1.28 118.95 122.23 2qt9 s ARG 310 Ca 0.20 0.10 0.07 0.00 -0.13 0.00 0.00 55.73 55.97 2qt9 s ARG 310 Cb 0.18 -0.82 -0.02 0.00 -1.56 0.00 0.00 34.95 32.73 2qt9 s ARG 310 CO 0.02 -0.25 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.56 2qt9 s ILE 311 N 1.68 1.63 0.04 4.11 2.07 -0.20 -0.06 121.20 130.48 2qt9 s ILE 311 Ca 0.00 -1.09 0.07 0.00 -1.41 0.00 0.00 60.65 58.22 2qt9 s ILE 311 Cb -0.13 -1.40 -0.03 0.00 0.13 0.00 0.00 42.46 41.03 2qt9 s ILE 311 CO -0.04 0.28 -0.17 -0.94 -1.91 0.00 0.00 174.94 172.16 2qt9 s SER 312 N -0.96 3.85 0.01 4.50 1.04 -0.10 -0.03 113.70 122.01 2qt9 s SER 312 Ca 0.07 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 2qt9 s SER 312 Cb -0.08 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 2qt9 s SER 312 CO 0.01 0.25 0.09 -1.48 0.98 0.00 0.00 173.24 173.09 2qt9 s LEU 313 N -1.47 1.76 0.00 2.42 2.34 -0.26 -1.45 118.68 122.02 2qt9 s LEU 313 Ca 0.15 -0.34 0.05 0.00 0.06 0.00 0.00 54.13 54.05 2qt9 s LEU 313 Cb -0.11 0.53 -0.01 0.00 -0.56 0.00 0.00 46.19 46.04 2qt9 s LEU 313 CO 0.06 -0.38 -0.15 -1.58 -1.06 0.00 0.00 176.35 173.23 2qt9 s GLN 314 N -1.66 1.14 0.17 1.48 0.74 0.17 -0.35 119.66 121.35 2qt9 s GLN 314 Ca -0.13 -0.61 0.10 0.00 0.05 0.00 0.00 55.36 54.77 2qt9 s GLN 314 Cb -0.07 -1.12 -0.04 0.00 1.10 0.00 0.00 33.01 32.88 2qt9 s GLN 314 CO -0.00 0.30 -0.19 -1.58 -0.55 0.00 0.00 175.29 173.26 2qt9 s TRP 315 N -0.50 2.43 -0.03 1.67 0.52 0.21 -0.71 118.94 122.54 2qt9 s TRP 315 Ca 0.05 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.87 2qt9 s TRP 315 Cb -0.06 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 31.05 2qt9 s TRP 315 CO 0.00 0.47 -0.05 -1.17 0.02 0.00 0.00 176.95 176.22 2qt9 s LEU 316 N -2.57 1.48 0.60 2.99 2.96 -0.19 -0.61 118.68 123.34 2qt9 s LEU 316 Ca 0.21 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 2qt9 s LEU 316 Cb -0.09 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 2qt9 s LEU 316 CO 0.11 -0.03 1.15 -0.13 -1.32 0.00 0.00 176.35 176.13 2qt9 s ARG 317 N 0.67 3.01 0.42 1.98 0.52 -0.80 -0.06 118.95 124.69 2qt9 s ARG 317 Ca -0.09 1.61 0.12 0.00 -0.52 0.00 0.00 55.73 56.86 2qt9 s ARG 317 Cb -0.12 -1.96 0.97 0.00 0.52 0.00 0.00 34.95 34.36 2qt9 s ARG 317 CO 0.00 -1.13 1.97 -0.09 0.02 0.00 0.00 175.30 176.07 2qt9 h ARG 318 N 0.68 0.47 -5.62 3.54 2.43 -1.61 -2.75 114.38 111.52 2qt9 h ARG 318 Ca -0.49 -0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.03 2qt9 h ARG 318 Cb 1.27 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 2qt9 h ARG 318 CO 0.55 0.31 0.80 0.42 -1.51 0.00 0.00 179.97 180.54 2qt9 s ILE 319 N -5.45 4.23 0.00 1.20 -1.09 -1.26 -4.89 121.20 113.94 2qt9 s ILE 319 Ca -0.08 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2qt9 s ILE 319 Cb 0.20 -4.79 -0.07 0.00 -1.58 0.00 0.00 42.46 36.22 2qt9 s ILE 319 CO 0.76 -1.60 1.28 0.00 -1.23 0.00 0.00 174.94 174.14 2qt9 n GLN 320 N 7.96 0.53 -0.01 2.79 6.02 -1.04 -3.91 117.38 129.72 2qt9 n GLN 320 Ca 0.06 -0.25 0.01 0.00 -0.01 0.00 0.00 57.00 56.82 2qt9 n GLN 320 Cb 0.47 -1.60 0.01 0.00 1.02 0.00 0.00 30.24 30.14 2qt9 n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2qt9 n ASN 321 N 2.72 1.91 -3.58 1.08 6.94 -1.26 -3.62 115.26 119.45 2qt9 n ASN 321 Ca 0.11 -2.03 -0.12 0.00 -0.02 0.00 0.00 54.58 52.51 2qt9 n ASN 321 Cb 0.24 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.52 2qt9 n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2qt9 s TYR 322 N -1.09 -0.54 0.10 -2.53 6.14 -1.25 -0.65 117.35 117.53 2qt9 s TYR 322 Ca 0.03 0.94 0.10 0.00 0.64 0.00 0.00 57.07 58.77 2qt9 s TYR 322 Cb 0.02 -0.01 -0.04 0.00 0.42 0.00 0.00 41.96 42.35 2qt9 s TYR 322 CO 0.00 -0.48 -0.26 -1.54 0.64 0.00 0.00 175.55 173.91 2qt9 s SER 323 N 2.47 3.34 -0.08 4.32 1.04 -0.34 -1.90 113.70 122.53 2qt9 s SER 323 Ca 0.04 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 2qt9 s SER 323 Cb -0.13 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.73 2qt9 s SER 323 CO -0.11 0.21 -0.04 -0.69 0.98 0.00 0.00 173.24 173.59 2qt9 s VAL 324 N -0.99 0.67 -0.22 5.02 1.01 0.22 -1.64 120.40 124.48 2qt9 s VAL 324 Ca 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 2qt9 s VAL 324 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2qt9 s VAL 324 CO 0.05 0.30 0.05 -0.32 0.00 0.00 0.00 175.10 175.19 2qt9 s MET 325 N 1.69 3.75 -0.00 2.72 1.75 0.91 -0.61 119.30 129.50 2qt9 s MET 325 Ca 0.02 -0.44 -0.01 0.00 -1.25 0.00 0.00 55.69 54.01 2qt9 s MET 325 Cb -0.13 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.26 2qt9 s MET 325 CO -0.05 0.00 0.10 -0.51 -0.65 0.00 0.00 175.02 173.91 2qt9 s ASP 326 N 1.09 5.84 -0.23 1.11 1.01 0.52 -0.51 116.67 125.50 2qt9 s ASP 326 Ca 0.04 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.50 2qt9 s ASP 326 Cb -0.14 -1.71 0.06 0.00 1.01 0.00 0.00 42.92 42.13 2qt9 s ASP 326 CO 0.03 0.27 -0.06 -0.63 0.21 0.00 0.00 175.17 174.98 2qt9 s ILE 327 N -1.23 1.59 -0.11 0.77 1.01 -1.25 -1.10 121.20 120.88 2qt9 s ILE 327 Ca 0.24 -1.22 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 2qt9 s ILE 327 Cb -0.12 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2qt9 s ILE 327 CO 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 174.94 174.94 2qt9 s ASP 329 N -0.14 5.35 0.07 0.00 1.11 -0.02 -1.03 116.67 122.01 2qt9 s ASP 329 Ca 0.01 0.05 -0.30 0.00 0.18 0.00 0.00 52.55 52.49 2qt9 s ASP 329 Cb -0.13 -1.46 -0.05 0.00 1.07 0.00 0.00 42.92 42.35 2qt9 s ASP 329 CO 0.03 0.27 0.99 -0.47 1.18 0.00 0.00 175.17 177.18 2qt9 s TYR 330 N -1.14 3.71 -0.59 4.23 5.04 -0.40 -1.52 117.35 126.68 2qt9 s TYR 330 Ca 0.21 1.72 -0.14 0.00 -2.44 0.00 0.00 57.07 56.42 2qt9 s TYR 330 Cb -0.12 -3.12 0.15 0.00 0.35 0.00 0.00 41.96 39.22 2qt9 s TYR 330 CO 0.12 -0.03 0.53 0.34 -1.34 0.00 0.00 175.55 175.17 2qt9 s ASP 331 N 0.47 6.18 0.00 4.32 -1.08 -0.01 -4.94 116.67 121.61 2qt9 s ASP 331 Ca 0.50 -2.06 0.00 0.00 -0.52 0.00 0.00 52.55 50.47 2qt9 s ASP 331 Cb -0.23 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2qt9 s ASP 331 CO 0.29 -0.75 0.90 1.21 0.52 0.00 0.00 175.17 177.35 2qt9 n GLU 332 N 4.83 0.00 -0.00 4.34 2.13 -1.26 -0.18 120.64 130.50 2qt9 n GLU 332 Ca -0.06 0.40 0.09 0.00 0.66 0.00 0.00 57.16 58.25 2qt9 n GLU 332 Cb 0.42 -1.51 -0.13 0.00 0.27 0.00 0.00 31.44 30.49 2qt9 n GLU 332 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2qt9 n SER 333 N -1.40 0.70 0.00 4.31 3.41 -1.26 -4.45 113.62 114.94 2qt9 n SER 333 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 2qt9 n SER 333 Cb 0.01 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 2qt9 n SER 333 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qt9 n SER 334 N -1.82 0.57 -1.04 4.04 3.41 -0.62 -4.99 113.62 113.18 2qt9 n SER 334 Ca -0.00 -0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 57.63 2qt9 n SER 334 Cb 0.41 0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 2qt9 n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt9 n GLY 335 N 0.20 1.27 3.92 5.00 0.00 0.75 -4.95 105.19 111.38 2qt9 n GLY 335 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2qt9 n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qt9 s ARG 336 N -3.12 2.45 -0.15 1.61 1.81 -1.22 -4.90 118.95 115.43 2qt9 s ARG 336 Ca 0.00 -1.65 0.01 0.00 -1.72 0.00 0.00 55.73 52.37 2qt9 s ARG 336 Cb 0.00 -2.38 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 2qt9 s ARG 336 CO 0.00 -0.42 -0.18 -1.58 -0.68 0.00 0.00 175.30 172.44 2qt9 s TRP 337 N -2.57 2.73 -0.07 -0.53 0.52 -1.26 -0.83 118.94 116.92 2qt9 s TRP 337 Ca 0.47 -1.16 0.05 0.00 0.02 0.00 0.00 56.10 55.48 2qt9 s TRP 337 Cb -0.04 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2qt9 s TRP 337 CO 0.28 -0.53 -0.23 -0.80 0.02 0.00 0.00 176.95 175.70 2qt9 s ASN 338 N 0.80 3.26 -0.41 2.95 0.02 -0.57 -4.92 114.94 116.08 2qt9 s ASN 338 Ca -0.06 -0.47 -0.02 0.00 -1.02 0.00 0.00 52.86 51.28 2qt9 s ASN 338 Cb -0.15 -1.04 0.11 0.00 0.02 0.00 0.00 41.25 40.18 2qt9 s ASN 338 CO -0.01 0.23 0.19 0.00 0.02 0.00 0.00 177.10 177.53 2qt9 s LEU 340 N 1.09 4.39 0.58 0.00 1.43 -1.25 -4.86 118.68 120.05 2qt9 s LEU 340 Ca 0.09 2.66 0.28 0.00 -1.03 0.00 0.00 54.13 56.13 2qt9 s LEU 340 Cb -0.22 -3.57 1.68 0.00 0.03 0.00 0.00 46.19 44.11 2qt9 s LEU 340 CO -0.05 -0.96 2.16 1.62 0.23 0.00 0.00 176.35 179.36 2qt9 h VAL 341 N 4.70 0.55 0.00 -1.59 3.04 -1.97 0.29 116.25 121.27 2qt9 h VAL 341 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2qt9 h VAL 341 Cb 1.21 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2qt9 h VAL 341 CO 0.94 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.50 2qt9 n ALA 342 N -2.36 1.60 -0.37 3.17 0.00 -1.26 -1.78 120.51 119.51 2qt9 n ALA 342 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qt9 n ALA 342 Cb 0.22 -1.27 0.19 0.00 0.00 0.00 0.00 19.45 18.59 2qt9 n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qt9 n ARG 343 N -1.73 2.91 -3.23 0.00 1.74 0.10 -4.31 116.66 112.14 2qt9 n ARG 343 Ca 0.03 -2.26 -0.39 0.00 -0.77 0.00 0.00 57.85 54.46 2qt9 n ARG 343 Cb 0.17 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 2qt9 n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qt9 s GLN 344 N -1.43 4.30 -0.06 5.56 0.74 -0.74 -3.85 119.66 124.19 2qt9 s GLN 344 Ca 0.29 0.70 0.05 0.00 0.05 0.00 0.00 55.36 56.44 2qt9 s GLN 344 Cb 0.18 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 2qt9 s GLN 344 CO 0.15 0.36 -0.22 -1.01 -0.55 0.00 0.00 175.29 174.02 2qt9 s HIS 345 N -0.16 2.22 0.05 1.67 3.76 0.33 -4.91 115.29 118.25 2qt9 s HIS 345 Ca 0.30 -0.70 0.07 0.00 -0.15 0.00 0.00 55.06 54.58 2qt9 s HIS 345 Cb -0.18 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 2qt9 s HIS 345 CO 0.16 -0.24 -0.16 0.42 -0.85 0.00 0.00 174.74 174.07 2qt9 s ILE 346 N 0.00 2.91 0.01 0.60 1.01 -1.26 -0.06 121.20 124.41 2qt9 s ILE 346 Ca -0.06 -1.20 0.05 0.00 0.00 0.00 0.00 60.65 59.43 2qt9 s ILE 346 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 2qt9 s ILE 346 CO 0.04 0.29 -0.15 -1.61 0.00 0.00 0.00 174.94 173.51 2qt9 s GLU 347 N -1.59 1.15 0.03 2.79 2.02 -0.65 -4.99 118.70 117.46 2qt9 s GLU 347 Ca 0.16 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 54.57 2qt9 s GLU 347 Cb -0.11 -1.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.97 2qt9 s GLU 347 CO 0.07 0.30 -0.12 -1.64 0.02 0.00 0.00 175.26 173.89 2qt9 s MET 348 N -0.62 0.81 0.44 1.61 -1.94 -1.26 -1.20 119.30 117.14 2qt9 s MET 348 Ca 0.05 -0.66 -0.22 0.00 -1.71 0.00 0.00 55.69 53.15 2qt9 s MET 348 Cb -0.06 -0.77 -0.09 0.00 2.01 0.00 0.00 34.83 35.92 2qt9 s MET 348 CO 0.00 0.19 1.05 -1.54 -0.01 0.00 0.00 175.02 174.71 2qt9 s SER 349 N -1.00 6.55 0.00 3.03 1.04 0.18 -4.98 113.70 118.52 2qt9 s SER 349 Ca 0.00 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2qt9 s SER 349 Cb -0.07 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2qt9 s SER 349 CO 0.01 -0.64 0.00 0.35 0.98 0.00 0.00 173.24 173.94 2qt9 n THR 350 N -0.47 0.00 1.46 2.02 -2.24 -1.26 -4.87 114.28 108.92 2qt9 n THR 350 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 2qt9 n THR 350 Cb 0.51 -0.26 0.52 0.00 -2.10 0.00 0.00 70.33 69.00 2qt9 n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qt9 n THR 351 N -0.09 0.00 0.00 4.28 -2.24 -1.26 -4.97 114.28 109.99 2qt9 n THR 351 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2qt9 n THR 351 Cb 0.00 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2qt9 n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt9 n GLY 352 N 1.21 2.54 1.07 3.38 0.00 -1.26 -4.87 105.19 107.25 2qt9 n GLY 352 Ca 0.18 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 2qt9 n GLY 352 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qt9 n TRP 353 N 0.00 -2.82 -3.68 1.61 2.14 -1.26 -4.73 117.44 108.70 2qt9 n TRP 353 Ca 0.00 -0.58 -0.37 0.00 2.07 0.00 0.00 57.50 58.62 2qt9 n TRP 353 Cb 0.00 -0.15 -0.12 0.00 -0.81 0.00 0.00 31.31 30.23 2qt9 n TRP 353 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2qt9 s VAL 354 N -0.01 4.79 0.00 -1.67 1.01 -1.24 -4.71 120.40 118.58 2qt9 s VAL 354 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2qt9 s VAL 354 Cb -0.01 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2qt9 s VAL 354 CO 0.11 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2qt9 n GLY 355 N 4.96 -1.25 0.17 4.51 0.00 -1.26 -3.60 105.19 108.72 2qt9 n GLY 355 Ca -0.15 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 2qt9 n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qt9 h ARG 356 N 0.00 -0.33 0.00 1.61 3.08 -1.94 -3.41 114.38 113.39 2qt9 h ARG 356 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2qt9 h ARG 356 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2qt9 h ARG 356 CO 0.00 -0.08 0.00 1.19 -1.07 0.00 0.00 179.97 180.01 2qt9 n PHE 357 N -5.00 0.00 -3.60 3.04 3.72 -1.26 -4.90 117.46 109.46 2qt9 n PHE 357 Ca -0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.30 2qt9 n PHE 357 Cb 0.20 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 2qt9 n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2qt9 s ARG 358 N -0.44 0.33 0.45 -1.08 1.70 -1.26 -4.99 118.95 113.66 2qt9 s ARG 358 Ca 0.00 -0.13 -0.24 0.00 -0.47 0.00 0.00 55.73 54.89 2qt9 s ARG 358 Cb 0.00 0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 34.44 2qt9 s ARG 358 CO 0.00 -0.14 1.28 -2.30 -1.08 0.00 0.00 175.30 173.05 2qt9 n PRO 359 N -0.13 1.86 -2.04 3.89 -0.02 -1.24 -4.24 135.00 133.09 2qt9 n PRO 359 Ca -0.00 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 2qt9 n PRO 359 Cb 0.59 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2qt9 n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qt9 s SER 360 N -0.62 5.67 0.41 2.55 1.04 -1.26 -4.99 113.70 116.50 2qt9 s SER 360 Ca 0.63 2.49 -0.22 0.00 0.48 0.00 0.00 55.95 59.33 2qt9 s SER 360 Cb -0.48 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 62.92 2qt9 s SER 360 CO 0.56 -1.27 0.96 -1.83 0.98 0.00 0.00 173.24 172.64 2qt9 s GLU 361 N -2.88 4.28 0.22 4.02 1.03 -1.26 -4.90 118.70 119.21 2qt9 s GLU 361 Ca 0.69 1.22 -0.13 0.00 0.03 0.00 0.00 54.97 56.78 2qt9 s GLU 361 Cb -0.33 -2.36 -0.08 0.00 -0.80 0.00 0.00 34.13 30.56 2qt9 s GLU 361 CO 0.39 0.01 0.60 -1.25 -1.33 0.00 0.00 175.26 173.68 2qt9 s PRO 362 N -2.85 3.95 -0.29 -4.83 0.04 -1.26 -4.57 135.00 125.20 2qt9 s PRO 362 Ca 0.59 0.49 0.02 0.00 0.04 0.00 0.00 61.00 62.15 2qt9 s PRO 362 Cb -0.13 -2.74 0.08 0.00 0.04 0.00 0.00 34.50 31.76 2qt9 s PRO 362 CO 0.17 0.35 -0.00 -1.01 0.04 0.00 0.00 177.00 176.56 2qt9 s HIS 363 N -1.69 3.02 0.18 0.56 3.76 -0.08 -4.93 115.29 116.12 2qt9 s HIS 363 Ca 0.45 -2.37 -0.27 0.00 -0.15 0.00 0.00 55.06 52.71 2qt9 s HIS 363 Cb -0.13 -2.21 -0.08 0.00 1.11 0.00 0.00 32.58 31.27 2qt9 s HIS 363 CO 0.20 -0.88 0.85 -0.06 -0.85 0.00 0.00 174.74 174.00 2qt9 s PHE 364 N 1.17 3.92 0.81 1.40 0.40 -1.26 -0.37 117.98 124.04 2qt9 s PHE 364 Ca 0.02 1.74 -0.11 0.00 -0.60 0.00 0.00 56.93 57.99 2qt9 s PHE 364 Cb -0.19 -2.88 0.08 0.00 0.51 0.00 0.00 43.02 40.54 2qt9 s PHE 364 CO -0.09 0.45 1.09 0.95 0.70 0.00 0.00 175.22 178.31 2qt9 s THR 365 N -0.96 3.15 0.20 0.64 -4.23 -0.25 -4.88 115.64 109.30 2qt9 s THR 365 Ca 0.39 0.37 -0.17 0.00 -1.18 0.00 0.00 61.69 61.10 2qt9 s THR 365 Cb -0.24 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 70.87 2qt9 s THR 365 CO 0.28 -0.49 1.61 0.25 -0.54 0.00 0.00 174.62 175.74 2qt9 h LEU 366 N -1.23 -0.80 0.00 4.79 5.85 -1.92 -0.21 115.31 121.79 2qt9 h LEU 366 Ca -0.46 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2qt9 h LEU 366 Cb 1.25 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2qt9 h LEU 366 CO 0.54 -0.25 0.00 -0.90 -0.34 0.00 0.00 178.44 177.49 2qt9 n ASP 367 N -5.43 0.00 -0.76 1.25 5.68 -1.26 -4.85 116.55 111.17 2qt9 n ASP 367 Ca 0.06 -0.49 -0.10 0.00 -0.50 0.00 0.00 54.79 53.75 2qt9 n ASP 367 Cb 0.34 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.27 2qt9 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qt9 n GLY 368 N -0.05 1.03 0.91 6.12 0.00 -0.09 -4.87 105.19 108.24 2qt9 n GLY 368 Ca 0.11 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2qt9 n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qt9 n ASN 369 N -0.73 2.83 -3.43 1.61 3.02 -1.26 -4.90 115.26 112.40 2qt9 n ASN 369 Ca -0.10 -1.94 -0.12 0.00 -0.03 0.00 0.00 54.58 52.39 2qt9 n ASN 369 Cb 0.49 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 2qt9 n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qt9 s SER 370 N -1.99 -0.57 0.21 6.41 1.04 -1.26 -1.82 113.70 115.72 2qt9 s SER 370 Ca 0.29 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.58 2qt9 s SER 370 Cb 0.20 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.93 2qt9 s SER 370 CO 0.30 -0.97 0.45 0.72 0.98 0.00 0.00 173.24 174.72 2qt9 s PHE 371 N -3.75 0.19 0.02 5.02 -0.12 -0.19 -1.09 117.98 118.06 2qt9 s PHE 371 Ca 0.01 -0.55 0.08 0.00 -0.05 0.00 0.00 56.93 56.42 2qt9 s PHE 371 Cb -0.01 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 2qt9 s PHE 371 CO -0.13 -0.90 -0.26 0.71 -0.05 0.00 0.00 175.22 174.59 2qt9 s TYR 372 N -3.95 2.26 0.02 3.49 1.51 0.50 -0.26 117.35 120.92 2qt9 s TYR 372 Ca 0.16 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2qt9 s TYR 372 Cb 0.00 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2qt9 s TYR 372 CO 0.03 0.05 -0.03 0.15 -1.11 0.00 0.00 175.55 174.64 2qt9 s LYS 373 N -0.95 0.28 -0.11 -0.62 1.02 -0.66 -0.90 119.74 117.79 2qt9 s LYS 373 Ca 0.11 -0.53 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 2qt9 s LYS 373 Cb -0.10 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 2qt9 s LYS 373 CO 0.01 -0.04 0.74 0.42 -0.92 0.00 0.00 175.35 175.55 2qt9 s ILE 374 N -1.26 4.99 0.00 2.17 1.01 -1.26 -0.27 121.20 126.58 2qt9 s ILE 374 Ca -0.14 1.48 -0.01 0.00 0.00 0.00 0.00 60.65 61.99 2qt9 s ILE 374 Cb -0.09 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2qt9 s ILE 374 CO -0.01 0.16 0.01 -0.63 0.00 0.00 0.00 174.94 174.47 2qt9 s ILE 375 N 1.37 0.04 0.13 2.92 1.01 0.57 -4.65 121.20 122.59 2qt9 s ILE 375 Ca 0.37 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 2qt9 s ILE 375 Cb -0.17 -0.13 -0.07 0.00 0.01 0.00 0.00 42.46 42.10 2qt9 s ILE 375 CO 0.16 -0.18 1.11 -0.94 0.00 0.00 0.00 174.94 175.08 2qt9 s SER 376 N -0.54 7.24 0.75 3.58 1.04 -1.26 -1.06 113.70 123.45 2qt9 s SER 376 Ca -0.06 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.39 2qt9 s SER 376 Cb -0.04 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2qt9 s SER 376 CO -0.00 -0.28 0.00 -0.46 0.98 0.00 0.00 173.24 173.48 2qt9 n ASN 377 N 2.92 -0.00 0.26 7.02 0.23 0.63 -4.84 115.26 121.47 2qt9 n ASN 377 Ca 0.04 -0.75 0.12 0.00 -0.53 0.00 0.00 54.58 53.47 2qt9 n ASN 377 Cb 0.47 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.85 2qt9 n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qt9 h GLU 378 N 0.00 0.00 -0.00 -3.83 5.08 -1.95 -1.95 114.58 111.92 2qt9 h GLU 378 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qt9 h GLU 378 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qt9 h GLU 378 CO 0.00 0.14 -0.21 0.39 -1.00 0.00 0.00 179.01 178.33 2qt9 n GLU 379 N -3.62 0.52 -0.35 2.33 1.02 -1.26 -4.94 120.64 114.35 2qt9 n GLU 379 Ca -0.02 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2qt9 n GLU 379 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2qt9 n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qt9 n GLY 380 N 1.36 0.82 3.67 0.62 0.00 -0.73 -4.76 105.19 106.15 2qt9 n GLY 380 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2qt9 n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qt9 s TYR 381 N -2.05 3.25 -0.19 1.61 1.51 -1.26 0.68 117.35 120.90 2qt9 s TYR 381 Ca 0.00 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 2qt9 s TYR 381 Cb 0.00 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 2qt9 s TYR 381 CO 0.00 0.30 1.17 1.03 -1.11 0.00 0.00 175.55 176.94 2qt9 s ARG 382 N -0.17 4.24 0.14 -0.62 0.52 -1.26 -0.27 118.95 121.54 2qt9 s ARG 382 Ca 0.07 1.53 0.01 0.00 -0.52 0.00 0.00 55.73 56.81 2qt9 s ARG 382 Cb -0.12 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 2qt9 s ARG 382 CO 0.01 -0.68 0.01 -1.01 0.02 0.00 0.00 175.30 173.66 2qt9 s HIS 383 N 3.37 1.01 0.02 -0.53 3.76 -0.22 -1.29 115.29 121.42 2qt9 s HIS 383 Ca 0.50 -1.08 -0.30 0.00 -0.15 0.00 0.00 55.06 54.03 2qt9 s HIS 383 Cb -0.19 -0.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 2qt9 s HIS 383 CO 0.11 -0.31 1.19 0.42 -0.85 0.00 0.00 174.74 175.30 2qt9 s ILE 384 N -3.80 4.14 -0.08 0.60 1.01 -1.26 -0.31 121.20 121.50 2qt9 s ILE 384 Ca 0.21 1.52 0.05 0.00 0.00 0.00 0.00 60.65 62.43 2qt9 s ILE 384 Cb 0.07 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 2qt9 s ILE 384 CO 0.01 0.08 -0.24 0.00 0.00 0.00 0.00 174.94 174.80 2qt9 s TYR 386 N 0.02 3.26 0.02 0.00 5.04 0.11 -1.65 117.35 124.15 2qt9 s TYR 386 Ca -0.09 0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.82 2qt9 s TYR 386 Cb -0.15 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.73 2qt9 s TYR 386 CO 0.05 -0.10 -0.07 -0.06 -1.34 0.00 0.00 175.55 174.03 2qt9 s PHE 387 N 1.59 2.86 -0.12 4.97 0.08 0.64 -0.80 117.98 127.21 2qt9 s PHE 387 Ca 0.09 -0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 2qt9 s PHE 387 Cb -0.15 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2qt9 s PHE 387 CO 0.09 0.37 0.23 -1.14 -0.10 0.00 0.00 175.22 174.67 2qt9 s GLN 388 N -1.51 3.84 0.58 0.44 2.00 -1.26 -1.03 119.66 122.73 2qt9 s GLN 388 Ca 0.18 0.02 0.28 0.00 -2.00 0.00 0.00 55.36 53.84 2qt9 s GLN 388 Cb -0.11 -3.28 1.66 0.00 0.80 0.00 0.00 33.01 32.08 2qt9 s GLN 388 CO 0.08 0.57 2.13 -0.84 -0.50 0.00 0.00 175.29 176.73 2qt9 h ILE 389 N 4.18 0.51 -0.29 -2.34 3.07 -1.71 -2.29 117.51 118.65 2qt9 h ILE 389 Ca -0.49 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 65.87 2qt9 h ILE 389 Cb 1.20 0.87 -0.03 0.00 -0.27 0.00 0.00 36.82 38.59 2qt9 h ILE 389 CO 0.65 0.00 -0.00 -0.90 -1.05 0.00 0.00 178.15 176.85 2qt9 n ASP 390 N -3.86 3.51 -4.08 2.16 5.75 -1.26 -4.26 116.55 114.52 2qt9 n ASP 390 Ca 0.01 -3.21 -0.26 0.00 -0.01 0.00 0.00 54.79 51.32 2qt9 n ASP 390 Cb 0.28 -0.57 -0.17 0.00 -1.03 0.00 0.00 41.12 39.64 2qt9 n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2qt9 s LYS 391 N -2.94 2.01 0.28 0.11 1.02 -0.86 -4.84 119.74 114.52 2qt9 s LYS 391 Ca 0.43 -0.54 0.14 0.00 0.02 0.00 0.00 55.97 56.01 2qt9 s LYS 391 Cb 0.36 -1.62 0.29 0.00 -0.52 0.00 0.00 37.83 36.33 2qt9 s LYS 391 CO 0.07 0.09 1.55 0.87 -0.92 0.00 0.00 175.35 177.01 2qt9 h LYS 392 N 6.81 0.00 -5.68 1.68 1.79 -1.88 -3.40 116.57 115.89 2qt9 h LYS 392 Ca -0.28 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.60 2qt9 h LYS 392 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.76 2qt9 h LYS 392 CO 0.47 0.59 0.05 -0.51 -1.08 0.00 0.00 179.45 178.97 2qt9 s ASP 393 N -6.60 6.69 0.49 0.86 1.01 -1.26 -4.96 116.67 112.90 2qt9 s ASP 393 Ca 0.01 0.83 0.05 0.00 0.71 0.00 0.00 52.55 54.15 2qt9 s ASP 393 Cb 0.10 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.73 2qt9 s ASP 393 CO 0.74 -0.20 0.68 0.00 0.21 0.00 0.00 175.17 176.61 2qt9 s THR 395 N -2.56 2.28 0.09 0.00 2.01 0.02 -4.88 115.64 112.60 2qt9 s THR 395 Ca 0.57 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 61.38 2qt9 s THR 395 Cb -0.10 -1.96 -0.07 0.00 0.01 0.00 0.00 72.50 70.38 2qt9 s THR 395 CO 0.36 0.53 1.30 -0.36 -0.69 0.00 0.00 174.62 175.76 2qt9 s PHE 396 N 1.17 3.33 -1.02 4.92 0.08 -1.26 0.08 117.98 125.28 2qt9 s PHE 396 Ca 0.02 1.11 0.15 0.00 0.12 0.00 0.00 56.93 58.33 2qt9 s PHE 396 Cb -0.14 -3.56 -0.10 0.00 -0.57 0.00 0.00 43.02 38.65 2qt9 s PHE 396 CO -0.08 -1.87 0.73 0.44 -0.10 0.00 0.00 175.22 174.33 2qt9 n ILE 397 N 3.94 0.00 -4.21 0.64 -5.35 -0.10 -4.93 119.36 109.36 2qt9 n ILE 397 Ca 0.10 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 2qt9 n ILE 397 Cb 0.44 1.08 -0.10 0.00 -1.74 0.00 0.00 39.64 39.32 2qt9 n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qt9 s THR 398 N -2.21 1.01 0.04 7.28 -4.23 -1.24 -4.97 115.64 111.31 2qt9 s THR 398 Ca 0.09 -1.91 -0.27 0.00 -1.18 0.00 0.00 61.69 58.41 2qt9 s THR 398 Cb 0.12 -1.67 0.09 0.00 1.34 0.00 0.00 72.50 72.38 2qt9 s THR 398 CO 0.53 -0.71 0.87 -1.59 -0.54 0.00 0.00 174.62 173.18 2qt9 s LYS 399 N -3.47 0.94 0.00 3.99 -2.85 -1.26 -4.59 119.74 112.50 2qt9 s LYS 399 Ca 0.12 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 2qt9 s LYS 399 Cb 0.01 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2qt9 s LYS 399 CO -0.01 -0.42 0.00 0.41 0.10 0.00 0.00 175.35 175.43 2qt9 n GLY 400 N -0.30 3.34 3.06 0.59 0.00 -1.26 -4.95 105.19 105.67 2qt9 n GLY 400 Ca -0.09 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2qt9 n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qt9 n THR 401 N -1.93 4.22 -3.75 2.61 -2.24 -1.26 -4.77 114.28 107.16 2qt9 n THR 401 Ca 0.00 -4.36 0.01 0.00 -2.27 0.00 0.00 64.05 57.43 2qt9 n THR 401 Cb 0.00 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 65.82 2qt9 n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2qt9 s TRP 402 N 1.16 -0.02 0.08 4.78 1.48 -1.26 -5.00 118.94 120.16 2qt9 s TRP 402 Ca 0.42 -0.13 0.04 0.00 -1.06 0.00 0.00 56.10 55.37 2qt9 s TRP 402 Cb 0.06 0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 32.91 2qt9 s TRP 402 CO -0.00 -0.38 -0.12 -1.21 -4.06 0.00 0.00 176.95 171.18 2qt9 s GLU 403 N -2.37 0.81 -0.01 3.25 2.02 -1.26 -4.52 118.70 116.63 2qt9 s GLU 403 Ca 0.19 -1.04 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 2qt9 s GLU 403 Cb 0.02 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 2qt9 s GLU 403 CO -0.02 0.13 0.88 0.08 0.02 0.00 0.00 175.26 176.35 2qt9 s VAL 404 N -1.82 4.88 -0.11 2.63 1.01 -0.41 -2.40 120.40 124.18 2qt9 s VAL 404 Ca 0.01 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 2qt9 s VAL 404 Cb -0.07 -4.23 -0.27 0.00 0.00 0.00 0.00 36.38 31.82 2qt9 s VAL 404 CO 0.01 0.21 0.47 0.40 0.00 0.00 0.00 175.10 176.19 2qt9 h ILE 405 N 4.68 0.85 -2.20 2.22 1.08 -0.83 -3.46 117.51 119.84 2qt9 h ILE 405 Ca -0.41 -2.37 0.08 0.00 -0.39 0.00 0.00 64.86 61.77 2qt9 h ILE 405 Cb 1.21 2.59 -0.17 0.00 -3.07 0.00 0.00 36.82 37.39 2qt9 h ILE 405 CO 0.75 0.76 0.46 -0.83 -0.69 0.00 0.00 178.15 178.60 2qt9 s GLY 406 N -5.21 -0.45 -0.22 5.37 0.00 -1.15 -4.99 107.32 100.67 2qt9 s GLY 406 Ca -0.21 1.17 -0.13 0.00 0.00 0.00 0.00 44.72 45.55 2qt9 s GLY 406 CO 0.76 0.48 0.26 -0.42 0.00 0.00 0.00 173.10 174.19 2qt9 s ILE 407 N -2.70 5.29 -0.20 0.90 1.01 -1.26 -1.25 121.20 123.00 2qt9 s ILE 407 Ca 0.02 0.42 0.17 0.00 0.00 0.00 0.00 60.65 61.27 2qt9 s ILE 407 Cb -0.01 -3.60 -0.25 0.00 0.01 0.00 0.00 42.46 38.62 2qt9 s ILE 407 CO -0.06 0.32 0.06 -0.62 0.00 0.00 0.00 174.94 174.63 2qt9 n GLU 408 N 4.27 0.71 -3.48 2.79 -0.58 0.92 -4.97 120.64 120.30 2qt9 n GLU 408 Ca -0.12 -0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.51 2qt9 n GLU 408 Cb 0.52 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 2qt9 n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qt9 s ALA 409 N -2.49 -1.75 -0.08 0.62 0.00 -1.12 -4.90 121.76 112.05 2qt9 s ALA 409 Ca -0.11 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 2qt9 s ALA 409 Cb 0.06 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.70 2qt9 s ALA 409 CO 0.82 -0.67 0.16 -1.17 0.00 0.00 0.00 175.76 174.90 2qt9 s LEU 410 N -2.38 0.11 0.51 0.00 2.96 -1.26 -1.14 118.68 117.49 2qt9 s LEU 410 Ca 0.02 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 2qt9 s LEU 410 Cb -0.01 0.33 -0.01 0.00 0.50 0.00 0.00 46.19 47.01 2qt9 s LEU 410 CO -0.08 -0.22 0.07 0.42 -1.32 0.00 0.00 176.35 175.21 2qt9 s THR 411 N 2.00 1.27 0.47 3.68 -4.23 0.32 -5.00 115.64 114.14 2qt9 s THR 411 Ca -0.00 -1.92 0.18 0.00 -1.18 0.00 0.00 61.69 58.77 2qt9 s THR 411 Cb -0.12 -2.19 0.23 0.00 1.34 0.00 0.00 72.50 71.77 2qt9 s THR 411 CO -0.06 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 176.84 2qt9 h SER 412 N 1.27 0.00 0.00 3.99 4.64 -2.01 -3.26 113.55 118.18 2qt9 h SER 412 Ca -0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 2qt9 h SER 412 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2qt9 h SER 412 CO 0.72 0.13 -1.75 0.47 -0.87 0.00 0.00 176.83 175.52 2qt9 n ASP 413 N -4.19 1.57 -4.01 4.97 8.00 -1.26 -4.91 116.55 116.73 2qt9 n ASP 413 Ca -0.02 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 2qt9 n ASP 413 Cb 0.21 1.47 -0.11 0.00 -0.02 0.00 0.00 41.12 42.66 2qt9 n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qt9 s TYR 414 N -2.86 0.40 -0.10 1.24 1.51 -1.23 -1.57 117.35 114.74 2qt9 s TYR 414 Ca -0.06 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 2qt9 s TYR 414 Cb 0.08 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.66 2qt9 s TYR 414 CO 0.61 -0.16 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.52 2qt9 s LEU 415 N -1.57 2.34 -0.13 -1.29 0.20 -0.99 -0.52 118.68 116.72 2qt9 s LEU 415 Ca -0.13 -0.45 -0.03 0.00 0.69 0.00 0.00 54.13 54.21 2qt9 s LEU 415 Cb -0.09 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.16 2qt9 s LEU 415 CO -0.01 0.19 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.89 2qt9 s TYR 416 N 0.19 3.03 0.11 5.38 1.51 -0.29 -1.11 117.35 126.17 2qt9 s TYR 416 Ca -0.12 -0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 55.69 2qt9 s TYR 416 Cb -0.16 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2qt9 s TYR 416 CO 0.06 0.08 0.15 1.52 -1.11 0.00 0.00 175.55 176.26 2qt9 s TYR 417 N 0.02 0.40 -0.09 2.71 -0.85 -0.37 -0.05 117.35 119.13 2qt9 s TYR 417 Ca 0.00 -0.83 -0.02 0.00 -0.52 0.00 0.00 57.07 55.71 2qt9 s TYR 417 Cb -0.13 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 41.99 2qt9 s TYR 417 CO 0.03 -0.56 -0.01 0.42 -1.52 0.00 0.00 175.55 173.91 2qt9 s ILE 418 N -3.93 4.19 0.24 -3.49 -1.09 -0.38 -0.03 121.20 116.71 2qt9 s ILE 418 Ca 0.12 -0.29 -0.10 0.00 -2.23 0.00 0.00 60.65 58.14 2qt9 s ILE 418 Cb 0.05 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2qt9 s ILE 418 CO -0.06 0.60 0.41 -0.94 -1.23 0.00 0.00 174.94 173.72 2qt9 s SER 419 N -0.78 -0.04 -0.39 3.58 1.04 -0.51 -0.08 113.70 116.52 2qt9 s SER 419 Ca 0.12 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.58 2qt9 s SER 419 Cb -0.11 0.55 0.54 0.00 0.10 0.00 0.00 66.02 67.10 2qt9 s SER 419 CO 0.02 -1.08 1.65 -0.46 0.98 0.00 0.00 173.24 174.35 2qt9 n ASN 420 N -0.37 3.75 -0.16 7.02 0.23 -1.01 -1.54 115.26 123.18 2qt9 n ASN 420 Ca -0.01 -3.74 -0.10 0.00 -0.53 0.00 0.00 54.58 50.21 2qt9 n ASN 420 Cb 0.63 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2qt9 n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qt9 h GLU 421 N 1.24 0.79 -6.11 -3.83 4.81 -1.86 -3.33 114.58 106.29 2qt9 h GLU 421 Ca 0.41 -0.22 -0.77 0.00 -0.13 0.00 0.00 59.36 58.65 2qt9 h GLU 421 Cb 1.90 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 31.22 2qt9 h GLU 421 CO 0.80 0.82 0.73 0.98 -0.73 0.00 0.00 179.01 181.60 2qt9 n TYR 422 N -4.42 1.80 -2.04 0.92 9.36 -1.26 -0.86 117.16 120.66 2qt9 n TYR 422 Ca 0.01 0.75 -0.10 0.00 3.32 0.00 0.00 57.90 61.88 2qt9 n TYR 422 Cb 0.27 -2.35 -0.02 0.00 -0.63 0.00 0.00 39.34 36.60 2qt9 n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2qt9 n LYS 423 N 4.36 -1.97 -2.91 2.98 5.02 -1.26 -1.91 118.16 122.47 2qt9 n LYS 423 Ca 0.26 0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 56.88 2qt9 n LYS 423 Cb 0.08 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 2qt9 n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qt9 n GLY 424 N -0.54 -0.50 3.35 0.72 0.00 -0.04 -4.93 105.19 103.25 2qt9 n GLY 424 Ca -0.11 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 2qt9 n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qt9 s MET 425 N -5.54 2.98 0.67 1.61 -1.94 -0.80 -4.93 119.30 111.35 2qt9 s MET 425 Ca 0.21 -1.50 0.44 0.00 -1.71 0.00 0.00 55.69 53.13 2qt9 s MET 425 Cb -0.11 -4.20 2.41 0.00 2.01 0.00 0.00 34.83 34.94 2qt9 s MET 425 CO 0.26 -1.15 2.36 -1.00 -0.01 0.00 0.00 175.02 175.48 2qt9 h PRO 426 N 8.81 0.00 -0.49 2.03 0.13 -1.89 -0.94 132.00 139.65 2qt9 h PRO 426 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qt9 h PRO 426 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qt9 h PRO 426 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2qt9 n GLY 427 N -1.09 1.34 3.78 1.56 0.00 -1.26 -4.89 105.19 104.62 2qt9 n GLY 427 Ca -0.03 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 2qt9 n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qt9 s GLY 428 N -1.04 1.69 -0.07 -0.02 0.00 -0.36 -2.30 107.32 105.23 2qt9 s GLY 428 Ca 0.34 -1.63 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 2qt9 s GLY 428 CO 0.23 -1.61 0.15 0.50 0.00 0.00 0.00 173.10 172.37 2qt9 s ARG 429 N -3.85 0.06 0.08 2.90 1.81 -0.02 -4.21 118.95 115.72 2qt9 s ARG 429 Ca 0.36 0.44 0.02 0.00 -1.72 0.00 0.00 55.73 54.83 2qt9 s ARG 429 Cb -0.06 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.18 2qt9 s ARG 429 CO 0.24 -0.23 -0.07 -0.80 -0.68 0.00 0.00 175.30 173.76 2qt9 s ASN 430 N 1.64 1.04 -0.06 0.23 0.01 -0.59 -0.27 114.94 116.93 2qt9 s ASN 430 Ca -0.04 -0.85 -0.21 0.00 -0.71 0.00 0.00 52.86 51.05 2qt9 s ASN 430 Cb -0.12 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.57 2qt9 s ASN 430 CO -0.06 -0.38 0.59 -0.22 -1.51 0.00 0.00 177.10 175.52 2qt9 s LEU 431 N -2.54 4.34 0.18 0.60 2.96 -1.26 -1.42 118.68 121.54 2qt9 s LEU 431 Ca 0.04 1.05 0.07 0.00 -0.22 0.00 0.00 54.13 55.07 2qt9 s LEU 431 Cb 0.00 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2qt9 s LEU 431 CO -0.03 -0.00 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.55 2qt9 s TYR 432 N 0.41 1.58 -0.07 5.38 1.51 0.96 -0.53 117.35 126.59 2qt9 s TYR 432 Ca 0.31 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2qt9 s TYR 432 Cb -0.17 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2qt9 s TYR 432 CO 0.15 0.27 -0.10 0.21 -1.11 0.00 0.00 175.55 174.98 2qt9 s LYS 433 N -3.54 1.46 -0.09 -0.62 2.20 -0.09 -1.24 119.74 117.83 2qt9 s LYS 433 Ca 0.19 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 2qt9 s LYS 433 Cb -0.01 -1.29 -0.00 0.00 -1.51 0.00 0.00 37.83 35.02 2qt9 s LYS 433 CO 0.05 -0.04 -0.23 -1.50 -0.36 0.00 0.00 175.35 173.27 2qt9 s ILE 434 N 0.87 2.00 -0.14 5.43 2.07 -0.26 -0.87 121.20 130.30 2qt9 s ILE 434 Ca -0.11 -0.99 -0.29 0.00 -1.41 0.00 0.00 60.65 57.85 2qt9 s ILE 434 Cb -0.15 -1.73 -0.03 0.00 0.13 0.00 0.00 42.46 40.69 2qt9 s ILE 434 CO 0.01 0.55 1.41 -1.58 -1.91 0.00 0.00 174.94 173.42 2qt9 s GLN 435 N 0.30 4.16 0.43 3.50 0.74 -0.42 -2.34 119.66 126.04 2qt9 s GLN 435 Ca -0.17 1.80 0.15 0.00 0.05 0.00 0.00 55.36 57.18 2qt9 s GLN 435 Cb -0.17 -3.86 0.95 0.00 1.10 0.00 0.00 33.01 31.03 2qt9 s GLN 435 CO 0.08 -0.82 1.95 -0.07 -0.55 0.00 0.00 175.29 175.88 2qt9 h LEU 436 N 10.10 0.00 -0.45 3.68 3.38 -1.64 -2.31 115.31 128.07 2qt9 h LEU 436 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qt9 h LEU 436 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2qt9 h LEU 436 CO 0.97 0.23 -0.06 -1.54 0.09 0.00 0.00 178.44 178.13 2qt9 n SER 437 N -4.22 0.76 -3.15 -0.43 3.41 -1.26 -4.57 113.62 104.15 2qt9 n SER 437 Ca -0.02 -1.01 0.02 0.00 -0.26 0.00 0.00 58.87 57.60 2qt9 n SER 437 Cb 0.29 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 2qt9 n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qt9 s ASP 438 N -2.21 -1.40 0.41 4.04 -1.08 -0.88 -5.03 116.67 110.52 2qt9 s ASP 438 Ca 0.36 -0.55 0.26 0.00 -0.52 0.00 0.00 52.55 52.10 2qt9 s ASP 438 Cb 0.21 1.80 1.42 0.00 -1.46 0.00 0.00 42.92 44.89 2qt9 s ASP 438 CO 0.41 -0.17 1.79 1.88 0.52 0.00 0.00 175.17 179.60 2qt9 h TYR 439 N 6.98 0.00 0.00 -5.34 0.05 -1.78 0.08 116.97 116.96 2qt9 h TYR 439 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2qt9 h TYR 439 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2qt9 h TYR 439 CO 0.13 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.49 2qt9 n THR 440 N -2.44 0.07 -3.31 -2.88 -2.24 -1.26 -4.43 114.28 97.79 2qt9 n THR 440 Ca -0.02 0.02 -0.46 0.00 -2.27 0.00 0.00 64.05 61.32 2qt9 n THR 440 Cb 0.08 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 2qt9 n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qt9 s LYS 441 N -2.71 3.29 -0.16 -0.78 -0.14 0.01 -5.01 119.74 114.25 2qt9 s LYS 441 Ca 0.23 -2.06 0.01 0.00 -1.36 0.00 0.00 55.97 52.79 2qt9 s LYS 441 Cb 0.19 -4.37 0.02 0.00 -1.68 0.00 0.00 37.83 31.99 2qt9 s LYS 441 CO 0.46 -1.32 -0.18 0.08 -0.76 0.00 0.00 175.35 173.63 2qt9 s VAL 442 N 0.94 1.87 -0.11 3.17 1.01 -1.26 -1.30 120.40 124.72 2qt9 s VAL 442 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2qt9 s VAL 442 Cb -0.20 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2qt9 s VAL 442 CO -0.03 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 174.58 2qt9 s THR 443 N 1.27 3.24 -0.23 3.92 2.01 -0.05 -4.96 115.64 120.85 2qt9 s THR 443 Ca 0.03 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2qt9 s THR 443 Cb -0.13 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 2qt9 s THR 443 CO -0.10 0.54 0.64 0.00 -0.69 0.00 0.00 174.62 175.01 2qt9 h LEU 445 N 8.69 0.00 0.00 0.00 3.38 -1.16 -3.40 115.31 122.81 2qt9 h LEU 445 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2qt9 h LEU 445 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2qt9 h LEU 445 CO 0.78 0.31 -1.17 -1.54 0.09 0.00 0.00 178.44 176.91 2qt9 n SER 446 N -2.97 4.21 -0.31 -0.43 3.41 -1.22 -4.79 113.62 111.52 2qt9 n SER 446 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.54 2qt9 n SER 446 Cb 0.68 1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 65.68 2qt9 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qt9 n GLU 448 N -5.42 1.92 0.05 0.00 4.71 -1.26 -4.03 120.64 116.61 2qt9 n GLU 448 Ca 0.06 -1.38 -0.11 0.00 -0.01 0.00 0.00 57.16 55.71 2qt9 n GLU 448 Cb 0.36 -1.42 -0.05 0.00 -1.01 0.00 0.00 31.44 29.31 2qt9 n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2qt9 h LEU 449 N 2.78 -0.23 -5.05 -4.62 3.38 -1.75 -3.38 115.31 106.43 2qt9 h LEU 449 Ca 0.00 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2qt9 h LEU 449 Cb 0.61 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.30 2qt9 h LEU 449 CO 0.00 -0.12 -0.51 -3.20 0.09 0.00 0.00 178.44 174.70 2qt9 n ASN 450 N -5.20 -3.17 -0.01 -0.43 2.85 -1.26 -5.04 115.26 102.99 2qt9 n ASN 450 Ca -0.06 -3.02 0.23 0.00 -0.11 0.00 0.00 54.58 51.62 2qt9 n ASN 450 Cb 0.13 1.68 0.72 0.00 1.24 0.00 0.00 39.78 43.56 2qt9 n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qt9 h PRO 451 N 4.71 0.00 0.17 1.20 0.13 -1.75 0.56 132.00 137.01 2qt9 h PRO 451 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2qt9 h PRO 451 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qt9 h PRO 451 CO 0.12 0.00 -1.71 0.93 -0.23 0.00 0.00 178.00 177.11 2qt9 h GLU 452 N 0.00 0.35 0.06 0.86 5.08 -1.96 -3.38 114.58 115.59 2qt9 h GLU 452 Ca 0.28 -0.60 -0.29 0.00 -1.00 0.00 0.00 59.36 57.75 2qt9 h GLU 452 Cb 1.28 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 2qt9 h GLU 452 CO -0.00 1.25 -1.54 -0.09 -1.00 0.00 0.00 179.01 177.63 2qt9 h ARG 453 N 0.10 0.12 -4.76 2.33 2.43 -1.81 -3.41 114.38 109.37 2qt9 h ARG 453 Ca -0.32 -0.20 -0.65 0.00 -0.81 0.00 0.00 59.98 58.00 2qt9 h ARG 453 Cb 2.08 0.07 -0.37 0.00 -0.42 0.00 0.00 29.97 31.34 2qt9 h ARG 453 CO 0.17 0.88 -0.81 0.00 -1.51 0.00 0.00 179.97 178.70 2qt9 n GLN 455 N 4.57 -0.23 -3.72 0.00 6.02 0.17 -4.30 117.38 119.89 2qt9 n GLN 455 Ca -0.15 -0.24 -0.29 0.00 -0.01 0.00 0.00 57.00 56.31 2qt9 n GLN 455 Cb 0.45 -0.68 -0.16 0.00 1.02 0.00 0.00 30.24 30.87 2qt9 n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qt9 s TYR 456 N -0.03 1.20 0.10 1.08 6.14 -1.03 -0.84 117.35 123.97 2qt9 s TYR 456 Ca 0.00 -1.17 0.09 0.00 0.64 0.00 0.00 57.07 56.63 2qt9 s TYR 456 Cb 0.00 -1.25 -0.04 0.00 0.42 0.00 0.00 41.96 41.09 2qt9 s TYR 456 CO 0.00 -0.73 -0.18 0.71 0.64 0.00 0.00 175.55 175.99 2qt9 s TYR 457 N 1.80 2.54 0.12 4.97 2.02 0.63 -0.80 117.35 128.62 2qt9 s TYR 457 Ca 0.03 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.51 2qt9 s TYR 457 Cb -0.17 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 2qt9 s TYR 457 CO -0.17 0.36 -0.10 -1.54 -1.57 0.00 0.00 175.55 172.53 2qt9 s SER 458 N -2.01 1.59 0.09 2.29 1.04 -0.58 -4.59 113.70 111.53 2qt9 s SER 458 Ca 0.17 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.71 2qt9 s SER 458 Cb -0.11 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2qt9 s SER 458 CO 0.09 -0.30 -0.06 0.54 0.98 0.00 0.00 173.24 174.49 2qt9 s VAL 459 N -2.88 0.60 -0.22 5.02 0.11 -1.26 -0.73 120.40 121.05 2qt9 s VAL 459 Ca 0.11 -1.89 -0.04 0.00 -2.93 0.00 0.00 61.98 57.23 2qt9 s VAL 459 Cb -0.00 -1.62 0.09 0.00 -1.53 0.00 0.00 36.38 33.31 2qt9 s VAL 459 CO -0.00 -0.88 0.16 -0.55 -3.33 0.00 0.00 175.10 170.50 2qt9 s SER 460 N -2.98 2.18 0.39 3.54 0.15 -0.68 -4.98 113.70 111.31 2qt9 s SER 460 Ca 0.10 -0.63 -0.13 0.00 0.70 0.00 0.00 55.95 56.00 2qt9 s SER 460 Cb 0.05 0.03 -0.08 0.00 -1.71 0.00 0.00 66.02 64.32 2qt9 s SER 460 CO -0.06 -0.36 0.79 -0.36 1.20 0.00 0.00 173.24 174.45 2qt9 s PHE 461 N 2.22 3.43 1.00 3.44 0.40 -1.26 -1.00 117.98 126.21 2qt9 s PHE 461 Ca 0.06 1.17 -0.15 0.00 -0.60 0.00 0.00 56.93 57.41 2qt9 s PHE 461 Cb -0.16 -2.53 0.19 0.00 0.51 0.00 0.00 43.02 41.04 2qt9 s PHE 461 CO -0.18 -0.07 1.19 -1.54 0.70 0.00 0.00 175.22 175.32 2qt9 s SER 462 N -2.82 2.77 0.31 1.36 1.04 0.00 -4.84 113.70 111.52 2qt9 s SER 462 Ca 0.53 0.65 0.05 0.00 0.48 0.00 0.00 55.95 57.67 2qt9 s SER 462 Cb -0.10 -0.97 0.84 0.00 0.10 0.00 0.00 66.02 65.88 2qt9 s SER 462 CO 0.26 -2.98 1.62 0.11 0.98 0.00 0.00 173.24 173.23 2qt9 h LYS 463 N -1.80 0.13 -0.22 4.02 1.79 -1.72 0.36 116.57 119.13 2qt9 h LYS 463 Ca -0.47 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 57.91 2qt9 h LYS 463 Cb 1.29 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.87 2qt9 h LYS 463 CO 0.48 0.08 -0.12 0.39 -1.08 0.00 0.00 179.45 179.20 2qt9 n GLU 464 N -5.29 1.96 -2.22 3.15 -0.58 -1.26 -4.95 120.64 111.45 2qt9 n GLU 464 Ca 0.25 -3.03 -0.20 0.00 -0.42 0.00 0.00 57.16 53.76 2qt9 n GLU 464 Cb 0.81 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.92 2qt9 n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qt9 n ALA 465 N -1.03 -0.53 0.15 0.62 0.00 0.12 -4.89 120.51 114.95 2qt9 n ALA 465 Ca 0.25 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2qt9 n ALA 465 Cb 0.88 -2.09 0.21 0.00 0.00 0.00 0.00 19.45 18.46 2qt9 n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qt9 h LYS 466 N 0.00 0.00 -4.35 0.00 3.64 -1.79 -3.42 116.57 110.65 2qt9 h LYS 466 Ca -0.46 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.76 2qt9 h LYS 466 Cb 1.34 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 2qt9 h LYS 466 CO 0.57 0.56 -0.69 0.71 -2.27 0.00 0.00 179.45 178.32 2qt9 s TYR 467 N -3.65 0.61 -0.06 1.91 2.02 -1.26 -0.93 117.35 116.00 2qt9 s TYR 467 Ca -0.01 -0.98 -0.07 0.00 -0.37 0.00 0.00 57.07 55.64 2qt9 s TYR 467 Cb 0.12 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.28 2qt9 s TYR 467 CO 0.75 -0.30 0.18 1.52 -1.57 0.00 0.00 175.55 176.13 2qt9 s TYR 468 N -3.64 -0.16 -0.20 2.71 1.13 -0.29 -0.82 117.35 116.08 2qt9 s TYR 468 Ca 0.07 0.39 -0.11 0.00 -1.41 0.00 0.00 57.07 56.00 2qt9 s TYR 468 Cb 0.06 0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.92 2qt9 s TYR 468 CO -0.08 -0.13 0.19 -1.14 -2.51 0.00 0.00 175.55 171.88 2qt9 s GLN 469 N -0.15 4.18 -0.13 -3.49 0.74 -0.17 -0.19 119.66 120.45 2qt9 s GLN 469 Ca -0.02 -0.14 -0.08 0.00 0.05 0.00 0.00 55.36 55.17 2qt9 s GLN 469 Cb -0.02 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 2qt9 s GLN 469 CO 0.01 0.21 0.16 -0.51 -0.55 0.00 0.00 175.29 174.60 2qt9 s LEU 470 N 0.60 4.37 -0.31 3.68 1.43 0.70 -1.69 118.68 127.46 2qt9 s LEU 470 Ca 0.10 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2qt9 s LEU 470 Cb -0.12 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.08 2qt9 s LEU 470 CO 0.01 0.37 0.00 -0.13 0.23 0.00 0.00 176.35 176.83 2qt9 s ARG 471 N -0.81 1.67 -0.17 1.70 0.52 0.10 -1.76 118.95 120.19 2qt9 s ARG 471 Ca 0.14 -1.65 -0.20 0.00 -0.52 0.00 0.00 55.73 53.51 2qt9 s ARG 471 Cb -0.12 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 2qt9 s ARG 471 CO 0.04 -0.82 0.57 0.00 0.02 0.00 0.00 175.30 175.11 2qt9 n SER 473 N 4.57 2.11 0.00 0.00 3.41 0.02 -1.67 113.62 122.06 2qt9 n SER 473 Ca -0.04 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 2qt9 n SER 473 Cb 0.50 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qt9 n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt9 n GLY 474 N 0.17 0.39 0.11 5.00 0.00 -1.26 -0.84 105.19 108.76 2qt9 n GLY 474 Ca 0.05 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 45.07 2qt9 n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qt9 n PRO 475 N -0.72 0.19 -0.26 1.61 -0.04 -0.55 0.45 135.00 135.67 2qt9 n PRO 475 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2qt9 n PRO 475 Cb 0.00 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 2qt9 n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qt9 n GLY 476 N 0.29 0.14 3.77 0.55 0.00 -0.02 -4.50 105.19 105.41 2qt9 n GLY 476 Ca 0.03 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 2qt9 n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt9 s LEU 477 N 0.00 4.09 0.28 0.99 1.43 -1.26 -4.57 118.68 119.64 2qt9 s LEU 477 Ca 0.00 2.52 -0.29 0.00 -1.03 0.00 0.00 54.13 55.33 2qt9 s LEU 477 Cb 0.00 -4.08 -0.13 0.00 0.03 0.00 0.00 46.19 42.00 2qt9 s LEU 477 CO 0.00 -0.96 1.24 -2.65 0.23 0.00 0.00 176.35 174.20 2qt9 n PRO 478 N -0.25 1.79 -4.16 1.29 -0.02 -1.26 -4.75 135.00 127.63 2qt9 n PRO 478 Ca 0.06 0.63 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 2qt9 n PRO 478 Cb 0.46 -2.17 -0.17 0.00 -0.02 0.00 0.00 33.50 31.60 2qt9 n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qt9 s LEU 479 N -0.11 1.28 -0.16 2.45 2.96 -0.67 -4.22 118.68 120.21 2qt9 s LEU 479 Ca 0.62 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2qt9 s LEU 479 Cb -0.66 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 2qt9 s LEU 479 CO 0.57 -0.06 -0.12 -0.31 -1.32 0.00 0.00 176.35 175.11 2qt9 s TYR 480 N 1.07 2.84 0.12 5.38 1.51 0.68 -1.14 117.35 127.81 2qt9 s TYR 480 Ca -0.08 -0.90 0.05 0.00 -1.01 0.00 0.00 57.07 55.13 2qt9 s TYR 480 Cb -0.14 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2qt9 s TYR 480 CO -0.01 -0.41 -0.12 0.95 -1.11 0.00 0.00 175.55 174.86 2qt9 s THR 481 N 0.82 1.20 -0.03 -0.71 -4.23 -0.72 0.54 115.64 112.51 2qt9 s THR 481 Ca -0.04 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2qt9 s THR 481 Cb -0.15 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2qt9 s THR 481 CO 0.00 -0.54 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.18 2qt9 s LEU 482 N -2.64 2.71 0.08 4.79 2.96 -0.61 -0.21 118.68 125.76 2qt9 s LEU 482 Ca 0.10 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2qt9 s LEU 482 Cb -0.03 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2qt9 s LEU 482 CO 0.02 0.32 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.29 2qt9 s HIS 483 N -0.78 0.87 -0.22 5.38 3.76 0.73 -0.01 115.29 125.02 2qt9 s HIS 483 Ca 0.12 -0.67 -0.12 0.00 -0.15 0.00 0.00 55.06 54.25 2qt9 s HIS 483 Cb -0.11 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 33.04 2qt9 s HIS 483 CO 0.02 -0.07 0.21 0.45 -0.85 0.00 0.00 174.74 174.49 2qt9 s SER 484 N -2.26 6.22 0.33 1.40 0.15 -0.57 -1.14 113.70 117.83 2qt9 s SER 484 Ca 0.01 0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.08 2qt9 s SER 484 Cb -0.03 -2.13 0.43 0.00 -1.71 0.00 0.00 66.02 62.57 2qt9 s SER 484 CO -0.01 0.07 1.61 0.28 1.20 0.00 0.00 173.24 176.39 2qt9 h SER 485 N 7.23 0.00 -0.12 5.45 0.02 -1.29 0.21 113.55 125.05 2qt9 h SER 485 Ca -0.39 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 2qt9 h SER 485 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2qt9 h SER 485 CO 0.70 0.45 -0.00 1.62 -1.14 0.00 0.00 176.83 178.46 2qt9 h VAL 486 N 0.00 1.14 0.00 2.27 3.04 -1.90 -3.26 116.25 117.54 2qt9 h VAL 486 Ca -0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2qt9 h VAL 486 Cb 1.11 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2qt9 h VAL 486 CO 0.06 0.19 0.00 -0.46 -1.01 0.00 0.00 177.57 176.34 2qt9 n ASN 487 N -4.35 0.61 -2.82 3.17 2.04 -1.23 -5.01 115.26 107.66 2qt9 n ASN 487 Ca 0.00 -1.24 -0.17 0.00 -0.44 0.00 0.00 54.58 52.73 2qt9 n ASN 487 Cb 0.20 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.44 2qt9 n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2qt9 n ASP 488 N -0.12 -4.06 -4.87 0.53 10.43 0.72 -4.94 116.55 114.25 2qt9 n ASP 488 Ca 0.00 -0.06 -0.35 0.00 2.57 0.00 0.00 54.79 56.95 2qt9 n ASP 488 Cb 0.32 -3.40 -0.06 0.00 1.84 0.00 0.00 41.12 39.83 2qt9 n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2qt9 s LYS 489 N -5.44 3.72 0.08 -1.24 -0.14 -1.15 -4.86 119.74 110.71 2qt9 s LYS 489 Ca 0.17 0.13 -0.31 0.00 -1.36 0.00 0.00 55.97 54.60 2qt9 s LYS 489 Cb -0.09 -3.08 -0.07 0.00 -1.68 0.00 0.00 37.83 32.92 2qt9 s LYS 489 CO 0.21 0.63 1.31 0.20 -0.76 0.00 0.00 175.35 176.93 2qt9 s GLY 490 N -1.57 2.15 -0.12 -3.33 0.00 -1.26 -1.51 107.32 101.68 2qt9 s GLY 490 Ca 0.28 0.97 -0.10 0.00 0.00 0.00 0.00 44.72 45.88 2qt9 s GLY 490 CO 0.16 2.23 0.40 1.41 0.00 0.00 0.00 173.10 177.29 2qt9 h LEU 491 N 6.96 0.39 0.00 0.66 3.38 -0.78 -3.48 115.31 122.44 2qt9 h LEU 491 Ca -0.41 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.66 2qt9 h LEU 491 Cb 1.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2qt9 h LEU 491 CO 0.85 1.79 0.00 -2.11 0.09 0.00 0.00 178.44 179.06 2qt9 n ARG 492 N -3.64 0.00 -2.96 1.13 1.85 -1.20 -5.02 116.66 106.82 2qt9 n ARG 492 Ca -0.31 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.14 2qt9 n ARG 492 Cb 1.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.36 2qt9 n ARG 492 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qt9 s VAL 493 N -2.00 4.80 -0.20 8.89 1.01 -1.26 -1.57 120.40 130.07 2qt9 s VAL 493 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 61.98 63.65 2qt9 s VAL 493 Cb 0.00 -4.13 -0.21 0.00 0.00 0.00 0.00 36.38 32.04 2qt9 s VAL 493 CO 0.00 0.32 0.03 0.18 0.00 0.00 0.00 175.10 175.63 2qt9 n LEU 494 N 3.10 2.43 -3.65 3.92 4.77 0.19 -4.94 117.00 122.83 2qt9 n LEU 494 Ca -0.01 0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2qt9 n LEU 494 Cb 0.50 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2qt9 n LEU 494 CO 0.48 0.84 0.26 -0.70 -1.33 0.00 0.00 177.39 176.93 2qt9 s GLU 495 N -2.53 0.59 0.00 3.23 2.56 -0.97 -4.98 118.70 116.60 2qt9 s GLU 495 Ca -0.27 1.29 0.04 0.00 0.00 0.00 0.00 54.97 56.04 2qt9 s GLU 495 Cb 0.08 0.49 0.04 0.00 2.00 0.00 0.00 34.13 36.74 2qt9 s GLU 495 CO 0.69 -0.18 0.68 -0.40 -0.56 0.00 0.00 175.26 175.49 2qt9 n ASP 496 N 4.93 1.46 -2.96 -1.70 5.68 -1.26 -0.23 116.55 122.47 2qt9 n ASP 496 Ca -0.16 -1.26 -0.22 0.00 -0.50 0.00 0.00 54.79 52.66 2qt9 n ASP 496 Cb 0.53 -0.01 0.03 0.00 -1.14 0.00 0.00 41.12 40.53 2qt9 n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qt9 n ASN 497 N 0.22 -5.88 -0.31 -1.12 3.02 -1.26 -4.82 115.26 105.12 2qt9 n ASN 497 Ca 0.03 -0.25 -0.05 0.00 -0.03 0.00 0.00 54.58 54.28 2qt9 n ASN 497 Cb 0.13 -4.77 0.08 0.00 -0.61 0.00 0.00 39.78 34.60 2qt9 n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qt9 h SER 498 N -1.16 1.11 0.07 6.41 4.64 -1.94 -1.20 113.55 121.47 2qt9 h SER 498 Ca -0.52 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 60.69 2qt9 h SER 498 Cb 1.36 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 2qt9 h SER 498 CO 0.57 0.93 -0.20 0.00 -0.87 0.00 0.00 176.83 177.25 2qt9 h ALA 499 N 1.22 -0.31 -0.89 5.18 0.00 -1.99 -0.77 119.26 121.71 2qt9 h ALA 499 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2qt9 h ALA 499 Cb 0.11 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2qt9 h ALA 499 CO -0.04 -0.72 0.50 1.25 0.00 0.00 0.00 179.25 180.24 2qt9 h LEU 500 N -0.36 1.10 -1.25 0.00 5.85 -1.81 -2.19 115.31 116.65 2qt9 h LEU 500 Ca 0.04 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2qt9 h LEU 500 Cb 0.41 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2qt9 h LEU 500 CO -0.14 0.87 0.51 -0.78 -0.34 0.00 0.00 178.44 178.56 2qt9 h ASP 501 N 1.24 0.87 0.23 1.25 3.58 -0.59 -0.18 116.42 122.81 2qt9 h ASP 501 Ca 0.31 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2qt9 h ASP 501 Cb 0.01 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.85 2qt9 h ASP 501 CO -0.05 0.62 -0.11 0.50 -2.88 0.00 0.00 179.24 177.32 2qt9 h LYS 502 N 1.02 -0.30 -0.28 0.28 3.11 -0.55 -2.79 116.57 117.07 2qt9 h LYS 502 Ca 0.29 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.19 2qt9 h LYS 502 Cb -0.09 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.17 2qt9 h LYS 502 CO -0.07 -0.12 0.02 0.52 -2.81 0.00 0.00 179.45 176.99 2qt9 h MET 503 N -0.41 0.11 0.00 1.90 2.86 -0.98 -2.23 114.93 116.18 2qt9 h MET 503 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qt9 h MET 503 Cb 0.31 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2qt9 h MET 503 CO 0.05 0.07 0.00 1.28 1.06 0.00 0.00 176.91 179.37 2qt9 n LEU 504 N -5.13 0.60 0.21 1.22 4.77 -0.13 -1.95 117.00 116.58 2qt9 n LEU 504 Ca -0.01 0.73 0.07 0.00 -0.03 0.00 0.00 56.01 56.77 2qt9 n LEU 504 Cb 0.14 -0.74 0.48 0.00 -2.33 0.00 0.00 43.42 40.96 2qt9 n LEU 504 CO 0.25 -0.82 0.81 1.56 -1.33 0.00 0.00 177.39 177.86 2qt9 h GLN 505 N 0.00 0.00 -0.66 3.23 1.08 -1.12 -2.31 115.11 115.34 2qt9 h GLN 505 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qt9 h GLN 505 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2qt9 h GLN 505 CO 0.00 0.27 0.00 0.09 -0.95 0.00 0.00 178.83 178.24 2qt9 n ASN 506 N -3.87 3.56 -4.11 1.46 3.02 -0.82 -4.87 115.26 109.63 2qt9 n ASN 506 Ca -0.02 -2.42 -0.24 0.00 -0.03 0.00 0.00 54.58 51.88 2qt9 n ASN 506 Cb 0.36 -0.53 -0.16 0.00 -0.61 0.00 0.00 39.78 38.84 2qt9 n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qt9 s VAL 507 N -1.90 1.23 -1.22 2.41 1.01 -0.87 -3.75 120.40 117.31 2qt9 s VAL 507 Ca 0.33 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 2qt9 s VAL 507 Cb 0.23 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2qt9 s VAL 507 CO 0.13 0.35 1.91 0.00 0.00 0.00 0.00 175.10 177.50 2qt9 n GLN 508 N 2.96 2.43 -2.40 2.72 6.02 0.09 -4.95 117.38 124.26 2qt9 n GLN 508 Ca -0.16 -2.72 -0.36 0.00 -0.01 0.00 0.00 57.00 53.75 2qt9 n GLN 508 Cb 0.54 -3.44 -0.02 0.00 1.02 0.00 0.00 30.24 28.33 2qt9 n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2qt9 s MET 509 N 4.80 3.77 0.79 -1.09 -1.94 -1.26 -4.42 119.30 119.94 2qt9 s MET 509 Ca 0.57 1.56 -0.12 0.00 -1.71 0.00 0.00 55.69 56.00 2qt9 s MET 509 Cb 0.06 -2.26 0.07 0.00 2.01 0.00 0.00 34.83 34.71 2qt9 s MET 509 CO 0.07 -0.49 1.14 -1.25 -0.01 0.00 0.00 175.02 174.48 2qt9 s PRO 510 N -2.93 2.13 0.33 2.03 0.04 -1.26 -4.39 135.00 130.95 2qt9 s PRO 510 Ca 0.65 0.31 0.08 0.00 0.04 0.00 0.00 61.00 62.09 2qt9 s PRO 510 Cb -0.23 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2qt9 s PRO 510 CO 0.27 -1.52 0.11 -1.54 0.04 0.00 0.00 177.00 174.37 2qt9 s SER 511 N -4.34 4.61 -0.08 6.66 1.04 -0.27 -4.92 113.70 116.39 2qt9 s SER 511 Ca 0.61 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2qt9 s SER 511 Cb -0.12 -0.72 0.01 0.00 0.10 0.00 0.00 66.02 65.29 2qt9 s SER 511 CO 0.51 -0.26 -0.17 -0.75 0.98 0.00 0.00 173.24 173.55 2qt9 s LYS 512 N -3.81 2.18 -0.08 4.02 2.20 -1.26 0.21 119.74 123.19 2qt9 s LYS 512 Ca 0.37 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.41 2qt9 s LYS 512 Cb -0.02 -1.72 -0.02 0.00 -1.51 0.00 0.00 37.83 34.55 2qt9 s LYS 512 CO 0.22 0.09 -0.13 0.21 -0.36 0.00 0.00 175.35 175.38 2qt9 s LYS 513 N 0.52 2.89 -0.12 4.03 2.20 0.15 -4.95 119.74 124.47 2qt9 s LYS 513 Ca -0.16 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 2qt9 s LYS 513 Cb -0.16 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.67 2qt9 s LYS 513 CO 0.06 0.46 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.20 2qt9 s LEU 514 N -0.29 1.59 0.00 5.43 2.96 -1.26 -0.42 118.68 126.69 2qt9 s LEU 514 Ca 0.02 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2qt9 s LEU 514 Cb -0.13 -1.03 0.02 0.00 0.50 0.00 0.00 46.19 45.55 2qt9 s LEU 514 CO 0.03 -0.03 0.30 -0.67 -1.32 0.00 0.00 176.35 174.66 2qt9 n ASP 515 N 4.47 -0.84 -4.20 3.68 4.64 -0.58 -5.01 116.55 118.71 2qt9 n ASP 515 Ca -0.17 -1.57 -0.12 0.00 -1.38 0.00 0.00 54.79 51.54 2qt9 n ASP 515 Cb 0.51 1.40 -0.10 0.00 -1.04 0.00 0.00 41.12 41.89 2qt9 n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2qt9 s PHE 516 N -6.28 1.04 0.07 -0.67 -0.71 -1.26 -0.31 117.98 109.86 2qt9 s PHE 516 Ca 0.06 -1.14 0.06 0.00 -1.04 0.00 0.00 56.93 54.87 2qt9 s PHE 516 Cb -0.02 -0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 41.17 2qt9 s PHE 516 CO 0.04 -0.37 -0.15 0.96 -1.34 0.00 0.00 175.22 174.35 2qt9 s ILE 517 N -3.86 1.21 -0.23 -4.49 -4.36 -0.23 -4.95 121.20 104.30 2qt9 s ILE 517 Ca 0.25 -1.31 -0.11 0.00 -0.26 0.00 0.00 60.65 59.22 2qt9 s ILE 517 Cb 0.07 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 2qt9 s ILE 517 CO 0.03 -0.17 0.17 -0.63 0.24 0.00 0.00 174.94 174.58 2qt9 s ILE 518 N -1.20 5.36 -0.05 8.37 1.01 -1.26 -0.92 121.20 132.51 2qt9 s ILE 518 Ca -0.00 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2qt9 s ILE 518 Cb -0.10 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2qt9 s ILE 518 CO 0.02 0.36 -0.10 -0.76 0.00 0.00 0.00 174.94 174.47 2qt9 s LEU 519 N 0.94 1.63 -1.61 2.97 1.43 0.32 -4.79 118.68 119.58 2qt9 s LEU 519 Ca 0.08 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 2qt9 s LEU 519 Cb -0.13 -0.66 0.12 0.00 0.03 0.00 0.00 46.19 45.54 2qt9 s LEU 519 CO 0.03 0.03 0.86 0.59 0.23 0.00 0.00 176.35 178.10 2qt9 n ASN 520 N 3.66 -3.81 -0.56 2.29 4.13 -1.26 -0.46 115.26 119.25 2qt9 n ASN 520 Ca -0.22 -0.90 -0.07 0.00 1.68 0.00 0.00 54.58 55.06 2qt9 n ASN 520 Cb 0.52 -3.30 -0.03 0.00 -1.54 0.00 0.00 39.78 35.43 2qt9 n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qt9 n GLU 521 N -4.52 -1.33 -4.88 3.52 1.02 -1.26 -4.98 120.64 108.21 2qt9 n GLU 521 Ca 0.04 0.69 -0.25 0.00 -0.02 0.00 0.00 57.16 57.62 2qt9 n GLU 521 Cb 0.52 -4.85 -0.15 0.00 -0.02 0.00 0.00 31.44 26.94 2qt9 n GLU 521 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2qt9 s THR 522 N -1.86 1.43 0.05 2.62 -1.32 0.40 -5.11 115.64 111.84 2qt9 s THR 522 Ca 0.00 -0.77 -0.18 0.00 -1.21 0.00 0.00 61.69 59.52 2qt9 s THR 522 Cb 0.00 -1.19 -0.06 0.00 -1.51 0.00 0.00 72.50 69.73 2qt9 s THR 522 CO 0.00 0.41 0.53 -1.59 -2.21 0.00 0.00 174.62 171.75 2qt9 s LYS 523 N -0.40 4.14 -0.09 7.08 -2.85 -1.26 -0.52 119.74 125.84 2qt9 s LYS 523 Ca 0.06 0.65 0.03 0.00 -1.00 0.00 0.00 55.97 55.71 2qt9 s LYS 523 Cb -0.07 -3.24 0.01 0.00 -2.06 0.00 0.00 37.83 32.46 2qt9 s LYS 523 CO -0.01 0.63 -0.18 -0.06 0.10 0.00 0.00 175.35 175.84 2qt9 s PHE 524 N -1.02 1.99 0.44 1.78 0.40 -0.10 -4.96 117.98 116.52 2qt9 s PHE 524 Ca 0.28 -0.81 -0.13 0.00 -0.60 0.00 0.00 56.93 55.67 2qt9 s PHE 524 Cb -0.19 -1.39 -0.07 0.00 0.51 0.00 0.00 43.02 41.88 2qt9 s PHE 524 CO 0.17 -0.37 0.85 -1.58 0.70 0.00 0.00 175.22 175.00 2qt9 s TRP 525 N 0.58 3.45 0.15 0.36 0.52 -1.26 -1.06 118.94 121.68 2qt9 s TRP 525 Ca -0.15 1.23 -0.15 0.00 0.02 0.00 0.00 56.10 57.04 2qt9 s TRP 525 Cb -0.17 -2.59 0.02 0.00 -1.15 0.00 0.00 33.47 29.59 2qt9 s TRP 525 CO 0.05 -0.19 0.41 1.52 0.02 0.00 0.00 176.95 178.75 2qt9 s TYR 526 N -2.44 -0.08 0.09 -1.98 -0.85 0.57 -1.52 117.35 111.14 2qt9 s TYR 526 Ca 0.54 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.86 2qt9 s TYR 526 Cb -0.10 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 2qt9 s TYR 526 CO 0.30 -0.75 -0.08 1.14 -1.52 0.00 0.00 175.55 174.64 2qt9 s GLN 527 N -3.85 0.79 -0.02 -3.49 -2.07 -0.64 -1.52 119.66 108.86 2qt9 s GLN 527 Ca 0.07 -1.19 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 2qt9 s GLN 527 Cb 0.01 -0.33 0.02 0.00 -1.09 0.00 0.00 33.01 31.63 2qt9 s GLN 527 CO -0.08 0.02 -0.00 -1.64 -1.32 0.00 0.00 175.29 172.27 2qt9 s MET 528 N -3.14 0.23 -0.38 9.60 -1.94 0.44 -1.92 119.30 122.19 2qt9 s MET 528 Ca 0.06 0.03 -0.17 0.00 -1.71 0.00 0.00 55.69 53.91 2qt9 s MET 528 Cb 0.00 -0.36 0.00 0.00 2.01 0.00 0.00 34.83 36.49 2qt9 s MET 528 CO -0.02 -0.08 0.44 0.42 -0.01 0.00 0.00 175.02 175.77 2qt9 s ILE 529 N 0.67 5.09 -0.13 2.53 -1.09 0.72 -0.68 121.20 128.30 2qt9 s ILE 529 Ca -0.06 -0.05 -0.06 0.00 -2.23 0.00 0.00 60.65 58.25 2qt9 s ILE 529 Cb -0.09 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2qt9 s ILE 529 CO -0.01 -0.27 0.10 -0.76 -1.23 0.00 0.00 174.94 172.76 2qt9 s LEU 530 N 2.18 4.11 0.83 2.97 1.43 0.13 -1.87 118.68 128.46 2qt9 s LEU 530 Ca 0.14 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2qt9 s LEU 530 Cb -0.16 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.14 2qt9 s LEU 530 CO 0.13 0.35 1.08 -2.65 0.23 0.00 0.00 176.35 175.49 2qt9 n PRO 531 N 2.37 0.08 -1.36 1.29 -0.02 -1.26 -1.11 135.00 134.99 2qt9 n PRO 531 Ca -0.19 0.10 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 2qt9 n PRO 531 Cb 0.54 -2.34 0.08 0.00 -0.02 0.00 0.00 33.50 31.77 2qt9 n PRO 531 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qt9 n PRO 532 N -3.06 0.51 -4.06 0.52 -0.02 -1.26 -2.40 135.00 125.22 2qt9 n PRO 532 Ca 0.13 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2qt9 n PRO 532 Cb 0.51 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2qt9 n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2qt9 n HIS 533 N -2.45 -1.99 -1.66 6.00 8.25 -1.26 -4.82 115.22 117.28 2qt9 n HIS 533 Ca 0.13 0.85 -0.46 0.00 -0.26 0.00 0.00 57.72 57.97 2qt9 n HIS 533 Cb 0.49 -3.48 -0.04 0.00 1.12 0.00 0.00 29.99 28.08 2qt9 n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qt9 n PHE 534 N -4.52 2.15 -4.03 4.41 7.35 -1.01 -4.97 117.46 116.84 2qt9 n PHE 534 Ca 0.03 0.35 -0.31 0.00 -0.76 0.00 0.00 57.45 56.76 2qt9 n PHE 534 Cb 0.52 -2.50 -0.15 0.00 0.35 0.00 0.00 39.48 37.70 2qt9 n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2qt9 s ASP 535 N 0.72 3.88 0.00 -2.13 3.68 -1.26 -5.00 116.67 116.57 2qt9 s ASP 535 Ca 0.77 -1.13 0.12 0.00 2.13 0.00 0.00 52.55 54.45 2qt9 s ASP 535 Cb -0.71 -1.38 0.67 0.00 -1.45 0.00 0.00 42.92 40.06 2qt9 s ASP 535 CO 0.41 -0.17 1.25 2.29 0.13 0.00 0.00 175.17 179.09 2qt9 n LYS 536 N 4.57 0.26 0.00 4.34 2.85 -1.26 -1.54 118.16 127.39 2qt9 n LYS 536 Ca -0.15 0.10 0.13 0.00 -1.05 0.00 0.00 58.31 57.35 2qt9 n LYS 536 Cb 0.45 -1.50 0.39 0.00 -0.65 0.00 0.00 35.03 33.72 2qt9 n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2qt9 n SER 537 N -1.17 1.58 -4.88 -5.58 3.41 -1.26 -4.39 113.62 101.33 2qt9 n SER 537 Ca 0.07 -1.38 -0.21 0.00 -0.26 0.00 0.00 58.87 57.09 2qt9 n SER 537 Cb 0.07 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2qt9 n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qt9 s LYS 538 N -2.18 2.87 -0.36 4.33 1.02 -0.59 -5.04 119.74 119.79 2qt9 s LYS 538 Ca 0.31 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.06 2qt9 s LYS 538 Cb 0.20 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.99 2qt9 s LYS 538 CO 0.40 0.16 0.16 0.15 -0.92 0.00 0.00 175.35 175.30 2qt9 s LYS 539 N -4.00 2.59 0.08 1.68 -0.14 -1.26 -4.14 119.74 114.56 2qt9 s LYS 539 Ca 0.40 -1.28 -0.01 0.00 -1.36 0.00 0.00 55.97 53.72 2qt9 s LYS 539 Cb -0.07 -3.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.47 2qt9 s LYS 539 CO 0.27 -0.76 0.25 0.71 -0.76 0.00 0.00 175.35 175.06 2qt9 s TYR 540 N 1.40 3.51 0.57 3.18 2.02 0.43 -4.46 117.35 124.00 2qt9 s TYR 540 Ca 0.00 0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.82 2qt9 s TYR 540 Cb -0.21 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2qt9 s TYR 540 CO 0.02 0.55 1.07 -1.25 -1.57 0.00 0.00 175.55 174.38 2qt9 s PRO 541 N -2.61 3.37 -0.05 -1.71 0.04 -1.26 -0.77 135.00 132.00 2qt9 s PRO 541 Ca 0.36 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2qt9 s PRO 541 Cb -0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2qt9 s PRO 541 CO 0.27 -0.79 -0.16 -1.17 0.04 0.00 0.00 177.00 175.19 2qt9 s LEU 542 N -4.17 1.86 -0.24 -3.56 0.20 -0.29 -1.93 118.68 110.55 2qt9 s LEU 542 Ca 0.67 -0.36 -0.04 0.00 0.69 0.00 0.00 54.13 55.09 2qt9 s LEU 542 Cb -0.18 -0.97 0.00 0.00 -0.43 0.00 0.00 46.19 44.61 2qt9 s LEU 542 CO 0.31 0.12 -0.03 -0.22 -0.29 0.00 0.00 176.35 176.25 2qt9 s LEU 543 N 0.24 3.11 -0.42 -0.68 2.96 0.27 -0.40 118.68 123.76 2qt9 s LEU 543 Ca -0.08 -0.54 -0.23 0.00 -0.22 0.00 0.00 54.13 53.06 2qt9 s LEU 543 Cb -0.13 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.83 2qt9 s LEU 543 CO 0.03 -0.07 0.79 -0.22 -1.32 0.00 0.00 176.35 175.56 2qt9 s LEU 544 N 1.45 4.20 -0.42 -0.68 2.96 -0.06 -0.81 118.68 125.32 2qt9 s LEU 544 Ca 0.04 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 2qt9 s LEU 544 Cb -0.15 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.57 2qt9 s LEU 544 CO -0.03 -0.84 0.67 -0.62 -1.32 0.00 0.00 176.35 174.21 2qt9 s ASP 545 N 2.02 6.37 0.13 3.68 -1.08 0.21 -1.01 116.67 127.00 2qt9 s ASP 545 Ca 0.30 -0.14 0.09 0.00 -0.52 0.00 0.00 52.55 52.29 2qt9 s ASP 545 Cb -0.12 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2qt9 s ASP 545 CO 0.20 -0.76 -0.22 0.54 0.52 0.00 0.00 175.17 175.46 2qt9 s VAL 546 N 2.89 1.95 0.00 1.11 0.11 0.10 -4.29 120.40 122.27 2qt9 s VAL 546 Ca 0.25 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 2qt9 s VAL 546 Cb -0.14 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 2qt9 s VAL 546 CO 0.19 -0.07 0.00 0.00 -3.33 0.00 0.00 175.10 171.89 2qt9 n TYR 547 N 0.81 0.00 -1.67 1.54 4.19 -1.26 -4.13 117.16 116.64 2qt9 n TYR 547 Ca -0.17 0.00 -0.20 0.00 3.31 0.00 0.00 57.90 60.84 2qt9 n TYR 547 Cb 0.54 0.29 -0.08 0.00 0.49 0.00 0.00 39.34 40.58 2qt9 n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2qt9 n ALA 548 N -2.46 -0.34 -1.42 2.98 0.00 -1.26 -3.39 120.51 114.62 2qt9 n ALA 548 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 2qt9 n ALA 548 Cb 0.00 -2.02 0.17 0.00 0.00 0.00 0.00 19.45 17.60 2qt9 n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qt9 s GLY 549 N -2.71 1.60 0.19 0.00 0.00 -1.26 -4.85 107.32 100.28 2qt9 s GLY 549 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 44.72 43.75 2qt9 s GLY 549 CO 0.00 0.01 1.74 2.56 0.00 0.00 0.00 173.10 177.41 2qt9 s PRO 550 N -5.31 4.13 -1.44 2.90 0.04 -1.26 -1.53 135.00 132.54 2qt9 s PRO 550 Ca 0.67 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.30 2qt9 s PRO 550 Cb -0.13 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2qt9 s PRO 550 CO 0.55 -0.77 0.00 0.00 0.04 0.00 0.00 177.00 176.82 2qt9 s SER 552 N -2.72 5.25 -0.22 0.00 1.04 -0.58 -3.82 113.70 112.65 2qt9 s SER 552 Ca 0.00 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.43 2qt9 s SER 552 Cb 0.00 -1.77 0.12 0.00 0.10 0.00 0.00 66.02 64.47 2qt9 s SER 552 CO 0.00 -1.45 0.34 -1.58 0.98 0.00 0.00 173.24 171.53 2qt9 s GLN 553 N -5.39 0.30 0.00 4.02 0.74 -1.26 -0.01 119.66 118.05 2qt9 s GLN 553 Ca 0.59 0.52 0.08 0.00 0.05 0.00 0.00 55.36 56.60 2qt9 s GLN 553 Cb -0.11 -0.53 0.11 0.00 1.10 0.00 0.00 33.01 33.57 2qt9 s GLN 553 CO 0.51 -0.58 0.87 1.63 -0.55 0.00 0.00 175.29 177.16 2qt9 n LYS 554 N 5.36 0.87 -4.03 1.67 4.76 -1.26 -4.86 118.16 120.66 2qt9 n LYS 554 Ca -0.05 -1.22 -0.32 0.00 -2.87 0.00 0.00 58.31 53.85 2qt9 n LYS 554 Cb 0.50 -1.16 -0.15 0.00 -1.84 0.00 0.00 35.03 32.38 2qt9 n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qt9 s ALA 555 N -0.75 2.75 0.30 7.82 0.00 -1.26 -4.75 121.76 125.86 2qt9 s ALA 555 Ca 0.11 -2.14 -0.01 0.00 0.00 0.00 0.00 51.96 49.92 2qt9 s ALA 555 Cb 0.07 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2qt9 s ALA 555 CO 0.10 -1.45 0.41 -0.40 0.00 0.00 0.00 175.76 174.42 2qt9 n ASP 556 N 4.36 -1.13 -1.47 0.00 5.68 -1.26 -4.40 116.55 118.33 2qt9 n ASP 556 Ca -0.05 -2.61 0.09 0.00 -0.50 0.00 0.00 54.79 51.71 2qt9 n ASP 556 Cb 0.42 2.12 0.33 0.00 -1.14 0.00 0.00 41.12 42.85 2qt9 n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qt9 n THR 557 N -0.49 1.60 -2.55 2.12 -2.24 -0.97 -4.97 114.28 106.79 2qt9 n THR 557 Ca 0.01 -1.06 -0.40 0.00 -2.27 0.00 0.00 64.05 60.33 2qt9 n THR 557 Cb 0.50 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 2qt9 n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qt9 s VAL 558 N -1.75 3.64 -0.21 2.28 1.01 -1.26 -1.49 120.40 122.62 2qt9 s VAL 558 Ca 0.47 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.86 2qt9 s VAL 558 Cb 0.30 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2qt9 s VAL 558 CO 0.24 0.37 0.71 0.12 0.00 0.00 0.00 175.10 176.53 2qt9 s PHE 559 N -1.20 3.35 0.03 5.22 5.36 -0.02 -4.90 117.98 125.82 2qt9 s PHE 559 Ca 0.44 1.00 0.05 0.00 -0.96 0.00 0.00 56.93 57.47 2qt9 s PHE 559 Cb -0.30 -2.90 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 2qt9 s PHE 559 CO 0.38 -0.27 -0.16 1.03 -1.46 0.00 0.00 175.22 174.74 2qt9 s ARG 560 N 2.29 1.12 -0.37 10.12 0.52 -1.26 -4.92 118.95 126.44 2qt9 s ARG 560 Ca 0.31 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2qt9 s ARG 560 Cb -0.16 -1.14 0.09 0.00 0.52 0.00 0.00 34.95 34.26 2qt9 s ARG 560 CO 0.10 0.29 0.14 -0.51 0.02 0.00 0.00 175.30 175.34 2qt9 s LEU 561 N -0.97 4.87 0.00 2.53 1.43 -1.26 -4.88 118.68 120.41 2qt9 s LEU 561 Ca 0.04 -1.86 0.00 0.00 -1.03 0.00 0.00 54.13 51.28 2qt9 s LEU 561 Cb -0.08 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2qt9 s LEU 561 CO 0.01 -0.46 0.00 -0.46 0.23 0.00 0.00 176.35 175.67 2qt9 n ASN 562 N 4.56 0.00 -0.33 2.29 0.23 -1.26 -5.00 115.26 115.75 2qt9 n ASN 562 Ca -0.04 -0.27 -0.03 0.00 -0.53 0.00 0.00 54.58 53.71 2qt9 n ASN 562 Cb 0.42 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.21 2qt9 n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qt9 h TRP 563 N 0.27 1.12 -0.33 -2.53 7.01 -1.97 -1.61 115.95 117.91 2qt9 h TRP 563 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2qt9 h TRP 563 Cb 0.00 -0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 26.67 2qt9 h TRP 563 CO 0.00 0.70 0.17 0.00 -2.79 0.00 0.00 178.44 176.51 2qt9 h ALA 564 N 1.33 1.68 -0.39 2.65 0.00 -1.98 -0.60 119.26 121.95 2qt9 h ALA 564 Ca 0.33 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2qt9 h ALA 564 Cb -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2qt9 h ALA 564 CO -0.07 0.27 0.22 1.15 0.00 0.00 0.00 179.25 180.81 2qt9 h THR 565 N 0.45 1.02 -0.22 0.00 2.02 -1.63 0.99 112.91 115.55 2qt9 h THR 565 Ca 0.12 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2qt9 h THR 565 Cb 0.04 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2qt9 h THR 565 CO -0.02 0.08 0.00 0.22 0.37 0.00 0.00 175.52 176.17 2qt9 h TYR 566 N 0.44 0.42 -0.82 3.16 3.20 -1.32 0.62 116.97 122.66 2qt9 h TYR 566 Ca 0.16 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.02 2qt9 h TYR 566 Cb 0.02 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 2qt9 h TYR 566 CO -0.08 0.56 0.50 -0.07 -1.64 0.00 0.00 178.16 177.43 2qt9 h LEU 567 N 0.15 0.77 -0.01 2.82 3.38 -0.70 0.22 115.31 121.94 2qt9 h LEU 567 Ca 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2qt9 h LEU 567 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qt9 h LEU 567 CO 0.01 0.49 -0.10 0.00 0.09 0.00 0.00 178.44 178.94 2qt9 h ALA 568 N 1.40 0.02 0.04 1.53 0.00 -0.75 -0.96 119.26 120.53 2qt9 h ALA 568 Ca 0.36 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qt9 h ALA 568 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qt9 h ALA 568 CO -0.18 -0.05 -0.02 1.03 0.00 0.00 0.00 179.25 180.04 2qt9 h SER 569 N -0.62 -0.04 0.14 0.00 0.87 -0.65 -2.76 113.55 110.49 2qt9 h SER 569 Ca -0.01 -0.32 -0.36 0.00 -1.23 0.00 0.00 61.79 59.87 2qt9 h SER 569 Cb 0.83 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2qt9 h SER 569 CO 0.02 0.30 -1.99 0.41 -0.53 0.00 0.00 176.83 175.04 2qt9 n THR 570 N -4.95 1.78 1.15 2.23 -1.04 0.75 -4.44 114.28 109.76 2qt9 n THR 570 Ca -0.08 -0.66 0.12 0.00 -2.04 0.00 0.00 64.05 61.39 2qt9 n THR 570 Cb 0.19 -1.71 0.21 0.00 -1.82 0.00 0.00 70.33 67.20 2qt9 n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qt9 n GLU 571 N -3.47 1.41 -3.61 -2.82 -0.58 -0.98 -4.96 120.64 105.63 2qt9 n GLU 571 Ca -0.31 -1.04 -0.25 0.00 -0.42 0.00 0.00 57.16 55.13 2qt9 n GLU 571 Cb 1.05 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 30.50 2qt9 n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qt9 n ASN 572 N 0.12 -5.91 -4.71 1.62 5.03 -0.80 -4.95 115.26 105.65 2qt9 n ASN 572 Ca 0.13 -0.57 -0.35 0.00 0.87 0.00 0.00 54.58 54.66 2qt9 n ASN 572 Cb 0.44 -4.68 -0.09 0.00 -1.02 0.00 0.00 39.78 34.44 2qt9 n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qt9 s ILE 573 N -3.29 4.86 -0.21 2.41 1.01 -0.43 -4.45 121.20 121.11 2qt9 s ILE 573 Ca 0.57 -0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.94 2qt9 s ILE 573 Cb -0.26 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 2qt9 s ILE 573 CO 0.71 0.54 0.90 -0.63 0.00 0.00 0.00 174.94 176.45 2qt9 s ILE 574 N -0.31 4.80 -0.30 2.92 1.01 -0.82 -3.39 121.20 125.11 2qt9 s ILE 574 Ca 0.09 1.74 -0.08 0.00 0.00 0.00 0.00 60.65 62.40 2qt9 s ILE 574 Cb -0.12 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2qt9 s ILE 574 CO 0.02 -0.07 0.10 -0.69 0.00 0.00 0.00 174.94 174.30 2qt9 s VAL 575 N 2.70 4.14 0.21 2.92 1.01 -0.78 -0.56 120.40 130.03 2qt9 s VAL 575 Ca 0.39 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.84 2qt9 s VAL 575 Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2qt9 s VAL 575 CO 0.09 0.07 -0.10 0.00 0.00 0.00 0.00 175.10 175.16 2qt9 s ALA 576 N 1.53 2.93 -0.00 5.51 0.00 0.01 -0.20 121.76 131.53 2qt9 s ALA 576 Ca 0.03 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 2qt9 s ALA 576 Cb -0.17 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 2qt9 s ALA 576 CO 0.03 0.40 0.04 -1.12 0.00 0.00 0.00 175.76 175.11 2qt9 s SER 577 N -3.08 0.05 -0.01 0.00 0.01 -0.81 0.63 113.70 110.49 2qt9 s SER 577 Ca 0.26 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.43 2qt9 s SER 577 Cb -0.08 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2qt9 s SER 577 CO 0.16 -0.17 -0.12 0.12 0.41 0.00 0.00 173.24 173.64 2qt9 s PHE 578 N -0.68 1.06 -0.55 2.43 5.36 -1.26 -1.61 117.98 122.72 2qt9 s PHE 578 Ca -0.08 -0.20 -0.06 0.00 -0.96 0.00 0.00 56.93 55.64 2qt9 s PHE 578 Cb -0.05 -0.68 0.14 0.00 -0.34 0.00 0.00 43.02 42.09 2qt9 s PHE 578 CO -0.00 -0.02 0.39 -0.51 -1.46 0.00 0.00 175.22 173.62 2qt9 s ASP 579 N -0.25 5.51 0.00 6.13 1.01 -0.58 -4.81 116.67 123.68 2qt9 s ASP 579 Ca 0.04 -2.40 0.00 0.00 0.71 0.00 0.00 52.55 50.90 2qt9 s ASP 579 Cb -0.05 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2qt9 s ASP 579 CO -0.00 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 175.47 2qt9 n GLY 580 N 4.17 1.73 3.74 0.21 0.00 -1.26 -4.04 105.19 109.73 2qt9 n GLY 580 Ca 0.02 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2qt9 n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt9 n ARG 581 N 0.00 2.46 0.00 1.61 1.74 -1.26 -1.54 116.66 119.67 2qt9 n ARG 581 Ca 0.00 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 2qt9 n ARG 581 Cb 0.00 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 2qt9 n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qt9 n GLY 582 N 0.58 3.43 3.73 -0.13 0.00 0.30 -4.08 105.19 109.01 2qt9 n GLY 582 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2qt9 n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qt9 s SER 583 N -0.79 3.80 0.57 1.61 1.04 -0.59 -0.21 113.70 119.13 2qt9 s SER 583 Ca 0.00 1.67 0.08 0.00 0.48 0.00 0.00 55.95 58.18 2qt9 s SER 583 Cb 0.00 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 63.85 2qt9 s SER 583 CO 0.00 -2.46 0.65 -0.83 0.98 0.00 0.00 173.24 171.58 2qt9 s GLY 584 N -3.34 1.98 -1.23 7.32 0.00 0.98 -3.47 107.32 109.56 2qt9 s GLY 584 Ca 0.63 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2qt9 s GLY 584 CO 0.57 -1.80 0.00 -1.72 0.00 0.00 0.00 173.10 170.15 2qt9 n TYR 585 N -2.08 0.00 -1.20 1.90 4.01 -1.26 -4.82 117.16 113.70 2qt9 n TYR 585 Ca 0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.86 2qt9 n TYR 585 Cb 0.63 -2.39 0.05 0.00 -0.31 0.00 0.00 39.34 37.32 2qt9 n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qt9 n GLN 586 N -1.96 0.92 0.00 -0.72 6.02 -1.26 -4.46 117.38 115.91 2qt9 n GLN 586 Ca -0.12 -1.53 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 2qt9 n GLN 586 Cb 0.47 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.81 2qt9 n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qt9 n GLY 587 N -0.57 2.29 0.20 1.08 0.00 -1.26 -4.68 105.19 102.25 2qt9 n GLY 587 Ca 0.05 -1.90 0.03 0.00 0.00 0.00 0.00 46.02 44.20 2qt9 n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qt9 h ASP 588 N 0.00 0.00 -0.53 1.61 3.32 -0.05 -2.03 116.42 118.74 2qt9 h ASP 588 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2qt9 h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2qt9 h ASP 588 CO 0.00 0.32 0.13 0.50 -1.72 0.00 0.00 179.24 178.46 2qt9 h LYS 589 N 0.00 0.26 0.02 3.56 1.63 -1.87 0.24 116.57 120.42 2qt9 h LYS 589 Ca -0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2qt9 h LYS 589 Cb 0.57 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2qt9 h LYS 589 CO 0.04 0.17 -0.18 0.82 -3.45 0.00 0.00 179.45 176.85 2qt9 h ILE 590 N 0.27 1.72 -0.59 2.00 2.04 -1.80 -3.28 117.51 117.86 2qt9 h ILE 590 Ca 0.27 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 2qt9 h ILE 590 Cb 0.35 3.32 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 2qt9 h ILE 590 CO -0.33 0.61 0.35 -0.03 0.00 0.00 0.00 178.15 178.75 2qt9 h MET 591 N -0.90 0.81 -0.06 2.37 4.05 -1.21 0.95 114.93 120.94 2qt9 h MET 591 Ca -0.04 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2qt9 h MET 591 Cb 1.11 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2qt9 h MET 591 CO 0.01 0.60 0.00 0.72 0.23 0.00 0.00 176.91 178.47 2qt9 n HIS 592 N -4.61 0.07 0.27 1.39 8.25 0.82 -4.03 115.22 117.39 2qt9 n HIS 592 Ca 0.04 -0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2qt9 n HIS 592 Cb 0.07 0.00 0.76 0.00 1.12 0.00 0.00 29.99 31.94 2qt9 n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qt9 h ALA 593 N 3.62 1.62 -0.67 -1.41 0.00 -1.52 -1.51 119.26 119.39 2qt9 h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qt9 h ALA 593 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qt9 h ALA 593 CO 0.00 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.75 2qt9 n ILE 594 N -4.04 1.78 -1.64 0.00 -5.35 -1.26 -4.91 119.36 103.95 2qt9 n ILE 594 Ca -0.03 -1.18 -0.47 0.00 -0.27 0.00 0.00 62.75 60.80 2qt9 n ILE 594 Cb 0.13 0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.15 2qt9 n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qt9 n ASN 595 N 1.20 2.44 0.00 7.28 4.05 -0.57 -0.58 115.26 129.08 2qt9 n ASN 595 Ca 0.26 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.41 2qt9 n ASN 595 Cb 0.88 -1.35 0.00 0.00 1.23 0.00 0.00 39.78 40.54 2qt9 n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qt9 n ARG 596 N 2.50 -1.66 -2.60 1.20 1.74 0.31 -4.78 116.66 113.36 2qt9 n ARG 596 Ca 0.15 0.36 -0.13 0.00 -0.77 0.00 0.00 57.85 57.46 2qt9 n ARG 596 Cb 0.27 -4.54 0.02 0.00 -1.02 0.00 0.00 32.46 27.20 2qt9 n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qt9 n ARG 597 N 0.45 1.92 -2.00 5.56 3.00 0.26 -4.90 116.66 120.95 2qt9 n ARG 597 Ca 0.00 -3.65 -0.37 0.00 -0.01 0.00 0.00 57.85 53.83 2qt9 n ARG 597 Cb 0.36 -1.60 0.03 0.00 0.00 0.00 0.00 32.46 31.25 2qt9 n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qt9 s LEU 598 N -3.34 3.74 0.00 0.55 1.43 -1.21 -2.94 118.68 116.91 2qt9 s LEU 598 Ca 0.34 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2qt9 s LEU 598 Cb 0.42 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 42.15 2qt9 s LEU 598 CO -0.03 -1.51 0.00 0.61 0.23 0.00 0.00 176.35 175.65 2qt9 n GLY 599 N 0.55 0.56 0.00 -3.19 0.00 -1.26 -4.85 105.19 97.00 2qt9 n GLY 599 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2qt9 n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qt9 n THR 600 N -2.79 0.00 -0.24 2.61 -2.24 -1.15 -4.77 114.28 105.69 2qt9 n THR 600 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2qt9 n THR 600 Cb 0.00 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.54 2qt9 n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2qt9 h PHE 601 N 0.00 0.89 0.00 4.78 0.04 -1.92 -0.31 116.94 120.42 2qt9 h PHE 601 Ca 0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 2qt9 h PHE 601 Cb 0.00 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 2qt9 h PHE 601 CO 0.00 0.45 -0.27 1.05 -0.60 0.00 0.00 178.31 178.94 2qt9 h GLU 602 N 0.86 0.00 0.00 1.51 9.09 -1.90 0.08 114.58 124.22 2qt9 h GLU 602 Ca 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.77 2qt9 h GLU 602 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2qt9 h GLU 602 CO -0.13 0.27 -0.00 0.28 0.05 0.00 0.00 179.01 179.47 2qt9 h VAL 603 N 0.00 1.71 -0.87 -1.06 2.07 -1.45 -3.24 116.25 113.41 2qt9 h VAL 603 Ca -0.00 -2.08 0.01 0.00 0.82 0.00 0.00 66.70 65.44 2qt9 h VAL 603 Cb 0.63 3.12 -0.04 0.00 -1.52 0.00 0.00 31.29 33.48 2qt9 h VAL 603 CO 0.03 0.54 0.57 -0.33 0.02 0.00 0.00 177.57 178.40 2qt9 h GLU 604 N -0.89 1.15 0.00 1.57 5.08 -0.94 -2.44 114.58 118.11 2qt9 h GLU 604 Ca -0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2qt9 h GLU 604 Cb 0.89 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2qt9 h GLU 604 CO 0.00 0.77 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.19 2qt9 h ASP 605 N 1.18 0.00 -0.30 1.42 3.32 -1.10 0.05 116.42 120.99 2qt9 h ASP 605 Ca 0.32 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.23 2qt9 h ASP 605 Cb -0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2qt9 h ASP 605 CO -0.07 0.14 -0.33 -0.61 -1.72 0.00 0.00 179.24 176.66 2qt9 h GLN 606 N 0.00 0.76 -0.24 3.56 5.75 -1.46 0.14 115.11 123.61 2qt9 h GLN 606 Ca -0.00 -0.41 -0.04 0.00 -0.15 0.00 0.00 58.65 58.04 2qt9 h GLN 606 Cb 0.34 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2qt9 h GLN 606 CO 0.02 1.04 -0.02 0.82 -2.65 0.00 0.00 178.83 178.04 2qt9 h ILE 607 N 0.52 1.26 -0.39 2.39 2.04 -0.98 -2.27 117.51 120.08 2qt9 h ILE 607 Ca 0.04 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2qt9 h ILE 607 Cb 0.91 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2qt9 h ILE 607 CO 0.08 0.30 0.14 -0.08 0.00 0.00 0.00 178.15 178.59 2qt9 h GLU 608 N 0.20 0.56 -0.51 2.37 4.57 -0.99 -2.05 114.58 118.72 2qt9 h GLU 608 Ca 0.07 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2qt9 h GLU 608 Cb 0.44 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2qt9 h GLU 608 CO 0.02 0.48 0.28 0.00 -1.18 0.00 0.00 179.01 178.61 2qt9 h ALA 609 N 1.60 0.66 -0.66 2.92 0.00 -0.30 -0.24 119.26 123.23 2qt9 h ALA 609 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qt9 h ALA 609 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2qt9 h ALA 609 CO -0.01 0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.76 2qt9 h ALA 610 N 1.12 0.85 -0.42 0.00 0.00 -0.84 0.39 119.26 120.36 2qt9 h ALA 610 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qt9 h ALA 610 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2qt9 h ALA 610 CO -0.03 0.38 0.26 0.00 0.00 0.00 0.00 179.25 179.86 2qt9 h ARG 611 N 0.91 0.57 -0.91 0.00 3.08 -0.88 -1.17 114.38 115.98 2qt9 h ARG 611 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2qt9 h ARG 611 Cb 0.07 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2qt9 h ARG 611 CO -0.03 0.42 0.58 1.96 -1.07 0.00 0.00 179.97 181.82 2qt9 h GLN 612 N 0.56 1.21 -0.43 0.04 1.08 -0.62 -1.81 115.11 115.14 2qt9 h GLN 612 Ca 0.15 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2qt9 h GLN 612 Cb -0.01 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.14 2qt9 h GLN 612 CO -0.03 0.82 0.05 0.74 -0.95 0.00 0.00 178.83 179.47 2qt9 h PHE 613 N 1.24 0.77 -0.80 2.96 0.04 -0.38 -2.81 116.94 117.96 2qt9 h PHE 613 Ca 0.33 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 2qt9 h PHE 613 Cb -0.10 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.80 2qt9 h PHE 613 CO -0.00 0.75 0.46 0.66 -0.60 0.00 0.00 178.31 179.57 2qt9 h SER 614 N 0.57 0.99 0.00 2.17 4.64 -0.93 -0.72 113.55 120.27 2qt9 h SER 614 Ca 0.13 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qt9 h SER 614 Cb 0.41 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2qt9 h SER 614 CO 0.01 0.79 0.01 0.29 -0.87 0.00 0.00 176.83 177.06 2qt9 n LYS 615 N -4.43 0.08 0.01 4.77 5.02 -0.71 -0.58 118.16 122.31 2qt9 n LYS 615 Ca 0.08 0.57 0.11 0.00 -2.02 0.00 0.00 58.31 57.05 2qt9 n LYS 615 Cb 0.08 -1.76 0.47 0.00 -0.02 0.00 0.00 35.03 33.79 2qt9 n LYS 615 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2qt9 n MET 616 N -1.91 0.02 -0.13 1.97 2.81 -0.28 -4.93 117.12 114.68 2qt9 n MET 616 Ca -0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2qt9 n MET 616 Cb 0.03 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2qt9 n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qt9 n GLY 617 N 0.77 1.82 1.13 3.03 0.00 0.25 -4.88 105.19 107.31 2qt9 n GLY 617 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2qt9 n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qt9 n PHE 618 N -2.00 1.22 -5.24 1.61 1.16 -1.26 -4.73 117.46 108.22 2qt9 n PHE 618 Ca 0.00 -1.08 -0.31 0.00 -1.87 0.00 0.00 57.45 54.18 2qt9 n PHE 618 Cb 0.00 -0.41 -0.17 0.00 -1.61 0.00 0.00 39.48 37.29 2qt9 n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2qt9 s VAL 619 N -2.95 2.02 -0.61 1.97 1.01 -1.26 -0.43 120.40 120.16 2qt9 s VAL 619 Ca 0.45 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2qt9 s VAL 619 Cb 0.37 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 35.07 2qt9 s VAL 619 CO 0.08 0.56 1.09 -0.62 0.00 0.00 0.00 175.10 176.21 2qt9 s ASP 620 N -0.08 6.33 0.61 3.32 -1.08 0.05 -4.72 116.67 121.09 2qt9 s ASP 620 Ca -0.06 -0.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.98 2qt9 s ASP 620 Cb -0.14 -2.50 1.57 0.00 -1.46 0.00 0.00 42.92 40.39 2qt9 s ASP 620 CO 0.04 -1.45 1.96 0.78 0.52 0.00 0.00 175.17 177.03 2qt9 h ASN 621 N 9.55 0.00 1.21 -0.34 2.35 -1.96 0.58 115.58 126.96 2qt9 h ASN 621 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2qt9 h ASN 621 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2qt9 h ASN 621 CO 1.17 0.00 -0.05 0.29 -1.65 0.00 0.00 177.43 177.18 2qt9 n LYS 622 N -3.53 0.14 -3.26 0.81 5.02 -1.26 -4.23 118.16 111.86 2qt9 n LYS 622 Ca 0.04 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.19 2qt9 n LYS 622 Cb 0.51 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2qt9 n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qt9 n ARG 623 N -1.90 1.83 -4.23 1.97 1.74 0.20 -4.81 116.66 111.45 2qt9 n ARG 623 Ca 0.06 -4.06 -0.34 0.00 -0.77 0.00 0.00 57.85 52.74 2qt9 n ARG 623 Cb 0.39 -1.83 -0.15 0.00 -1.02 0.00 0.00 32.46 29.84 2qt9 n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qt9 s ILE 624 N -2.27 2.64 0.45 0.55 1.01 -1.26 -1.14 121.20 121.18 2qt9 s ILE 624 Ca 0.39 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2qt9 s ILE 624 Cb 0.19 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2qt9 s ILE 624 CO -0.07 0.50 0.05 0.00 0.00 0.00 0.00 174.94 175.42 2qt9 s ALA 625 N 1.15 3.57 -0.14 9.38 0.00 0.46 -0.44 121.76 135.73 2qt9 s ALA 625 Ca 0.01 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.18 2qt9 s ALA 625 Cb -0.14 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.02 2qt9 s ALA 625 CO -0.05 -0.11 0.38 -1.50 0.00 0.00 0.00 175.76 174.47 2qt9 s ILE 626 N -2.75 -0.01 0.07 0.00 2.07 -0.95 -0.88 121.20 118.76 2qt9 s ILE 626 Ca 0.27 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.44 2qt9 s ILE 626 Cb 0.06 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.12 2qt9 s ILE 626 CO 0.14 0.01 0.21 -1.66 -1.91 0.00 0.00 174.94 171.73 2qt9 s TRP 627 N 0.46 0.08 -0.01 3.50 1.48 -0.18 -1.48 118.94 122.80 2qt9 s TRP 627 Ca -0.02 -0.41 -0.29 0.00 -1.06 0.00 0.00 56.10 54.32 2qt9 s TRP 627 Cb -0.04 -0.03 0.10 0.00 -1.16 0.00 0.00 33.47 32.35 2qt9 s TRP 627 CO -0.02 -0.50 0.93 0.20 -4.06 0.00 0.00 176.95 173.50 2qt9 s GLY 628 N -2.50 -0.43 0.03 3.67 0.00 -0.94 -0.72 107.32 106.43 2qt9 s GLY 628 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 44.72 45.78 2qt9 s GLY 628 CO -0.08 0.32 -0.25 0.86 0.00 0.00 0.00 173.10 173.95 2qt9 s TRP 629 N -3.07 2.20 0.00 1.90 -0.11 -1.26 -1.43 118.94 117.17 2qt9 s TRP 629 Ca 0.06 -0.41 0.00 0.00 1.22 0.00 0.00 56.10 56.98 2qt9 s TRP 629 Cb -0.01 -1.34 0.00 0.00 -1.50 0.00 0.00 33.47 30.62 2qt9 s TRP 629 CO -0.07 0.08 0.00 0.45 -4.62 0.00 0.00 176.95 172.79 2qt9 n SER 630 N 1.95 0.00 0.12 5.86 2.88 0.25 -0.10 113.62 124.58 2qt9 n SER 630 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 2qt9 n SER 630 Cb 0.52 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.54 2qt9 n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2qt9 h TYR 631 N 0.00 0.21 -0.35 0.66 5.03 -1.86 0.11 116.97 120.77 2qt9 h TYR 631 Ca 0.00 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 2qt9 h TYR 631 Cb 0.00 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 2qt9 h TYR 631 CO 0.00 0.12 0.00 0.78 -1.32 0.00 0.00 178.16 177.75 2qt9 h GLY 632 N 0.22 0.59 1.00 1.82 0.00 -0.52 -0.78 103.07 105.40 2qt9 h GLY 632 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2qt9 h GLY 632 CO -0.02 0.32 -0.09 -1.33 0.00 0.00 0.00 176.54 175.42 2qt9 h GLY 633 N 0.84 0.89 0.95 4.60 0.00 -0.68 -0.72 103.07 108.96 2qt9 h GLY 633 Ca 0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 2qt9 h GLY 633 CO 0.01 0.67 -0.26 -1.82 0.00 0.00 0.00 176.54 175.13 2qt9 h TYR 634 N 0.65 -0.69 -0.67 5.60 3.20 -0.79 -1.34 116.97 122.94 2qt9 h TYR 634 Ca 0.11 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2qt9 h TYR 634 Cb 0.63 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2qt9 h TYR 634 CO 0.05 -0.41 0.41 0.28 -1.64 0.00 0.00 178.16 176.84 2qt9 h VAL 635 N -0.70 1.07 -0.36 1.81 2.07 -1.15 0.09 116.25 119.08 2qt9 h VAL 635 Ca -0.06 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2qt9 h VAL 635 Cb 0.55 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2qt9 h VAL 635 CO 0.09 0.15 0.09 0.74 0.02 0.00 0.00 177.57 178.66 2qt9 h THR 636 N 0.80 0.85 -0.48 2.57 2.02 -1.02 0.12 112.91 117.77 2qt9 h THR 636 Ca 0.27 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 2qt9 h THR 636 Cb 0.05 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2qt9 h THR 636 CO -0.12 0.04 0.16 0.28 0.37 0.00 0.00 175.52 176.25 2qt9 h SER 637 N 0.23 0.69 -0.91 4.18 0.02 -0.68 0.18 113.55 117.26 2qt9 h SER 637 Ca 0.17 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2qt9 h SER 637 Cb 0.18 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2qt9 h SER 637 CO -0.20 0.70 0.53 0.24 -1.14 0.00 0.00 176.83 176.96 2qt9 h MET 638 N 0.63 1.25 -0.22 3.45 2.86 -0.57 0.17 114.93 122.49 2qt9 h MET 638 Ca 0.15 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2qt9 h MET 638 Cb 0.26 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2qt9 h MET 638 CO -0.01 0.89 -0.06 0.28 1.06 0.00 0.00 176.91 179.07 2qt9 h VAL 639 N 1.26 1.29 0.00 -2.22 2.07 -0.39 -2.09 116.25 116.16 2qt9 h VAL 639 Ca 0.32 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2qt9 h VAL 639 Cb -0.03 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2qt9 h VAL 639 CO -0.06 0.32 -0.11 -0.07 0.02 0.00 0.00 177.57 177.67 2qt9 h LEU 640 N 0.17 0.00 -2.96 2.57 3.38 -0.23 -2.07 115.31 116.16 2qt9 h LEU 640 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qt9 h LEU 640 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2qt9 h LEU 640 CO 0.02 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.28 2qt9 n GLY 641 N -0.82 2.65 0.13 0.83 0.00 0.01 -4.44 105.19 103.56 2qt9 n GLY 641 Ca -0.02 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.30 2qt9 n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qt9 h SER 642 N 4.18 0.00 -0.08 1.61 4.64 -0.66 -3.43 113.55 119.80 2qt9 h SER 642 Ca 0.00 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2qt9 h SER 642 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2qt9 h SER 642 CO 0.12 0.01 -0.03 0.61 -0.87 0.00 0.00 176.83 176.67 2qt9 n GLY 643 N 1.25 0.53 0.24 -0.77 0.00 -1.26 -4.92 105.19 100.26 2qt9 n GLY 643 Ca 0.05 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.74 2qt9 n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qt9 h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.46 113.55 114.42 2qt9 h SER 644 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2qt9 h SER 644 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2qt9 h SER 644 CO 0.05 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2qt9 n GLY 645 N -0.38 1.23 0.20 -0.77 0.00 -1.26 -4.87 105.19 99.34 2qt9 n GLY 645 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2qt9 n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qt9 h VAL 646 N 0.00 1.33 -3.01 1.61 2.07 -1.97 -3.45 116.25 112.84 2qt9 h VAL 646 Ca 0.00 -1.81 -0.65 0.00 0.82 0.00 0.00 66.70 65.06 2qt9 h VAL 646 Cb 0.00 1.81 -0.11 0.00 -1.52 0.00 0.00 31.29 31.46 2qt9 h VAL 646 CO 0.00 0.56 -0.52 -0.36 0.02 0.00 0.00 177.57 177.26 2qt9 s PHE 647 N -3.96 3.41 -0.00 1.57 0.08 -1.26 -4.58 117.98 113.23 2qt9 s PHE 647 Ca -0.06 0.34 -0.15 0.00 0.12 0.00 0.00 56.93 57.17 2qt9 s PHE 647 Cb 0.12 -1.99 -0.34 0.00 -0.57 0.00 0.00 43.02 40.24 2qt9 s PHE 647 CO 0.83 0.48 0.88 -0.22 -0.10 0.00 0.00 175.22 177.08 2qt9 h LYS 648 N 5.70 0.48 -3.72 0.44 3.64 -1.07 -3.46 116.57 118.59 2qt9 h LYS 648 Ca -0.48 -0.82 -0.08 0.00 -1.27 0.00 0.00 60.65 58.00 2qt9 h LYS 648 Cb 1.19 0.31 -0.11 0.00 -0.41 0.00 0.00 32.23 33.21 2qt9 h LYS 648 CO 0.64 1.39 -0.20 0.00 -2.27 0.00 0.00 179.45 179.01 2qt9 s GLY 650 N -2.96 -0.56 -0.10 0.00 0.00 0.16 -2.23 107.32 101.62 2qt9 s GLY 650 Ca 0.17 0.40 -0.00 0.00 0.00 0.00 0.00 44.72 45.30 2qt9 s GLY 650 CO 0.02 0.09 -0.07 -0.42 0.00 0.00 0.00 173.10 172.71 2qt9 s ILE 651 N -3.76 0.96 -0.18 0.90 1.01 -0.55 -1.78 121.20 117.81 2qt9 s ILE 651 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 2qt9 s ILE 651 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2qt9 s ILE 651 CO -0.13 0.35 -0.05 0.00 0.00 0.00 0.00 174.94 175.11 2qt9 s ALA 652 N 1.54 2.85 -0.14 9.38 0.00 -0.53 -2.21 121.76 132.66 2qt9 s ALA 652 Ca 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2qt9 s ALA 652 Cb -0.13 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2qt9 s ALA 652 CO -0.06 -0.08 -0.10 0.08 0.00 0.00 0.00 175.76 175.61 2qt9 s VAL 653 N 0.88 3.32 -1.35 0.00 1.01 -0.52 -1.76 120.40 121.97 2qt9 s VAL 653 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2qt9 s VAL 653 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2qt9 s VAL 653 CO 0.01 0.51 0.41 0.00 0.00 0.00 0.00 175.10 176.03 2qt9 n ALA 654 N 3.61 -2.33 -1.81 5.51 0.00 0.48 -0.58 120.51 125.38 2qt9 n ALA 654 Ca -0.18 -0.48 -0.33 0.00 0.00 0.00 0.00 53.44 52.45 2qt9 n ALA 654 Cb 0.52 -1.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 2qt9 n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qt9 s PRO 655 N -7.27 3.96 0.36 0.00 0.04 -1.26 -3.25 135.00 127.58 2qt9 s PRO 655 Ca 0.27 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 62.17 2qt9 s PRO 655 Cb -0.14 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2qt9 s PRO 655 CO 0.97 -0.26 0.88 0.08 0.04 0.00 0.00 177.00 178.71 2qt9 s VAL 656 N -2.40 4.42 0.00 -0.36 1.01 -1.25 -4.50 120.40 117.32 2qt9 s VAL 656 Ca 0.61 1.44 0.00 0.00 0.00 0.00 0.00 61.98 64.04 2qt9 s VAL 656 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2qt9 s VAL 656 CO 0.25 -0.11 0.00 -1.54 0.00 0.00 0.00 175.10 173.70 2qt9 n SER 657 N -0.11 3.55 -3.66 3.32 3.41 -1.26 -4.12 113.62 114.76 2qt9 n SER 657 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.57 2qt9 n SER 657 Cb 0.52 0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 64.98 2qt9 n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qt9 s ARG 658 N -1.52 0.52 0.55 4.33 1.70 -1.26 -0.65 118.95 122.61 2qt9 s ARG 658 Ca 0.00 1.06 0.23 0.00 -0.47 0.00 0.00 55.73 56.55 2qt9 s ARG 658 Cb 0.00 0.19 1.51 0.00 -0.57 0.00 0.00 34.95 36.08 2qt9 s ARG 658 CO 0.00 -0.17 2.14 -1.49 -1.08 0.00 0.00 175.30 174.70 2qt9 h TRP 659 N 7.34 0.00 0.00 5.89 4.06 -1.87 -0.74 115.95 130.63 2qt9 h TRP 659 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 2qt9 h TRP 659 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2qt9 h TRP 659 CO 0.17 0.00 0.00 0.93 -3.56 0.00 0.00 178.44 175.98 2qt9 h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.92 -1.44 114.58 116.79 2qt9 h GLU 660 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2qt9 h GLU 660 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2qt9 h GLU 660 CO -0.00 0.00 -0.51 1.88 -1.00 0.00 0.00 179.01 179.38 2qt9 h TYR 661 N 0.00 0.00 -3.05 4.33 0.05 -1.51 -3.27 116.97 113.52 2qt9 h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 2qt9 h TYR 661 Cb 0.14 0.00 0.07 0.00 1.01 0.00 0.00 36.73 37.95 2qt9 h TYR 661 CO 0.00 0.00 0.10 -0.47 -1.05 0.00 0.00 178.16 176.74 2qt9 s TYR 662 N -3.16 2.75 0.67 4.88 5.04 -0.54 -4.82 117.35 122.16 2qt9 s TYR 662 Ca 0.07 0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 54.72 2qt9 s TYR 662 Cb 0.13 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.45 2qt9 s TYR 662 CO 0.70 -1.21 1.10 0.16 -1.34 0.00 0.00 175.55 174.96 2qt9 s ASP 663 N -4.50 5.12 0.10 4.32 1.47 -1.26 -0.92 116.67 121.00 2qt9 s ASP 663 Ca 0.60 1.92 -0.27 0.00 1.18 0.00 0.00 52.55 55.98 2qt9 s ASP 663 Cb -0.10 -2.54 -0.11 0.00 -0.34 0.00 0.00 42.92 39.83 2qt9 s ASP 663 CO 0.42 -1.62 1.66 0.77 0.68 0.00 0.00 175.17 177.08 2qt9 h SER 664 N -0.14 -0.55 0.10 2.11 4.64 -0.94 -2.08 113.55 116.68 2qt9 h SER 664 Ca -0.46 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 60.94 2qt9 h SER 664 Cb 1.24 0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.48 2qt9 h SER 664 CO 0.54 -0.30 -0.32 0.58 -0.87 0.00 0.00 176.83 176.46 2qt9 h VAL 665 N -0.43 0.32 0.29 0.95 2.07 -1.94 0.69 116.25 118.19 2qt9 h VAL 665 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qt9 h VAL 665 Cb 0.41 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2qt9 h VAL 665 CO -0.07 0.00 -0.14 0.22 0.02 0.00 0.00 177.57 177.60 2qt9 h TYR 666 N -0.53 -0.36 -0.03 1.57 5.03 -1.93 -3.04 116.97 117.68 2qt9 h TYR 666 Ca 0.04 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.35 2qt9 h TYR 666 Cb 0.57 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2qt9 h TYR 666 CO -0.30 -0.01 -0.03 1.15 -1.32 0.00 0.00 178.16 177.66 2qt9 h THR 667 N -0.78 0.92 0.00 1.81 2.02 -1.36 -2.68 112.91 112.84 2qt9 h THR 667 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2qt9 h THR 667 Cb 0.51 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2qt9 h THR 667 CO 0.06 0.00 -0.09 -0.33 0.37 0.00 0.00 175.52 175.53 2qt9 h GLU 668 N -0.03 0.00 -0.76 6.66 5.08 -0.99 0.29 114.58 124.83 2qt9 h GLU 668 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2qt9 h GLU 668 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2qt9 h GLU 668 CO -0.05 0.09 0.34 -0.09 -1.00 0.00 0.00 179.01 178.30 2qt9 h ARG 669 N 0.00 1.10 0.00 2.33 2.43 -1.35 0.11 114.38 119.00 2qt9 h ARG 669 Ca -0.00 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 58.82 2qt9 h ARG 669 Cb 0.35 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2qt9 h ARG 669 CO 0.01 0.86 -2.15 0.66 -1.51 0.00 0.00 179.97 177.84 2qt9 n TYR 670 N -4.31 0.00 0.40 2.20 4.01 -0.97 -4.64 117.16 113.85 2qt9 n TYR 670 Ca 0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.85 2qt9 n TYR 670 Cb 0.15 -0.72 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 2qt9 n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qt9 n MET 671 N -2.48 2.55 0.00 -0.72 2.81 0.98 0.11 117.12 120.38 2qt9 n MET 671 Ca -0.18 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 2qt9 n MET 671 Cb 0.84 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 2qt9 n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qt9 n GLY 672 N 0.92 0.25 3.89 3.03 0.00 0.02 -4.68 105.19 108.61 2qt9 n GLY 672 Ca 0.03 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 2qt9 n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt9 s LEU 673 N 0.00 4.37 -1.58 0.99 1.43 -1.26 -4.23 118.68 118.40 2qt9 s LEU 673 Ca 0.00 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 2qt9 s LEU 673 Cb 0.00 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.53 2qt9 s LEU 673 CO 0.00 0.26 2.84 -0.81 0.23 0.00 0.00 176.35 178.87 2qt9 n PRO 674 N 1.13 3.72 -4.20 1.29 -0.04 -1.26 -1.65 135.00 133.99 2qt9 n PRO 674 Ca -0.12 -2.37 -0.19 0.00 -0.04 0.00 0.00 63.50 60.79 2qt9 n PRO 674 Cb 0.53 -2.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.04 2qt9 n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qt9 s THR 675 N 1.92 1.22 0.47 0.52 -4.23 -1.26 -4.62 115.64 109.66 2qt9 s THR 675 Ca 0.66 -1.43 0.17 0.00 -1.18 0.00 0.00 61.69 59.91 2qt9 s THR 675 Cb 0.18 -1.23 0.35 0.00 1.34 0.00 0.00 72.50 73.13 2qt9 s THR 675 CO -0.07 -0.26 1.99 1.55 -0.54 0.00 0.00 174.62 177.30 2qt9 h PRO 676 N 4.08 0.25 0.00 3.99 0.13 -1.96 0.19 132.00 138.68 2qt9 h PRO 676 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qt9 h PRO 676 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2qt9 h PRO 676 CO 0.43 0.17 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 2qt9 n GLU 677 N -4.45 0.56 0.00 0.86 4.71 -1.26 -4.69 120.64 116.37 2qt9 n GLU 677 Ca 0.09 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 2qt9 n GLU 677 Cb 0.43 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 2qt9 n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qt9 n ASP 678 N -1.18 0.00 -0.34 1.62 2.03 0.59 -5.05 116.55 114.23 2qt9 n ASP 678 Ca 0.15 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.52 2qt9 n ASP 678 Cb 0.16 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.66 2qt9 n ASP 678 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2qt9 n ASN 679 N 0.00 1.42 -0.24 1.67 5.15 -0.66 -4.83 115.26 117.77 2qt9 n ASN 679 Ca 0.00 -2.73 0.04 0.00 -0.60 0.00 0.00 54.58 51.30 2qt9 n ASN 679 Cb 0.00 -0.35 0.16 0.00 -0.53 0.00 0.00 39.78 39.06 2qt9 n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2qt9 h LEU 680 N 0.14 0.02 -0.73 1.20 5.85 -1.43 -1.61 115.31 118.75 2qt9 h LEU 680 Ca -0.01 0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.95 2qt9 h LEU 680 Cb 1.19 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.32 2qt9 h LEU 680 CO 0.01 -0.02 0.35 0.44 -0.34 0.00 0.00 178.44 178.88 2qt9 h ASP 681 N 0.28 0.43 0.69 1.25 3.32 -1.88 -0.04 116.42 120.47 2qt9 h ASP 681 Ca 0.39 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.38 2qt9 h ASP 681 Cb 0.64 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2qt9 h ASP 681 CO -0.48 0.23 -0.63 -0.74 -1.72 0.00 0.00 179.24 175.90 2qt9 h HIS 682 N 0.57 0.00 -0.79 4.55 2.76 -1.67 -1.74 115.15 118.83 2qt9 h HIS 682 Ca 0.37 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2qt9 h HIS 682 Cb 0.44 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 2qt9 h HIS 682 CO -0.12 0.63 0.48 1.88 -1.30 0.00 0.00 177.93 179.50 2qt9 h TYR 683 N 0.00 1.03 0.00 5.26 0.05 -0.58 -2.26 116.97 120.47 2qt9 h TYR 683 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2qt9 h TYR 683 Cb 1.14 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.54 2qt9 h TYR 683 CO 0.00 0.69 0.00 0.00 -1.05 0.00 0.00 178.16 177.80 2qt9 h ARG 684 N 1.08 0.00 0.00 4.88 2.47 -0.88 -3.27 114.38 118.66 2qt9 h ARG 684 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2qt9 h ARG 684 Cb -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2qt9 h ARG 684 CO -0.05 0.00 -0.62 -1.71 0.56 0.00 0.00 179.97 178.15 2qt9 n ASN 685 N -3.02 0.58 -1.36 7.04 4.05 -0.67 -4.23 115.26 117.65 2qt9 n ASN 685 Ca 0.04 -0.16 0.01 0.00 0.45 0.00 0.00 54.58 54.92 2qt9 n ASN 685 Cb 0.51 0.32 0.27 0.00 1.23 0.00 0.00 39.78 42.11 2qt9 n ASN 685 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2qt9 n SER 686 N -1.72 4.01 -4.87 1.20 3.41 -0.88 -5.01 113.62 109.76 2qt9 n SER 686 Ca 0.04 -3.24 -0.31 0.00 -0.26 0.00 0.00 58.87 55.11 2qt9 n SER 686 Cb 0.38 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 2qt9 n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qt9 s THR 687 N -2.97 4.81 0.12 6.66 -4.23 -1.26 -4.81 115.64 113.96 2qt9 s THR 687 Ca 0.48 0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 61.47 2qt9 s THR 687 Cb 0.39 -3.66 -0.06 0.00 1.34 0.00 0.00 72.50 70.50 2qt9 s THR 687 CO 0.09 -0.28 1.45 0.58 -0.54 0.00 0.00 174.62 175.92 2qt9 h VAL 688 N 1.62 1.29 -0.98 2.29 2.07 -1.23 -3.27 116.25 118.04 2qt9 h VAL 688 Ca -0.47 -1.45 0.21 0.00 0.82 0.00 0.00 66.70 65.80 2qt9 h VAL 688 Cb 1.18 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 2qt9 h VAL 688 CO 0.66 0.47 0.62 0.24 0.02 0.00 0.00 177.57 179.58 2qt9 h MET 689 N 0.57 0.56 0.00 1.57 2.86 -1.91 -0.71 114.93 117.86 2qt9 h MET 689 Ca 0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2qt9 h MET 689 Cb 0.86 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2qt9 h MET 689 CO 0.07 0.37 0.00 -1.13 1.06 0.00 0.00 176.91 177.28 2qt9 n SER 690 N -4.64 0.00 -0.83 1.22 3.41 -1.23 -2.17 113.62 109.38 2qt9 n SER 690 Ca 0.22 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 2qt9 n SER 690 Cb 0.67 -0.48 0.20 0.00 -0.26 0.00 0.00 64.21 64.34 2qt9 n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qt9 n ARG 691 N -1.48 2.95 -0.23 4.33 1.74 -0.27 -4.73 116.66 118.97 2qt9 n ARG 691 Ca 0.03 -2.32 0.02 0.00 -0.77 0.00 0.00 57.85 54.81 2qt9 n ARG 691 Cb 0.12 -1.46 0.12 0.00 -1.02 0.00 0.00 32.46 30.23 2qt9 n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qt9 h ALA 692 N 2.35 0.67 -0.68 7.54 0.00 -1.51 -0.85 119.26 126.76 2qt9 h ALA 692 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2qt9 h ALA 692 Cb 0.95 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2qt9 h ALA 692 CO 0.06 -0.40 0.45 1.49 0.00 0.00 0.00 179.25 180.85 2qt9 h GLU 693 N 0.11 0.47 0.00 0.00 4.57 -1.86 -0.16 114.58 117.71 2qt9 h GLU 693 Ca 0.36 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2qt9 h GLU 693 Cb 0.59 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2qt9 h GLU 693 CO -0.58 0.31 0.00 0.09 -1.18 0.00 0.00 179.01 177.64 2qt9 n ASN 694 N -4.48 0.59 0.00 1.04 3.02 -0.33 -2.57 115.26 112.53 2qt9 n ASN 694 Ca 0.12 0.63 0.08 0.00 -0.03 0.00 0.00 54.58 55.37 2qt9 n ASN 694 Cb 0.40 -0.76 0.35 0.00 -0.61 0.00 0.00 39.78 39.16 2qt9 n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qt9 n PHE 695 N -2.13 0.00 0.31 3.10 3.72 -0.07 -2.25 117.46 120.14 2qt9 n PHE 695 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 2qt9 n PHE 695 Cb 0.25 -0.48 0.49 0.00 -0.94 0.00 0.00 39.48 38.80 2qt9 n PHE 695 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qt9 n LYS 696 N -1.48 0.16 0.00 -1.08 5.02 -1.06 -2.38 118.16 117.33 2qt9 n LYS 696 Ca 0.04 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 56.94 2qt9 n LYS 696 Cb 0.18 -1.86 0.27 0.00 -0.02 0.00 0.00 35.03 33.60 2qt9 n LYS 696 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qt9 n GLN 697 N -2.17 0.62 -4.29 1.97 6.02 -0.95 -4.98 117.38 113.60 2qt9 n GLN 697 Ca 0.01 -0.40 -0.15 0.00 -0.01 0.00 0.00 57.00 56.45 2qt9 n GLN 697 Cb 0.15 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 2qt9 n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2qt9 s VAL 698 N -2.65 0.47 -0.27 5.09 -7.23 -1.00 -4.96 120.40 109.85 2qt9 s VAL 698 Ca 0.19 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 2qt9 s VAL 698 Cb 0.18 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2qt9 s VAL 698 CO 0.59 -0.06 0.23 -1.61 -0.31 0.00 0.00 175.10 173.94 2qt9 s GLU 699 N -4.04 3.97 -0.03 4.82 2.02 -0.77 -4.99 118.70 119.68 2qt9 s GLU 699 Ca 0.36 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 55.20 2qt9 s GLU 699 Cb 0.07 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 2qt9 s GLU 699 CO 0.12 -0.19 -0.25 -0.47 0.02 0.00 0.00 175.26 174.49 2qt9 s TYR 700 N 1.79 2.31 -0.14 1.61 5.04 -1.26 -0.67 117.35 126.03 2qt9 s TYR 700 Ca 0.09 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2qt9 s TYR 700 Cb -0.16 -1.49 0.02 0.00 0.35 0.00 0.00 41.96 40.68 2qt9 s TYR 700 CO 0.10 -0.08 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.93 2qt9 s LEU 701 N -0.50 1.62 -0.12 6.97 2.96 -0.73 -0.09 118.68 128.78 2qt9 s LEU 701 Ca 0.07 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2qt9 s LEU 701 Cb -0.11 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 2qt9 s LEU 701 CO 0.00 -0.06 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.66 2qt9 s LEU 702 N 1.51 2.98 -0.01 -0.68 2.96 0.11 -1.45 118.68 124.11 2qt9 s LEU 702 Ca 0.05 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2qt9 s LEU 702 Cb -0.13 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2qt9 s LEU 702 CO -0.10 0.21 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.47 2qt9 s ILE 703 N 0.10 0.34 -0.19 6.68 1.01 -0.72 -1.06 121.20 127.36 2qt9 s ILE 703 Ca -0.03 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 2qt9 s ILE 703 Cb -0.14 -0.31 0.06 0.00 0.01 0.00 0.00 42.46 42.08 2qt9 s ILE 703 CO 0.04 0.11 0.64 -2.28 0.00 0.00 0.00 174.94 173.44 2qt9 s HIS 704 N 0.06 -0.67 0.07 3.97 2.46 -0.91 -0.39 115.29 119.89 2qt9 s HIS 704 Ca -0.00 1.54 -0.23 0.00 0.47 0.00 0.00 55.06 56.83 2qt9 s HIS 704 Cb -0.04 0.27 -0.06 0.00 -0.13 0.00 0.00 32.58 32.62 2qt9 s HIS 704 CO -0.00 -0.40 0.71 0.20 -2.47 0.00 0.00 174.74 172.78 2qt9 s GLY 705 N -0.05 2.78 0.55 1.59 0.00 -1.26 -1.10 107.32 109.82 2qt9 s GLY 705 Ca -0.03 0.22 0.33 0.00 0.00 0.00 0.00 44.72 45.25 2qt9 s GLY 705 CO 0.03 0.88 2.00 -0.91 0.00 0.00 0.00 173.10 175.10 2qt9 h THR 706 N 3.82 0.07 -0.74 0.90 1.35 -1.33 -3.01 112.91 113.98 2qt9 h THR 706 Ca -0.46 -0.53 -0.41 0.00 -0.55 0.00 0.00 66.41 64.46 2qt9 h THR 706 Cb 1.21 1.49 -0.24 0.00 -1.73 0.00 0.00 68.15 68.88 2qt9 h THR 706 CO 0.68 0.02 0.32 0.00 -0.25 0.00 0.00 175.52 176.30 2qt9 n ALA 707 N -2.11 5.19 -2.28 6.62 0.00 -0.43 -4.73 120.51 122.78 2qt9 n ALA 707 Ca 0.00 -3.12 -0.42 0.00 0.00 0.00 0.00 53.44 49.90 2qt9 n ALA 707 Cb 0.30 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2qt9 n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qt9 s ASP 708 N -1.97 6.05 0.20 0.00 -1.08 -1.14 -4.29 116.67 114.45 2qt9 s ASP 708 Ca 0.53 0.62 0.26 0.00 -0.52 0.00 0.00 52.55 53.43 2qt9 s ASP 708 Cb 0.45 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 40.08 2qt9 s ASP 708 CO 0.05 -1.70 1.69 -2.24 0.52 0.00 0.00 175.17 173.48 2qt9 h ASP 709 N 11.70 0.00 0.00 -0.34 2.03 -1.92 -3.35 116.42 124.54 2qt9 h ASP 709 Ca -0.28 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 2qt9 h ASP 709 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2qt9 h ASP 709 CO 1.13 0.02 0.00 -3.20 -1.03 0.00 0.00 179.24 176.16 2qt9 n ASN 710 N -2.27 0.00 -4.35 4.15 2.85 -1.26 -4.74 115.26 109.64 2qt9 n ASN 710 Ca 0.05 0.18 -0.45 0.00 -0.11 0.00 0.00 54.58 54.25 2qt9 n ASN 710 Cb 0.44 -0.37 -0.06 0.00 1.24 0.00 0.00 39.78 41.03 2qt9 n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2qt9 s VAL 711 N -0.73 5.20 0.46 3.44 1.01 -1.26 -4.84 120.40 123.68 2qt9 s VAL 711 Ca 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 60.45 2qt9 s VAL 711 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 2qt9 s VAL 711 CO 0.00 -0.76 1.43 -1.00 0.00 0.00 0.00 175.10 174.77 2qt9 s HIS 712 N 1.68 2.42 0.56 5.22 3.76 -1.26 -4.74 115.29 122.94 2qt9 s HIS 712 Ca 0.04 1.26 0.33 0.00 -0.15 0.00 0.00 55.06 56.54 2qt9 s HIS 712 Cb -0.27 -3.93 1.47 0.00 1.11 0.00 0.00 32.58 30.96 2qt9 s HIS 712 CO 0.05 -2.98 1.81 0.35 -0.85 0.00 0.00 174.74 173.12 2qt9 h PHE 713 N 2.24 0.00 -0.88 1.40 3.57 -1.79 0.31 116.94 121.78 2qt9 h PHE 713 Ca -0.51 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.23 2qt9 h PHE 713 Cb 1.27 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.87 2qt9 h PHE 713 CO 0.50 0.00 0.29 0.37 -2.23 0.00 0.00 178.31 177.23 2qt9 h GLN 714 N 0.00 0.25 -0.64 1.11 4.15 -1.94 -0.31 115.11 117.73 2qt9 h GLN 714 Ca 0.43 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.91 2qt9 h GLN 714 Cb 1.89 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 29.47 2qt9 h GLN 714 CO -0.00 0.16 0.31 1.96 -1.93 0.00 0.00 178.83 179.33 2qt9 h GLN 715 N 0.25 0.55 0.00 1.69 4.20 -0.68 -0.78 115.11 120.34 2qt9 h GLN 715 Ca 0.56 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 59.09 2qt9 h GLN 715 Cb 1.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 2qt9 h GLN 715 CO -0.62 0.36 -0.69 0.77 -0.67 0.00 0.00 178.83 177.98 2qt9 h SER 716 N 0.57 0.00 -0.27 1.46 0.02 -1.31 -2.93 113.55 111.08 2qt9 h SER 716 Ca 0.30 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2qt9 h SER 716 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2qt9 h SER 716 CO -0.23 0.69 0.05 0.00 -1.14 0.00 0.00 176.83 176.20 2qt9 h ALA 717 N 1.31 1.42 0.01 3.77 0.00 -0.19 -0.81 119.26 124.77 2qt9 h ALA 717 Ca -0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2qt9 h ALA 717 Cb 1.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2qt9 h ALA 717 CO 0.09 0.41 -0.93 1.96 0.00 0.00 0.00 179.25 180.79 2qt9 h GLN 718 N 0.52 0.06 -0.03 0.00 1.08 -1.16 -2.56 115.11 113.02 2qt9 h GLN 718 Ca 0.12 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2qt9 h GLN 718 Cb 0.26 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2qt9 h GLN 718 CO 0.00 0.94 -0.01 0.82 -0.95 0.00 0.00 178.83 179.64 2qt9 h ILE 719 N 0.02 1.29 -0.86 2.54 2.04 -1.25 -2.21 117.51 119.08 2qt9 h ILE 719 Ca -0.03 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2qt9 h ILE 719 Cb 1.62 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 39.46 2qt9 h ILE 719 CO 0.13 0.23 0.52 0.77 0.00 0.00 0.00 178.15 179.80 2qt9 h SER 720 N -0.28 1.03 -0.25 1.72 4.64 -1.21 -1.31 113.55 117.89 2qt9 h SER 720 Ca 0.01 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 2qt9 h SER 720 Cb 0.38 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2qt9 h SER 720 CO 0.00 0.79 -0.23 0.50 -0.87 0.00 0.00 176.83 177.02 2qt9 h LYS 721 N 1.18 0.72 -0.57 4.77 3.64 -1.44 0.31 116.57 125.18 2qt9 h LYS 721 Ca 0.31 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2qt9 h LYS 721 Cb -0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2qt9 h LYS 721 CO -0.06 0.88 -0.00 0.00 -2.27 0.00 0.00 179.45 178.00 2qt9 h ALA 722 N 1.12 0.92 -0.26 5.00 0.00 -0.82 -0.15 119.26 125.07 2qt9 h ALA 722 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2qt9 h ALA 722 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qt9 h ALA 722 CO 0.06 0.64 -0.10 -0.07 0.00 0.00 0.00 179.25 179.78 2qt9 h LEU 723 N 0.91 0.54 -0.77 0.00 3.38 -0.95 -2.81 115.31 115.62 2qt9 h LEU 723 Ca 0.17 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2qt9 h LEU 723 Cb 0.53 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2qt9 h LEU 723 CO 0.03 0.81 0.47 0.58 0.09 0.00 0.00 178.44 180.43 2qt9 h VAL 724 N 0.27 1.06 0.00 1.22 2.07 -0.74 -1.03 116.25 119.09 2qt9 h VAL 724 Ca 0.06 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2qt9 h VAL 724 Cb 0.60 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2qt9 h VAL 724 CO 0.03 0.16 -0.05 0.44 0.02 0.00 0.00 177.57 178.18 2qt9 h ASP 725 N 0.89 0.00 -0.44 0.57 3.32 -0.79 -1.64 116.42 118.33 2qt9 h ASP 725 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2qt9 h ASP 725 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2qt9 h ASP 725 CO -0.14 0.05 0.00 1.33 -1.72 0.00 0.00 179.24 178.76 2qt9 n VAL 726 N -3.74 1.19 -3.14 -1.35 0.24 -0.99 -4.98 118.33 105.55 2qt9 n VAL 726 Ca -0.02 -1.10 -0.14 0.00 -2.04 0.00 0.00 64.34 61.04 2qt9 n VAL 726 Cb 0.15 0.40 0.05 0.00 -1.47 0.00 0.00 33.84 32.97 2qt9 n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qt9 n GLY 727 N 0.70 0.07 3.69 7.63 0.00 -0.62 -4.98 105.19 111.68 2qt9 n GLY 727 Ca 0.16 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2qt9 n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt9 s VAL 728 N -3.19 5.33 0.22 1.61 1.01 -0.44 -5.03 120.40 119.91 2qt9 s VAL 728 Ca 0.35 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 2qt9 s VAL 728 Cb -0.15 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 2qt9 s VAL 728 CO 0.43 0.40 0.71 -0.62 0.00 0.00 0.00 175.10 176.02 2qt9 s ASP 729 N 0.67 7.04 0.30 3.32 2.15 -1.26 -4.46 116.67 124.43 2qt9 s ASP 729 Ca 0.07 1.39 -0.18 0.00 0.43 0.00 0.00 52.55 54.27 2qt9 s ASP 729 Cb -0.12 -2.41 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2qt9 s ASP 729 CO 0.01 0.04 0.69 0.72 -0.17 0.00 0.00 175.17 176.45 2qt9 s PHE 730 N -1.52 0.01 0.03 -5.34 -0.71 -1.26 -4.76 117.98 104.44 2qt9 s PHE 730 Ca 0.43 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 2qt9 s PHE 730 Cb -0.17 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 2qt9 s PHE 730 CO 0.21 -1.26 0.10 -0.65 -1.34 0.00 0.00 175.22 172.28 2qt9 s GLN 731 N -3.57 3.08 0.06 1.99 -1.52 0.88 -5.02 119.66 115.56 2qt9 s GLN 731 Ca 0.15 -0.54 -0.04 0.00 -1.95 0.00 0.00 55.36 52.98 2qt9 s GLN 731 Cb -0.05 -2.86 -0.02 0.00 -0.22 0.00 0.00 33.01 29.86 2qt9 s GLN 731 CO 0.09 0.62 0.06 0.00 -0.25 0.00 0.00 175.29 175.80 2qt9 s ALA 732 N -1.31 0.20 -0.24 6.09 0.00 -1.26 -0.71 121.76 124.53 2qt9 s ALA 732 Ca 0.27 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2qt9 s ALA 732 Cb -0.12 0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.43 2qt9 s ALA 732 CO 0.19 -0.41 0.55 1.41 0.00 0.00 0.00 175.76 177.50 2qt9 s MET 733 N -3.74 0.52 0.10 0.00 1.75 -0.22 -4.92 119.30 112.79 2qt9 s MET 733 Ca 0.05 1.12 0.04 0.00 -1.25 0.00 0.00 55.69 55.65 2qt9 s MET 733 Cb 0.06 0.28 -0.04 0.00 2.84 0.00 0.00 34.83 37.97 2qt9 s MET 733 CO -0.10 -0.18 0.07 1.67 -0.65 0.00 0.00 175.02 175.83 2qt9 s TRP 734 N 2.02 3.13 -0.31 4.11 -2.14 -1.26 -2.14 118.94 122.34 2qt9 s TRP 734 Ca -0.07 0.03 0.03 0.00 2.66 0.00 0.00 56.10 58.75 2qt9 s TRP 734 Cb -0.09 -1.58 0.08 0.00 -3.10 0.00 0.00 33.47 28.79 2qt9 s TRP 734 CO -0.16 0.51 0.00 0.71 -2.66 0.00 0.00 176.95 175.35 2qt9 s TYR 735 N -1.45 3.57 -0.07 1.66 2.02 -0.26 -4.93 117.35 117.90 2qt9 s TYR 735 Ca 0.29 -2.70 -0.36 0.00 -0.37 0.00 0.00 57.07 53.93 2qt9 s TYR 735 Cb -0.12 -2.57 -0.14 0.00 -0.40 0.00 0.00 41.96 38.74 2qt9 s TYR 735 CO 0.21 -0.92 1.69 2.41 -1.57 0.00 0.00 175.55 177.37 2qt9 n THR 736 N 4.35 0.29 -1.45 -0.71 -1.04 -1.26 -1.76 114.28 112.70 2qt9 n THR 736 Ca -0.03 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 61.77 2qt9 n THR 736 Cb 0.42 -1.44 -0.07 0.00 -1.82 0.00 0.00 70.33 67.42 2qt9 n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2qt9 n ASP 737 N 4.96 -5.35 -4.90 8.00 8.00 -1.26 -4.88 116.55 121.12 2qt9 n ASP 737 Ca 0.22 0.38 -0.32 0.00 0.71 0.00 0.00 54.79 55.79 2qt9 n ASP 737 Cb 0.23 -4.21 -0.05 0.00 -0.02 0.00 0.00 41.12 37.07 2qt9 n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qt9 s GLU 738 N -3.27 3.60 0.00 -1.24 0.41 -0.86 -4.66 118.70 112.67 2qt9 s GLU 738 Ca 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.43 2qt9 s GLU 738 Cb 0.00 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 2qt9 s GLU 738 CO 0.00 0.49 0.00 -0.40 -0.49 0.00 0.00 175.26 174.86 2qt9 n ASP 739 N 0.14 0.20 0.33 -0.19 5.68 -1.26 -1.31 116.55 120.14 2qt9 n ASP 739 Ca -0.03 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.48 2qt9 n ASP 739 Cb 0.52 0.00 1.14 0.00 -1.14 0.00 0.00 41.12 41.64 2qt9 n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2qt9 h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.91 -2.20 115.15 113.15 2qt9 h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2qt9 h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2qt9 h HIS 740 CO 0.00 0.00 -1.02 0.41 -0.00 0.00 0.00 177.93 177.32 2qt9 n GLY 741 N -0.93 -1.36 4.05 5.26 0.00 -1.26 -4.94 105.19 106.01 2qt9 n GLY 741 Ca -0.02 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2qt9 n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qt9 n ILE 742 N -2.38 -1.43 0.49 -0.61 5.41 -0.83 -4.81 119.36 115.20 2qt9 n ILE 742 Ca 0.01 -0.46 0.08 0.00 1.00 0.00 0.00 62.75 63.37 2qt9 n ILE 742 Cb 0.51 -1.29 0.09 0.00 -0.71 0.00 0.00 39.64 38.23 2qt9 n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qt9 n ALA 743 N -4.24 2.44 -1.73 -1.39 0.00 -1.26 -3.93 120.51 110.40 2qt9 n ALA 743 Ca -0.20 -0.71 -0.36 0.00 0.00 0.00 0.00 53.44 52.16 2qt9 n ALA 743 Cb 0.54 -0.52 0.05 0.00 0.00 0.00 0.00 19.45 19.52 2qt9 n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qt9 s SER 744 N -1.22 4.85 0.16 0.00 1.04 -1.26 -4.72 113.70 112.55 2qt9 s SER 744 Ca 0.20 2.51 -0.23 0.00 0.48 0.00 0.00 55.95 58.91 2qt9 s SER 744 Cb 0.13 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.70 2qt9 s SER 744 CO 0.19 -1.83 1.60 -1.28 0.98 0.00 0.00 173.24 172.90 2qt9 h SER 745 N 0.68 -1.08 -0.36 7.02 0.87 -1.99 0.12 113.55 118.80 2qt9 h SER 745 Ca -0.51 0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 2qt9 h SER 745 Cb 1.32 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 2qt9 h SER 745 CO 0.54 -0.32 0.03 0.71 -0.53 0.00 0.00 176.83 177.26 2qt9 h THR 746 N -0.26 1.25 -0.57 2.23 1.35 -1.99 -2.73 112.91 112.19 2qt9 h THR 746 Ca 0.17 -0.91 -0.10 0.00 -0.55 0.00 0.00 66.41 65.01 2qt9 h THR 746 Cb 0.54 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2qt9 h THR 746 CO -0.53 0.30 -0.05 0.00 -0.25 0.00 0.00 175.52 175.00 2qt9 h ALA 747 N 0.89 0.84 -0.36 6.62 0.00 -1.84 -1.11 119.26 124.30 2qt9 h ALA 747 Ca 0.11 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2qt9 h ALA 747 Cb 0.41 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2qt9 h ALA 747 CO 0.01 0.66 0.13 1.25 0.00 0.00 0.00 179.25 181.30 2qt9 h HIS 748 N 0.93 0.23 -0.38 0.00 2.76 -0.73 0.14 115.15 118.09 2qt9 h HIS 748 Ca 0.16 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 2qt9 h HIS 748 Cb 0.60 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2qt9 h HIS 748 CO 0.04 0.10 -0.21 1.96 -1.30 0.00 0.00 177.93 178.52 2qt9 h GLN 749 N 0.28 0.73 -0.35 5.26 4.20 -1.30 -2.84 115.11 121.10 2qt9 h GLN 749 Ca 0.16 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2qt9 h GLN 749 Cb 0.13 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2qt9 h GLN 749 CO -0.16 0.88 -0.23 1.25 -0.67 0.00 0.00 178.83 179.90 2qt9 h HIS 750 N 0.64 0.90 -0.38 2.96 2.76 -0.45 -1.77 115.15 119.81 2qt9 h HIS 750 Ca 0.09 -0.24 -0.12 0.00 -2.20 0.00 0.00 60.37 57.90 2qt9 h HIS 750 Cb 0.70 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2qt9 h HIS 750 CO 0.03 0.99 -0.25 0.97 -1.30 0.00 0.00 177.93 178.37 2qt9 h ILE 751 N 0.55 1.28 -0.02 6.26 2.10 -0.74 0.03 117.51 126.97 2qt9 h ILE 751 Ca 0.07 -1.40 -0.10 0.00 1.08 0.00 0.00 64.86 64.51 2qt9 h ILE 751 Cb 0.79 1.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 2qt9 h ILE 751 CO 0.06 0.47 -0.45 1.88 -1.08 0.00 0.00 178.15 179.03 2qt9 h TYR 752 N 0.64 0.05 -0.19 2.19 0.05 -1.52 0.11 116.97 118.31 2qt9 h TYR 752 Ca 0.08 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 2qt9 h TYR 752 Cb 0.82 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.54 2qt9 h TYR 752 CO 0.06 0.48 -0.12 1.15 -1.05 0.00 0.00 178.16 178.69 2qt9 h THR 753 N 0.04 1.32 -0.48 -2.88 2.02 -1.12 -0.86 112.91 110.94 2qt9 h THR 753 Ca -0.00 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 2qt9 h THR 753 Cb 0.80 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2qt9 h THR 753 CO 0.06 0.36 0.29 -0.74 0.37 0.00 0.00 175.52 175.86 2qt9 h HIS 754 N 0.08 0.63 -0.28 3.16 -0.00 -0.54 -2.37 115.15 115.84 2qt9 h HIS 754 Ca 0.04 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.33 2qt9 h HIS 754 Cb 0.62 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2qt9 h HIS 754 CO 0.07 0.44 -0.18 0.52 -0.00 0.00 0.00 177.93 178.78 2qt9 h MET 755 N 0.64 0.49 -0.37 5.26 2.07 -0.76 -2.64 114.93 119.63 2qt9 h MET 755 Ca 0.17 -0.16 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2qt9 h MET 755 Cb -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.66 2qt9 h MET 755 CO -0.03 0.65 0.22 0.77 1.07 0.00 0.00 176.91 179.59 2qt9 h SER 756 N 0.45 0.45 -0.82 1.22 0.02 -0.66 -0.89 113.55 113.31 2qt9 h SER 756 Ca 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2qt9 h SER 756 Cb 0.57 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 2qt9 h SER 756 CO 0.04 0.37 0.48 0.45 -1.14 0.00 0.00 176.83 177.03 2qt9 h HIS 757 N 0.49 1.10 -0.41 3.45 3.86 -1.29 -1.26 115.15 121.09 2qt9 h HIS 757 Ca 0.13 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2qt9 h HIS 757 Cb 0.01 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 2qt9 h HIS 757 CO -0.04 0.74 0.20 0.35 0.86 0.00 0.00 177.93 180.05 2qt9 h PHE 758 N 1.13 0.58 0.01 2.45 3.57 -1.08 -0.20 116.94 123.40 2qt9 h PHE 758 Ca 0.29 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2qt9 h PHE 758 Cb -0.02 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2qt9 h PHE 758 CO -0.00 0.48 -0.00 0.82 -2.23 0.00 0.00 178.31 177.37 2qt9 h ILE 759 N 0.52 1.23 -0.97 1.41 1.08 -0.97 -0.67 117.51 119.14 2qt9 h ILE 759 Ca 0.14 -0.70 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2qt9 h ILE 759 Cb 0.11 1.70 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 2qt9 h ILE 759 CO -0.02 0.18 0.63 0.11 -0.69 0.00 0.00 178.15 178.36 2qt9 h LYS 760 N -0.31 1.13 -0.38 2.37 1.57 -1.19 0.07 116.57 119.82 2qt9 h LYS 760 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2qt9 h LYS 760 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2qt9 h LYS 760 CO 0.00 0.75 0.15 0.37 -0.57 0.00 0.00 179.45 180.15 2qt9 h GLN 761 N 1.16 0.58 -0.37 3.15 -0.00 -0.92 0.67 115.11 119.38 2qt9 h GLN 761 Ca 0.41 -0.11 -0.03 0.00 -0.00 0.00 0.00 58.65 58.92 2qt9 h GLN 761 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 2qt9 h GLN 761 CO -0.16 0.56 0.10 0.00 0.00 0.00 0.00 178.83 179.33 2qt9 n PHE 763 N -4.35 1.42 -3.91 0.00 3.72 -0.07 -4.94 117.46 109.33 2qt9 n PHE 763 Ca 0.02 -0.55 -0.25 0.00 -0.05 0.00 0.00 57.45 56.62 2qt9 n PHE 763 Cb 0.18 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 2qt9 n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qt9 n SER 764 N 0.92 -0.79 -4.50 4.37 7.64 -0.44 -4.95 113.62 115.86 2qt9 n SER 764 Ca 0.23 -0.96 -0.35 0.00 1.01 0.00 0.00 58.87 58.80 2qt9 n SER 764 Cb 0.86 -3.27 -0.12 0.00 -1.01 0.00 0.00 64.21 60.67 2qt9 n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qt9 s LEU 765 N -6.93 3.47 0.00 -3.43 1.43 0.22 -5.01 118.68 108.43 2qt9 s LEU 765 Ca 0.07 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2qt9 s LEU 765 Cb -0.03 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2qt9 s LEU 765 CO 0.87 0.07 0.41 -2.65 0.23 0.00 0.00 176.35 175.28