#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aaq s HIS 42 N 0.00 1.87 0.69 5.64 0.09 -1.26 -5.07 115.29 117.24 3aaq s HIS 42 Ca 0.00 -0.86 -0.14 0.00 -0.00 0.00 0.00 55.06 54.06 3aaq s HIS 42 Cb 0.00 -1.15 0.01 0.00 -0.00 0.00 0.00 32.58 31.44 3aaq s HIS 42 CO 0.00 0.09 1.11 -1.12 -0.00 0.00 0.00 174.74 174.82 3aaq s SER 43 N -3.43 4.95 0.02 1.40 0.01 -0.78 -4.86 113.70 111.00 3aaq s SER 43 Ca 0.32 1.97 0.02 0.00 1.31 0.00 0.00 55.95 59.58 3aaq s SER 43 Cb 0.06 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 3aaq s SER 43 CO 0.13 -1.74 -0.07 0.00 0.41 0.00 0.00 173.24 171.97 3aaq s ILE 45 N -0.79 0.05 -0.11 0.00 2.07 -0.58 -4.51 121.20 117.33 3aaq s ILE 45 Ca -0.04 -0.41 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3aaq s ILE 45 Cb -0.06 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 3aaq s ILE 45 CO 0.00 -0.23 -0.07 0.00 -1.91 0.00 0.00 174.94 172.73 3aaq s ALA 46 N -0.69 2.90 -0.13 1.50 0.00 -0.20 -1.23 121.76 123.92 3aaq s ALA 46 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3aaq s ALA 46 Cb -0.05 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.76 3aaq s ALA 46 CO -0.00 0.39 -0.19 0.08 0.00 0.00 0.00 175.76 176.03 3aaq s VAL 47 N -0.18 1.85 -0.25 0.00 1.01 0.16 -0.89 120.40 122.11 3aaq s VAL 47 Ca 0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3aaq s VAL 47 Cb -0.13 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3aaq s VAL 47 CO 0.03 0.51 0.12 -0.63 0.00 0.00 0.00 175.10 175.13 3aaq s ILE 48 N 0.88 4.88 -0.52 2.22 1.01 0.96 -0.61 121.20 130.02 3aaq s ILE 48 Ca -0.07 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 3aaq s ILE 48 Cb -0.15 -3.28 0.07 0.00 0.01 0.00 0.00 42.46 39.11 3aaq s ILE 48 CO -0.02 0.33 0.61 -0.62 0.00 0.00 0.00 174.94 175.25 3aaq s ASP 49 N 1.37 6.20 -0.96 3.58 2.15 0.17 -0.71 116.67 128.48 3aaq s ASP 49 Ca 0.06 -1.11 -0.14 0.00 0.43 0.00 0.00 52.55 51.78 3aaq s ASP 49 Cb -0.15 -2.28 0.20 0.00 -0.30 0.00 0.00 42.92 40.39 3aaq s ASP 49 CO 0.06 -0.92 1.02 0.00 -0.17 0.00 0.00 175.17 175.15 3aaq s ALA 50 N 2.50 3.98 0.76 3.66 0.00 -0.42 -0.95 121.76 131.29 3aaq s ALA 50 Ca 0.13 -3.26 -0.03 0.00 0.00 0.00 0.00 51.96 48.80 3aaq s ALA 50 Cb -0.21 -3.76 0.14 0.00 0.00 0.00 0.00 23.12 19.29 3aaq s ALA 50 CO 0.10 -2.53 1.04 0.20 0.00 0.00 0.00 175.76 174.57 3aaq s GLY 51 N 2.52 1.76 0.42 0.00 0.00 -0.17 -1.53 107.32 110.33 3aaq s GLY 51 Ca 0.28 -1.68 0.20 0.00 0.00 0.00 0.00 44.72 43.51 3aaq s GLY 51 CO -0.08 -1.08 1.86 1.48 0.00 0.00 0.00 173.10 175.28 3aaq h SER 52 N -0.70 0.00 -0.00 1.64 4.64 -1.94 -3.28 113.55 113.92 3aaq h SER 52 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3aaq h SER 52 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3aaq h SER 52 CO 0.39 0.30 -0.43 0.35 -0.87 0.00 0.00 176.83 176.57 3aaq n THR 53 N -3.72 0.00 -3.59 2.95 -2.24 -1.26 -3.90 114.28 102.53 3aaq n THR 53 Ca -0.01 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 3aaq n THR 53 Cb 0.40 1.02 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3aaq n THR 53 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3aaq s GLY 54 N -1.85 -0.47 0.02 3.38 0.00 -1.23 -3.04 107.32 104.13 3aaq s GLY 54 Ca 0.04 0.85 0.08 0.00 0.00 0.00 0.00 44.72 45.70 3aaq s GLY 54 CO 0.38 0.28 -0.24 -0.56 0.00 0.00 0.00 173.10 172.96 3aaq s SER 55 N -3.01 2.88 -0.15 1.64 0.01 -0.10 -1.00 113.70 113.97 3aaq s SER 55 Ca 0.15 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 3aaq s SER 55 Cb 0.07 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 66.06 3aaq s SER 55 CO -0.06 0.25 0.01 -0.13 0.41 0.00 0.00 173.24 173.72 3aaq s ARG 56 N -0.94 0.83 0.00 12.44 3.00 -0.13 -0.88 118.95 133.27 3aaq s ARG 56 Ca 0.10 -0.30 -0.24 0.00 0.00 0.00 0.00 55.73 55.29 3aaq s ARG 56 Cb -0.09 -1.77 -0.05 0.00 0.00 0.00 0.00 34.95 33.03 3aaq s ARG 56 CO 0.01 -0.50 0.73 -1.17 0.00 0.00 0.00 175.30 174.36 3aaq s LEU 57 N 1.84 4.40 -0.12 2.53 2.96 0.67 -0.65 118.68 130.30 3aaq s LEU 57 Ca 0.01 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 3aaq s LEU 57 Cb -0.15 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.41 3aaq s LEU 57 CO -0.07 -0.02 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.84 3aaq s HIS 58 N 0.22 1.70 -0.22 5.38 3.76 0.22 -1.74 115.29 124.60 3aaq s HIS 58 Ca 0.37 -0.87 -0.07 0.00 -0.15 0.00 0.00 55.06 54.34 3aaq s HIS 58 Cb -0.19 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 3aaq s HIS 58 CO 0.21 -0.54 0.06 0.42 -0.85 0.00 0.00 174.74 174.04 3aaq s ILE 59 N 1.54 4.45 -0.04 0.60 1.01 -0.69 -0.67 121.20 127.40 3aaq s ILE 59 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3aaq s ILE 59 Cb -0.13 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3aaq s ILE 59 CO -0.08 0.38 -0.16 -0.31 0.00 0.00 0.00 174.94 174.77 3aaq s TYR 60 N 1.19 2.63 0.02 3.97 2.02 -0.36 -0.31 117.35 126.51 3aaq s TYR 60 Ca 0.04 -0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3aaq s TYR 60 Cb -0.14 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 3aaq s TYR 60 CO 0.03 0.15 0.20 -1.54 -1.57 0.00 0.00 175.55 172.82 3aaq s SER 61 N -0.71 6.38 0.20 2.29 1.04 0.41 -1.53 113.70 121.77 3aaq s SER 61 Ca 0.11 0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.76 3aaq s SER 61 Cb -0.10 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.02 3aaq s SER 61 CO 0.00 0.22 0.41 -0.72 0.98 0.00 0.00 173.24 174.14 3aaq s TYR 62 N -1.40 0.23 0.38 5.02 -0.85 -0.55 -0.46 117.35 119.72 3aaq s TYR 62 Ca 0.30 -0.59 0.08 0.00 -0.52 0.00 0.00 57.07 56.35 3aaq s TYR 62 Cb -0.13 0.15 -0.06 0.00 0.38 0.00 0.00 41.96 42.30 3aaq s TYR 62 CO 0.22 -0.86 0.04 -0.51 -1.52 0.00 0.00 175.55 172.92 3aaq s ASP 63 N -2.95 4.11 -0.06 -0.18 1.01 0.17 -1.87 116.67 116.90 3aaq s ASP 63 Ca 0.16 -1.14 0.04 0.00 0.71 0.00 0.00 52.55 52.32 3aaq s ASP 63 Cb 0.01 -0.46 -0.02 0.00 1.01 0.00 0.00 42.92 43.45 3aaq s ASP 63 CO 0.02 -0.37 -0.16 -0.89 0.21 0.00 0.00 175.17 173.97 3aaq s THR 64 N -2.60 2.87 0.00 -1.27 2.01 -1.26 0.40 115.64 115.79 3aaq s THR 64 Ca 0.36 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3aaq s THR 64 Cb 0.04 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.43 3aaq s THR 64 CO 0.20 0.58 0.00 -0.90 -0.69 0.00 0.00 174.62 173.81 3aaq n ASP 65 N 2.53 0.00 -0.31 3.53 5.68 -0.37 -4.90 116.55 122.71 3aaq n ASP 65 Ca -0.17 -0.92 0.13 0.00 -0.50 0.00 0.00 54.79 53.33 3aaq n ASP 65 Cb 0.52 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.12 3aaq n ASP 65 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3aaq n ASP 66 N -2.77 0.96 -0.76 -1.12 5.68 -1.26 -2.24 116.55 115.04 3aaq n ASP 66 Ca 0.00 -1.40 0.13 0.00 -0.50 0.00 0.00 54.79 53.02 3aaq n ASP 66 Cb 0.00 -0.02 0.30 0.00 -1.14 0.00 0.00 41.12 40.26 3aaq n ASP 66 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3aaq n THR 67 N -0.22 0.08 -2.40 2.12 -2.24 -1.26 -4.95 114.28 105.41 3aaq n THR 67 Ca 0.19 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 3aaq n THR 67 Cb 0.25 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 3aaq n THR 67 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3aaq n ASN 68 N 0.81 -2.91 -4.29 3.42 5.15 -0.95 -4.67 115.26 111.82 3aaq n ASN 68 Ca 0.17 -0.07 -0.33 0.00 -0.60 0.00 0.00 54.58 53.75 3aaq n ASN 68 Cb 0.48 -1.96 -0.15 0.00 -0.53 0.00 0.00 39.78 37.62 3aaq n ASN 68 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3aaq s THR 69 N -2.62 2.67 0.35 -0.44 2.01 -1.26 -4.92 115.64 111.44 3aaq s THR 69 Ca 0.07 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 3aaq s THR 69 Cb -0.03 -2.11 -0.12 0.00 0.01 0.00 0.00 72.50 70.25 3aaq s THR 69 CO 0.09 0.53 1.05 -2.65 -0.69 0.00 0.00 174.62 172.94 3aaq n PRO 70 N 3.80 1.47 -4.14 4.92 -0.02 -1.26 -1.24 135.00 138.54 3aaq n PRO 70 Ca -0.19 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 3aaq n PRO 70 Cb 0.52 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 3aaq n PRO 70 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3aaq s ILE 71 N -1.16 0.08 -1.61 4.25 -4.36 0.16 -4.83 121.20 113.74 3aaq s ILE 71 Ca 0.60 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.99 3aaq s ILE 71 Cb -0.62 -2.10 0.11 0.00 1.25 0.00 0.00 42.46 41.09 3aaq s ILE 71 CO 0.59 -0.37 0.64 1.41 0.24 0.00 0.00 174.94 177.45 3aaq n HIS 72 N -0.13 -1.69 -2.09 1.37 8.25 -1.26 -0.65 115.22 119.01 3aaq n HIS 72 Ca -0.04 0.78 -0.43 0.00 -0.26 0.00 0.00 57.72 57.76 3aaq n HIS 72 Cb 0.64 -3.17 -0.03 0.00 1.12 0.00 0.00 29.99 28.55 3aaq n HIS 72 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3aaq s ILE 73 N -3.54 3.67 -0.07 1.59 1.01 -1.26 -4.32 121.20 118.29 3aaq s ILE 73 Ca 0.49 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.95 3aaq s ILE 73 Cb -0.27 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3aaq s ILE 73 CO 0.92 -0.24 -0.20 -1.61 0.00 0.00 0.00 174.94 173.81 3aaq s GLU 74 N 4.57 2.40 -0.31 2.79 0.41 0.39 -4.96 118.70 123.99 3aaq s GLU 74 Ca 0.72 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 54.28 3aaq s GLU 74 Cb -0.26 -1.91 0.01 0.00 -1.78 0.00 0.00 34.13 30.19 3aaq s GLU 74 CO 0.29 0.18 1.05 -2.00 -0.49 0.00 0.00 175.26 174.29 3aaq s GLU 75 N 0.30 4.08 -0.03 1.61 2.12 -1.26 -0.45 118.70 125.07 3aaq s GLU 75 Ca -0.13 1.07 0.20 0.00 0.36 0.00 0.00 54.97 56.47 3aaq s GLU 75 Cb -0.16 -3.72 -0.31 0.00 0.26 0.00 0.00 34.13 30.20 3aaq s GLU 75 CO 0.06 -0.85 0.42 0.44 -0.54 0.00 0.00 175.26 174.79 3aaq n ILE 76 N 5.77 0.05 -3.76 -3.70 -5.35 0.58 -4.97 119.36 107.99 3aaq n ILE 76 Ca 0.11 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 62.01 3aaq n ILE 76 Cb 0.47 0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.32 3aaq n ILE 76 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3aaq s TRP 77 N -3.35 -0.09 -0.26 4.28 -0.00 -1.17 -5.01 118.94 113.35 3aaq s TRP 77 Ca -0.07 -0.09 -0.20 0.00 -0.00 0.00 0.00 56.10 55.74 3aaq s TRP 77 Cb 0.12 0.09 0.07 0.00 -0.00 0.00 0.00 33.47 33.76 3aaq s TRP 77 CO 0.83 -0.52 0.67 1.21 -0.00 0.00 0.00 176.95 179.14 3aaq s ASN 78 N -2.18 -0.81 -0.08 5.86 3.84 -1.26 -1.70 114.94 118.62 3aaq s ASN 78 Ca -0.04 1.42 -0.05 0.00 0.21 0.00 0.00 52.86 54.40 3aaq s ASN 78 Cb -0.00 1.36 0.03 0.00 -0.55 0.00 0.00 41.25 42.09 3aaq s ASN 78 CO -0.05 -0.24 0.18 -0.75 -2.79 0.00 0.00 177.10 173.46 3aaq s LYS 79 N 0.98 0.17 -0.07 0.43 2.47 -0.71 -4.98 119.74 118.03 3aaq s LYS 79 Ca -0.05 0.36 0.02 0.00 -1.56 0.00 0.00 55.97 54.74 3aaq s LYS 79 Cb -0.05 -0.05 0.01 0.00 -1.46 0.00 0.00 37.83 36.29 3aaq s LYS 79 CO -0.09 -0.10 -0.12 0.21 0.16 0.00 0.00 175.35 175.40 3aaq s LYS 80 N 0.74 1.72 0.07 4.03 2.47 -1.26 -0.24 119.74 127.26 3aaq s LYS 80 Ca -0.05 -0.41 0.06 0.00 -1.56 0.00 0.00 55.97 54.00 3aaq s LYS 80 Cb -0.07 -1.44 -0.03 0.00 -1.46 0.00 0.00 37.83 34.83 3aaq s LYS 80 CO -0.04 0.01 -0.16 -1.50 0.16 0.00 0.00 175.35 173.82 3aaq s ILE 81 N 0.72 1.30 0.27 5.43 2.07 -0.06 -4.99 121.20 125.94 3aaq s ILE 81 Ca -0.13 -1.27 0.12 0.00 -1.41 0.00 0.00 60.65 57.95 3aaq s ILE 81 Cb -0.16 -1.20 -0.05 0.00 0.13 0.00 0.00 42.46 41.19 3aaq s ILE 81 CO 0.03 -0.09 -0.18 -0.54 -1.91 0.00 0.00 174.94 172.25 3aaq s LYS 82 N -1.57 1.72 0.00 3.50 1.02 -1.26 -0.92 119.74 122.24 3aaq s LYS 82 Ca 0.02 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.31 3aaq s LYS 82 Cb -0.09 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 3aaq s LYS 82 CO 0.02 0.34 0.00 -0.35 -0.92 0.00 0.00 175.35 174.45 3aaq n PRO 83 N -0.52 1.07 -1.66 -1.68 -0.04 -1.26 -5.00 135.00 125.91 3aaq n PRO 83 Ca -0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 3aaq n PRO 83 Cb 0.59 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.11 3aaq n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3aaq s GLY 84 N -1.58 2.24 0.22 0.55 0.00 -1.17 -4.24 107.32 103.34 3aaq s GLY 84 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 44.72 45.32 3aaq s GLY 84 CO 0.00 1.04 1.74 -2.75 0.00 0.00 0.00 173.10 173.13 3aaq h PHE 85 N -0.05 0.43 0.00 1.90 3.57 -1.85 -1.14 116.94 119.80 3aaq h PHE 85 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3aaq h PHE 85 Cb 1.26 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3aaq h PHE 85 CO 0.52 0.08 0.00 0.00 -2.23 0.00 0.00 178.31 176.68 3aaq n ALA 86 N -2.50 1.84 1.02 2.41 0.00 -1.26 -2.21 120.51 119.82 3aaq n ALA 86 Ca 0.11 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3aaq n ALA 86 Cb 0.34 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.53 3aaq n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3aaq n SER 87 N -1.36 1.70 -4.94 0.00 7.64 -0.44 -4.96 113.62 111.27 3aaq n SER 87 Ca 0.06 -1.33 -0.25 0.00 1.01 0.00 0.00 58.87 58.36 3aaq n SER 87 Cb 0.15 0.56 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 3aaq n SER 87 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3aaq s ILE 88 N -2.60 5.20 0.14 0.44 -4.36 -0.94 -4.98 121.20 114.10 3aaq s ILE 88 Ca 0.17 -0.55 -0.31 0.00 -0.26 0.00 0.00 60.65 59.70 3aaq s ILE 88 Cb 0.18 -3.80 -0.09 0.00 1.25 0.00 0.00 42.46 40.00 3aaq s ILE 88 CO 0.63 -0.31 1.52 -1.58 0.24 0.00 0.00 174.94 175.45 3aaq s GLN 89 N -3.73 4.24 -1.37 0.37 0.74 -1.26 -4.90 119.66 113.75 3aaq s GLN 89 Ca 0.38 2.28 -0.13 0.00 0.05 0.00 0.00 55.36 57.93 3aaq s GLN 89 Cb -0.10 -3.21 0.09 0.00 1.10 0.00 0.00 33.01 30.89 3aaq s GLN 89 CO 0.31 -0.57 2.01 -0.35 -0.55 0.00 0.00 175.29 176.14 3aaq n PRO 90 N 4.08 3.15 -4.41 1.67 -0.04 -1.26 -4.36 135.00 133.83 3aaq n PRO 90 Ca 0.13 -3.03 -0.20 0.00 -0.04 0.00 0.00 63.50 60.36 3aaq n PRO 90 Cb 0.40 -3.20 -0.10 0.00 -0.04 0.00 0.00 33.50 30.55 3aaq n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3aaq s ASN 91 N 2.66 2.09 0.16 3.54 2.20 -1.26 -4.77 114.94 119.57 3aaq s ASN 91 Ca 0.46 -1.34 -0.15 0.00 -0.94 0.00 0.00 52.86 50.88 3aaq s ASN 91 Cb 0.10 -0.03 0.03 0.00 -2.00 0.00 0.00 41.25 39.36 3aaq s ASN 91 CO -0.03 -0.60 1.81 0.28 -2.94 0.00 0.00 177.10 175.62 3aaq h SER 92 N 2.23 0.53 -0.41 3.54 0.02 -1.96 -1.45 113.55 116.06 3aaq h SER 92 Ca -0.40 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3aaq h SER 92 Cb 1.24 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 3aaq h SER 92 CO 0.67 0.40 0.24 -0.37 -1.14 0.00 0.00 176.83 176.63 3aaq h VAL 93 N 0.61 1.13 -0.08 2.27 -1.51 -1.98 0.16 116.25 116.86 3aaq h VAL 93 Ca 0.17 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 65.31 3aaq h VAL 93 Cb -0.05 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 29.71 3aaq h VAL 93 CO -0.03 0.14 -0.01 0.74 -1.23 0.00 0.00 177.57 177.17 3aaq h THR 94 N 0.54 1.28 -0.60 7.19 2.02 -1.81 -1.05 112.91 120.48 3aaq h THR 94 Ca 0.15 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3aaq h THR 94 Cb 0.01 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3aaq h THR 94 CO -0.03 0.25 0.32 0.40 0.37 0.00 0.00 175.52 176.83 3aaq h ILE 95 N -0.18 1.20 -0.20 3.11 1.08 -1.19 -1.09 117.51 120.24 3aaq h ILE 95 Ca 0.02 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3aaq h ILE 95 Cb 0.40 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 3aaq h ILE 95 CO 0.01 0.22 0.13 -0.78 -0.69 0.00 0.00 178.15 177.03 3aaq h ASP 96 N 0.82 0.21 -0.33 1.72 3.58 -0.69 -0.00 116.42 121.73 3aaq h ASP 96 Ca 0.21 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.70 3aaq h ASP 96 Cb 0.06 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 3aaq h ASP 96 CO -0.03 0.16 0.06 0.00 -2.88 0.00 0.00 179.24 176.54 3aaq h ALA 97 N 1.08 0.34 0.35 -0.78 0.00 -0.87 -1.24 119.26 118.13 3aaq h ALA 97 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3aaq h ALA 97 Cb -0.02 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3aaq h ALA 97 CO -0.02 -0.35 -0.19 -0.92 0.00 0.00 0.00 179.25 177.77 3aaq h TYR 98 N 0.17 -0.50 -0.01 0.00 3.20 -1.00 -1.66 116.97 117.17 3aaq h TYR 98 Ca 0.15 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 3aaq h TYR 98 Cb 0.17 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3aaq h TYR 98 CO -0.18 -0.30 -0.53 -0.07 -1.64 0.00 0.00 178.16 175.44 3aaq h LEU 99 N -0.51 0.04 -0.07 2.82 3.38 -0.97 -1.93 115.31 118.07 3aaq h LEU 99 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3aaq h LEU 99 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3aaq h LEU 99 CO 0.06 0.56 0.01 0.74 0.09 0.00 0.00 178.44 179.89 3aaq h THR 100 N 0.03 1.23 -0.71 0.22 2.02 -1.18 0.16 112.91 114.69 3aaq h THR 100 Ca -0.00 -0.72 0.10 0.00 0.77 0.00 0.00 66.41 66.55 3aaq h THR 100 Cb 0.94 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 3aaq h THR 100 CO 0.07 0.20 0.47 -0.03 0.37 0.00 0.00 175.52 176.60 3aaq h MET 101 N -0.14 0.56 0.04 6.66 1.85 -1.17 -0.67 114.93 122.06 3aaq h MET 101 Ca 0.02 -0.03 -0.26 0.00 -0.61 0.00 0.00 59.70 58.82 3aaq h MET 101 Cb 0.31 -0.13 0.02 0.00 0.43 0.00 0.00 31.60 32.23 3aaq h MET 101 CO 0.00 0.37 -1.08 1.25 -0.40 0.00 0.00 176.91 177.05 3aaq h LEU 102 N 0.57 0.74 0.00 3.39 5.85 -1.01 -3.42 115.31 121.43 3aaq h LEU 102 Ca 0.33 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3aaq h LEU 102 Cb 0.52 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3aaq h LEU 102 CO -0.11 1.44 -1.00 0.18 -0.34 0.00 0.00 178.44 178.61 3aaq n LEU 103 N -3.78 0.00 -0.29 2.25 4.77 0.02 -4.80 117.00 115.16 3aaq n LEU 103 Ca -0.10 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.90 3aaq n LEU 103 Cb 0.90 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 42.15 3aaq n LEU 103 CO 0.55 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.76 3aaq h ALA 104 N 0.00 1.15 -0.21 -1.18 0.00 -1.27 -0.34 119.26 117.41 3aaq h ALA 104 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3aaq h ALA 104 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3aaq h ALA 104 CO 0.00 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 3aaq n ASP 105 N -4.70 1.67 -4.74 0.00 5.75 -1.26 -4.90 116.55 108.37 3aaq n ASP 105 Ca 0.13 -2.10 -0.41 0.00 -0.01 0.00 0.00 54.79 52.39 3aaq n ASP 105 Cb 0.23 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 3aaq n ASP 105 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3aaq s ALA 106 N -1.64 3.66 -0.20 2.12 0.00 -0.14 -4.87 121.76 120.68 3aaq s ALA 106 Ca 0.16 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3aaq s ALA 106 Cb 0.10 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.72 3aaq s ALA 106 CO 0.08 -0.76 1.02 -0.35 0.00 0.00 0.00 175.76 175.75 3aaq n PRO 107 N 2.63 1.19 -3.69 0.00 -0.04 -1.26 -4.78 135.00 129.04 3aaq n PRO 107 Ca 0.08 -0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.10 3aaq n PRO 107 Cb 0.40 -1.21 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 3aaq n PRO 107 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3aaq s ILE 108 N -0.51 -0.22 0.16 0.52 1.10 -1.26 -5.15 121.20 115.84 3aaq s ILE 108 Ca 0.06 0.18 0.04 0.00 -0.51 0.00 0.00 60.65 60.42 3aaq s ILE 108 Cb 0.05 -0.48 -0.04 0.00 0.15 0.00 0.00 42.46 42.14 3aaq s ILE 108 CO 0.01 0.07 0.18 -1.00 -2.11 0.00 0.00 174.94 172.10 3aaq s HIS 109 N 1.79 3.26 -1.01 3.50 3.76 -1.26 -4.76 115.29 120.56 3aaq s HIS 109 Ca -0.05 0.03 -0.13 0.00 -0.15 0.00 0.00 55.06 54.75 3aaq s HIS 109 Cb -0.11 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 3aaq s HIS 109 CO -0.10 0.52 0.75 0.09 -0.85 0.00 0.00 174.74 175.15 3aaq n ASN 110 N -0.40 -5.74 -4.19 1.40 3.02 0.15 -5.02 115.26 104.48 3aaq n ASN 110 Ca -0.08 -0.84 -0.26 0.00 -0.03 0.00 0.00 54.58 53.38 3aaq n ASN 110 Cb 0.54 -3.48 -0.15 0.00 -0.61 0.00 0.00 39.78 36.08 3aaq n ASN 110 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3aaq s ILE 111 N -3.30 1.49 0.37 2.41 2.07 -1.18 -4.97 121.20 118.10 3aaq s ILE 111 Ca 0.31 -0.81 -0.27 0.00 -1.41 0.00 0.00 60.65 58.47 3aaq s ILE 111 Cb -0.11 -1.24 -0.10 0.00 0.13 0.00 0.00 42.46 41.14 3aaq s ILE 111 CO 0.84 0.42 1.32 -2.84 -1.91 0.00 0.00 174.94 172.77 3aaq s PRO 112 N -0.42 4.14 -0.06 3.50 0.02 -1.26 -1.85 135.00 139.07 3aaq s PRO 112 Ca 0.07 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.33 3aaq s PRO 112 Cb -0.07 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3aaq s PRO 112 CO -0.01 -0.37 -0.17 0.08 -0.33 0.00 0.00 177.00 176.21 3aaq s VAL 113 N -1.20 1.43 -0.20 3.83 1.01 -0.01 -1.03 120.40 124.23 3aaq s VAL 113 Ca 0.53 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 3aaq s VAL 113 Cb -0.39 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3aaq s VAL 113 CO 0.51 0.42 0.02 -0.31 0.00 0.00 0.00 175.10 175.74 3aaq s TYR 114 N 0.28 3.07 -0.36 5.22 2.02 -0.06 -0.38 117.35 127.14 3aaq s TYR 114 Ca -0.10 -0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 3aaq s TYR 114 Cb -0.14 -2.10 0.05 0.00 -0.40 0.00 0.00 41.96 39.37 3aaq s TYR 114 CO 0.04 -0.19 0.15 0.12 -1.57 0.00 0.00 175.55 174.10 3aaq s PHE 115 N 0.96 3.28 -0.25 2.71 5.36 0.56 -0.03 117.98 130.58 3aaq s PHE 115 Ca 0.02 -1.42 0.02 0.00 -0.96 0.00 0.00 56.93 54.60 3aaq s PHE 115 Cb -0.14 -2.47 0.06 0.00 -0.34 0.00 0.00 43.02 40.13 3aaq s PHE 115 CO 0.02 -0.75 -0.09 0.71 -1.46 0.00 0.00 175.22 173.65 3aaq s TYR 116 N 1.42 3.04 0.22 10.12 2.02 0.11 -1.19 117.35 133.09 3aaq s TYR 116 Ca 0.00 -2.18 -0.06 0.00 -0.37 0.00 0.00 57.07 54.46 3aaq s TYR 116 Cb -0.20 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.46 3aaq s TYR 116 CO 0.03 -0.85 0.49 0.00 -1.57 0.00 0.00 175.55 173.65 3aaq s ALA 117 N 1.18 3.67 0.00 3.71 0.00 0.06 -1.31 121.76 129.07 3aaq s ALA 117 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3aaq s ALA 117 Cb -0.20 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3aaq s ALA 117 CO -0.05 0.46 0.00 0.25 0.00 0.00 0.00 175.76 176.42 3aaq n THR 118 N -0.38 0.00 0.12 0.00 -2.24 -0.58 -0.87 114.28 110.34 3aaq n THR 118 Ca -0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 3aaq n THR 118 Cb 0.53 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.19 3aaq n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3aaq h ALA 119 N 1.00 1.60 -0.57 6.98 0.00 -1.90 -2.15 119.26 124.22 3aaq h ALA 119 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3aaq h ALA 119 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3aaq h ALA 119 CO 0.00 0.29 0.23 0.78 0.00 0.00 0.00 179.25 180.55 3aaq h GLY 120 N 0.61 0.80 1.97 0.00 0.00 -1.87 -1.77 103.07 102.82 3aaq h GLY 120 Ca 0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 3aaq h GLY 120 CO 0.01 0.02 -0.78 1.98 0.00 0.00 0.00 176.54 177.77 3aaq h MET 121 N 0.43 0.02 -0.15 4.80 -1.53 -1.71 -3.14 114.93 113.66 3aaq h MET 121 Ca 0.28 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.50 3aaq h MET 121 Cb 0.30 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 3aaq h MET 121 CO -0.26 0.79 0.04 0.00 0.14 0.00 0.00 176.91 177.63 3aaq h ARG 122 N 0.01 0.21 0.00 0.39 3.08 -0.97 -1.05 114.38 116.06 3aaq h ARG 122 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3aaq h ARG 122 Cb 1.38 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3aaq h ARG 122 CO 0.10 0.19 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 3aaq n LEU 123 N -4.45 0.00 -4.88 3.04 4.77 -0.76 -4.76 117.00 109.95 3aaq n LEU 123 Ca -0.01 0.48 -0.35 0.00 -0.03 0.00 0.00 56.01 56.10 3aaq n LEU 123 Cb 0.13 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 3aaq n LEU 123 CO 0.35 -0.26 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.22 3aaq s LEU 124 N -2.95 4.35 0.65 2.23 1.43 -0.40 -5.08 118.68 118.91 3aaq s LEU 124 Ca 0.07 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.39 3aaq s LEU 124 Cb 0.09 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 3aaq s LEU 124 CO 0.24 0.33 1.23 -0.81 0.23 0.00 0.00 176.35 177.57 3aaq n PRO 125 N 1.46 1.02 -0.35 1.29 -0.04 -1.26 -4.75 135.00 132.36 3aaq n PRO 125 Ca -0.15 0.41 0.24 0.00 -0.04 0.00 0.00 63.50 63.96 3aaq n PRO 125 Cb 0.54 -2.46 0.50 0.00 -0.04 0.00 0.00 33.50 32.03 3aaq n PRO 125 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3aaq h GLN 126 N 0.43 0.35 -0.01 0.54 5.75 -1.95 -1.26 115.11 118.97 3aaq h GLN 126 Ca -0.50 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 57.82 3aaq h GLN 126 Cb 1.34 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 3aaq h GLN 126 CO 0.52 0.23 -0.71 0.66 -2.65 0.00 0.00 178.83 176.89 3aaq h SER 127 N 0.37 0.05 -0.06 -0.69 4.64 -2.00 -0.92 113.55 114.93 3aaq h SER 127 Ca 0.67 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.90 3aaq h SER 127 Cb 1.67 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3aaq h SER 127 CO -0.42 0.74 -0.20 -0.61 -0.87 0.00 0.00 176.83 175.48 3aaq h GLN 128 N 0.03 0.24 -0.84 4.77 5.75 -1.62 -3.23 115.11 120.21 3aaq h GLN 128 Ca -0.01 -0.18 0.13 0.00 -0.15 0.00 0.00 58.65 58.44 3aaq h GLN 128 Cb 1.25 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.75 3aaq h GLN 128 CO 0.10 0.80 0.45 1.96 -2.65 0.00 0.00 178.83 179.49 3aaq h GLN 129 N -0.27 0.67 -0.89 1.69 4.20 -1.20 -1.23 115.11 118.07 3aaq h GLN 129 Ca -0.01 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.82 3aaq h GLN 129 Cb 0.82 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.38 3aaq h GLN 129 CO 0.04 0.44 0.58 -0.22 -0.67 0.00 0.00 178.83 179.00 3aaq h LYS 130 N 0.69 0.61 -0.50 1.46 3.64 -1.19 -1.65 116.57 119.64 3aaq h LYS 130 Ca 0.44 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 3aaq h LYS 130 Cb 0.54 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3aaq h LYS 130 CO -0.32 0.40 0.16 0.87 -2.27 0.00 0.00 179.45 178.30 3aaq h LYS 131 N 0.63 0.77 -0.12 1.90 1.57 -1.27 -0.24 116.57 119.81 3aaq h LYS 131 Ca 0.46 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3aaq h LYS 131 Cb 0.83 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3aaq h LYS 131 CO -0.21 0.71 0.07 1.88 -0.57 0.00 0.00 179.45 181.33 3aaq h TYR 132 N 0.67 0.16 -0.09 -1.35 0.05 -1.33 -2.72 116.97 112.36 3aaq h TYR 132 Ca 0.16 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.82 3aaq h TYR 132 Cb 0.26 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3aaq h TYR 132 CO 0.01 0.17 -0.49 1.88 -1.05 0.00 0.00 178.16 178.68 3aaq h TYR 133 N 0.11 0.28 -0.16 4.88 0.05 -1.10 0.42 116.97 121.46 3aaq h TYR 133 Ca 0.04 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3aaq h TYR 133 Cb 0.06 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3aaq h TYR 133 CO -0.05 0.68 0.10 -0.44 -1.05 0.00 0.00 178.16 177.40 3aaq h ASP 134 N 0.19 0.18 -0.35 3.88 3.32 -1.04 0.26 116.42 122.86 3aaq h ASP 134 Ca 0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3aaq h ASP 134 Cb 0.93 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3aaq h ASP 134 CO 0.08 0.15 0.13 -0.33 -1.72 0.00 0.00 179.24 177.54 3aaq h GLU 135 N 0.20 0.54 -0.53 3.56 4.39 -1.26 -1.97 114.58 119.51 3aaq h GLU 135 Ca 0.06 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3aaq h GLU 135 Cb -0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3aaq h GLU 135 CO -0.01 0.55 0.00 1.25 -1.16 0.00 0.00 179.01 179.64 3aaq h LEU 136 N 0.42 0.91 -0.53 1.33 6.46 -0.82 0.53 115.31 123.61 3aaq h LEU 136 Ca 0.12 -0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3aaq h LEU 136 Cb 0.22 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 3aaq h LEU 136 CO -0.01 1.00 0.32 -0.33 -0.62 0.00 0.00 178.44 178.80 3aaq h GLU 137 N 0.81 0.72 -0.38 1.25 5.08 -0.44 -1.63 114.58 119.98 3aaq h GLU 137 Ca 0.15 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3aaq h GLU 137 Cb 0.52 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3aaq h GLU 137 CO 0.03 0.52 0.19 -0.92 -1.00 0.00 0.00 179.01 177.82 3aaq h TYR 138 N 0.71 0.54 -0.23 4.33 3.20 -1.00 -2.32 116.97 122.20 3aaq h TYR 138 Ca 0.19 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.09 3aaq h TYR 138 Cb -0.02 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3aaq h TYR 138 CO -0.03 0.45 -0.08 2.35 -1.64 0.00 0.00 178.16 179.21 3aaq h TRP 139 N 0.47 -0.19 -0.26 -3.82 7.01 -0.63 -2.54 115.95 116.00 3aaq h TRP 139 Ca 0.13 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3aaq h TRP 139 Cb 0.11 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3aaq h TRP 139 CO -0.02 -0.13 0.01 0.74 -2.79 0.00 0.00 178.44 176.25 3aaq h PHE 140 N -0.04 0.39 0.00 2.65 -1.00 -1.20 -1.98 116.94 115.76 3aaq h PHE 140 Ca 0.12 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 3aaq h PHE 140 Cb 0.22 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 3aaq h PHE 140 CO -0.26 0.39 -0.01 0.00 -1.61 0.00 0.00 178.31 176.82 3aaq h ARG 141 N 0.37 0.00 -0.00 1.51 3.08 -0.99 -2.09 114.38 116.26 3aaq h ARG 141 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3aaq h ARG 141 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3aaq h ARG 141 CO 0.01 0.01 -0.29 1.04 -1.07 0.00 0.00 179.97 179.67 3aaq n GLN 142 N -3.18 0.52 -4.06 0.04 1.13 -0.75 -4.78 117.38 106.30 3aaq n GLN 142 Ca -0.02 -0.28 -0.33 0.00 -1.94 0.00 0.00 57.00 54.43 3aaq n GLN 142 Cb 0.15 -1.49 -0.15 0.00 0.11 0.00 0.00 30.24 28.85 3aaq n GLN 142 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3aaq s GLN 143 N -2.67 2.90 0.31 -1.09 -1.52 -0.78 -4.98 119.66 111.84 3aaq s GLN 143 Ca 0.21 -0.90 0.22 0.00 -1.95 0.00 0.00 55.36 52.93 3aaq s GLN 143 Cb 0.19 -2.74 0.16 0.00 -0.22 0.00 0.00 33.01 30.40 3aaq s GLN 143 CO 0.57 -0.29 1.33 0.66 -0.25 0.00 0.00 175.29 177.30 3aaq h SER 144 N 7.95 0.00 -0.71 5.90 4.64 -1.86 -3.32 113.55 126.15 3aaq h SER 144 Ca -0.39 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.04 3aaq h SER 144 Cb 1.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 3aaq h SER 144 CO 0.60 0.05 0.47 -0.61 -0.87 0.00 0.00 176.83 176.47 3aaq h GLN 145 N 0.00 0.51 -5.20 4.77 4.15 -1.94 -3.40 115.11 114.00 3aaq h GLN 145 Ca -0.01 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.72 3aaq h GLN 145 Cb 1.04 -0.12 -0.29 0.00 0.21 0.00 0.00 27.48 28.32 3aaq h GLN 145 CO 0.01 0.34 -0.79 -1.58 -1.93 0.00 0.00 178.83 174.88 3aaq s TRP 146 N -5.50 2.80 -0.60 3.99 0.52 -1.25 0.32 118.94 119.22 3aaq s TRP 146 Ca -0.09 -0.95 -0.11 0.00 0.02 0.00 0.00 56.10 54.97 3aaq s TRP 146 Cb 0.20 -1.90 0.15 0.00 -1.15 0.00 0.00 33.47 30.78 3aaq s TRP 146 CO 0.76 -0.43 0.51 -0.65 0.02 0.00 0.00 176.95 177.16 3aaq s GLN 147 N 0.78 2.91 -0.20 4.98 -0.21 -0.77 -4.84 119.66 122.31 3aaq s GLN 147 Ca -0.05 -2.05 -0.29 0.00 0.02 0.00 0.00 55.36 52.99 3aaq s GLN 147 Cb -0.15 -4.12 -0.04 0.00 1.00 0.00 0.00 33.01 29.70 3aaq s GLN 147 CO 0.01 -1.25 1.82 -1.17 -2.12 0.00 0.00 175.29 172.57 3aaq s LEU 148 N 0.90 3.83 -0.14 2.90 2.96 -1.26 -0.83 118.68 127.04 3aaq s LEU 148 Ca 0.10 1.79 -0.19 0.00 -0.22 0.00 0.00 54.13 55.61 3aaq s LEU 148 Cb -0.22 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.77 3aaq s LEU 148 CO -0.02 -1.43 0.42 0.58 -1.32 0.00 0.00 176.35 174.57 3aaq h VAL 149 N 6.36 1.09 -3.37 1.68 2.07 -1.08 -3.47 116.25 119.53 3aaq h VAL 149 Ca -0.38 -1.90 -0.16 0.00 0.82 0.00 0.00 66.70 65.08 3aaq h VAL 149 Cb 1.19 2.14 -0.23 0.00 -1.52 0.00 0.00 31.29 32.86 3aaq h VAL 149 CO 0.99 0.37 -0.48 -1.61 0.02 0.00 0.00 177.57 176.85 3aaq s GLU 150 N -2.09 0.36 -0.13 1.57 2.02 -1.23 -5.06 118.70 114.14 3aaq s GLU 150 Ca -0.16 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 3aaq s GLU 150 Cb -0.00 0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.41 3aaq s GLU 150 CO 0.48 -0.07 -0.09 0.00 0.02 0.00 0.00 175.26 175.59 3aaq s ALA 151 N -0.64 1.47 0.21 5.21 0.00 -1.25 -0.32 121.76 126.44 3aaq s ALA 151 Ca -0.07 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 3aaq s ALA 151 Cb -0.04 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.15 3aaq s ALA 151 CO 0.01 -0.45 0.75 -1.59 0.00 0.00 0.00 175.76 174.49 3aaq s LYS 152 N 1.65 1.50 -0.40 0.00 -2.85 -0.33 -4.99 119.74 114.32 3aaq s LYS 152 Ca 0.05 -0.77 -0.20 0.00 -1.00 0.00 0.00 55.97 54.05 3aaq s LYS 152 Cb -0.13 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 3aaq s LYS 152 CO -0.09 -0.68 0.60 0.99 0.10 0.00 0.00 175.35 176.27 3aaq s THR 153 N -3.71 4.90 0.48 3.79 2.01 -1.26 -0.76 115.64 121.09 3aaq s THR 153 Ca 0.09 0.24 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 3aaq s THR 153 Cb -0.04 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 3aaq s THR 153 CO 0.01 -0.44 1.04 0.27 -0.69 0.00 0.00 174.62 174.81 3aaq s ILE 154 N 2.65 3.80 0.83 1.82 -4.36 -0.05 -4.90 121.20 120.99 3aaq s ILE 154 Ca 0.21 1.15 -0.11 0.00 -0.26 0.00 0.00 60.65 61.64 3aaq s ILE 154 Cb -0.15 -3.47 0.09 0.00 1.25 0.00 0.00 42.46 40.18 3aaq s ILE 154 CO 0.16 -0.22 1.09 0.42 0.24 0.00 0.00 174.94 176.64 3aaq s THR 155 N -1.96 3.01 0.45 8.37 -4.23 -1.26 -4.77 115.64 115.25 3aaq s THR 155 Ca 0.66 0.33 0.19 0.00 -1.18 0.00 0.00 61.69 61.69 3aaq s THR 155 Cb -0.17 -2.80 0.22 0.00 1.34 0.00 0.00 72.50 71.10 3aaq s THR 155 CO 0.20 -0.43 2.03 1.23 -0.54 0.00 0.00 174.62 177.11 3aaq h GLY 156 N -1.33 0.00 0.94 3.99 0.00 -1.95 -1.89 103.07 102.83 3aaq h GLY 156 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3aaq h GLY 156 CO 0.52 0.00 0.09 3.43 0.00 0.00 0.00 176.54 180.58 3aaq h ASN 157 N 0.00 0.64 -0.16 0.19 2.35 -1.90 0.34 115.58 117.04 3aaq h ASN 157 Ca -0.00 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3aaq h ASN 157 Cb 0.31 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3aaq h ASN 157 CO 0.02 0.72 -0.08 0.44 -1.65 0.00 0.00 177.43 176.88 3aaq h ASP 158 N 0.53 -0.25 -0.67 5.81 3.32 -1.84 -0.60 116.42 122.71 3aaq h ASP 158 Ca 0.13 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3aaq h ASP 158 Cb 0.34 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3aaq h ASP 158 CO 0.00 -0.10 0.34 -0.08 -1.72 0.00 0.00 179.24 177.68 3aaq h GLU 159 N -0.06 0.95 -0.66 3.56 4.81 -1.16 -1.73 114.58 120.30 3aaq h GLU 159 Ca 0.09 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3aaq h GLU 159 Cb 0.19 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3aaq h GLU 159 CO -0.20 0.74 0.34 0.00 -0.73 0.00 0.00 179.01 179.16 3aaq h ALA 160 N 1.16 0.88 0.04 2.92 0.00 -0.51 -0.10 119.26 123.65 3aaq h ALA 160 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3aaq h ALA 160 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3aaq h ALA 160 CO -0.03 -0.02 -0.24 1.25 0.00 0.00 0.00 179.25 180.21 3aaq h LEU 161 N 0.61 -0.69 -0.79 0.00 5.85 -0.54 -1.33 115.31 118.43 3aaq h LEU 161 Ca 0.31 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3aaq h LEU 161 Cb 0.25 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3aaq h LEU 161 CO -0.22 -0.31 0.48 -0.26 -0.34 0.00 0.00 178.44 177.79 3aaq h PHE 162 N -0.39 1.04 -0.11 1.25 0.04 -1.01 -1.51 116.94 116.26 3aaq h PHE 162 Ca 0.05 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.86 3aaq h PHE 162 Cb 0.45 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 3aaq h PHE 162 CO -0.26 0.69 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.40 3aaq h ASP 163 N 1.08 -0.93 -0.46 2.17 3.32 -0.87 0.36 116.42 121.09 3aaq h ASP 163 Ca 0.28 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.50 3aaq h ASP 163 Cb -0.04 0.39 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3aaq h ASP 163 CO -0.05 -0.35 0.24 -0.25 -1.72 0.00 0.00 179.24 177.11 3aaq h TRP 164 N -0.39 0.45 -0.64 4.55 7.01 -0.95 -1.64 115.95 124.34 3aaq h TRP 164 Ca 0.09 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 3aaq h TRP 164 Cb 0.53 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 3aaq h TRP 164 CO -0.38 0.24 0.30 -0.07 -2.79 0.00 0.00 178.44 175.74 3aaq h LEU 165 N 0.48 0.85 -0.02 0.65 3.38 -1.04 -1.88 115.31 117.74 3aaq h LEU 165 Ca 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3aaq h LEU 165 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3aaq h LEU 165 CO -0.12 0.75 0.01 0.00 0.09 0.00 0.00 178.44 179.16 3aaq h ALA 166 N 1.14 0.02 0.09 1.53 0.00 -0.68 -0.03 119.26 121.33 3aaq h ALA 166 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3aaq h ALA 166 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3aaq h ALA 166 CO -0.03 -0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.04 3aaq h VAL 167 N -0.11 0.99 -0.01 0.00 2.07 -1.31 -2.06 116.25 115.83 3aaq h VAL 167 Ca 0.01 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3aaq h VAL 167 Cb 0.13 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3aaq h VAL 167 CO -0.00 0.08 -0.19 0.78 0.02 0.00 0.00 177.57 178.26 3aaq h ASN 168 N -0.27 0.01 0.41 0.57 4.21 -1.34 -0.11 115.58 119.06 3aaq h ASN 168 Ca -0.01 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 3aaq h ASN 168 Cb 0.23 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 3aaq h ASN 168 CO 0.02 0.20 -0.20 0.22 -1.29 0.00 0.00 177.43 176.38 3aaq h TYR 169 N 0.01 -0.51 -0.98 1.19 3.20 -0.87 -0.71 116.97 118.30 3aaq h TYR 169 Ca 0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.96 3aaq h TYR 169 Cb 0.34 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 3aaq h TYR 169 CO 0.00 -0.22 0.62 0.87 -1.64 0.00 0.00 178.16 177.79 3aaq h LYS 170 N -0.73 0.98 0.00 1.82 1.79 -0.93 -1.85 116.57 117.65 3aaq h LYS 170 Ca -0.06 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3aaq h LYS 170 Cb 0.52 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3aaq h LYS 170 CO 0.09 0.65 0.00 1.28 -1.08 0.00 0.00 179.45 180.39 3aaq n LEU 171 N -4.57 0.00 -4.11 2.94 4.77 -0.09 -4.91 117.00 111.03 3aaq n LEU 171 Ca 0.17 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.96 3aaq n LEU 171 Cb 0.31 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3aaq n LEU 171 CO 0.29 -0.01 0.02 -0.67 -1.33 0.00 0.00 177.39 175.69 3aaq n ASP 172 N -1.14 -3.82 -0.96 -1.43 2.03 -0.70 -4.89 116.55 105.64 3aaq n ASP 172 Ca 0.18 -0.92 0.12 0.00 0.52 0.00 0.00 54.79 54.69 3aaq n ASP 172 Cb 0.17 -3.10 0.14 0.00 -0.72 0.00 0.00 41.12 37.60 3aaq n ASP 172 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3aaq n THR 173 N -4.46 0.06 0.08 5.18 -2.24 -0.33 -4.58 114.28 108.00 3aaq n THR 173 Ca 0.07 -0.52 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3aaq n THR 173 Cb 0.50 1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 70.07 3aaq n THR 173 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3aaq h LEU 174 N 4.54 0.33 0.00 3.22 3.38 -1.90 -2.62 115.31 122.26 3aaq h LEU 174 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3aaq h LEU 174 Cb 0.97 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3aaq h LEU 174 CO 0.00 1.10 0.00 0.29 0.09 0.00 0.00 178.44 179.92 3aaq n LYS 175 N -3.66 0.69 0.00 1.13 5.02 -1.26 -4.81 118.16 115.27 3aaq n LYS 175 Ca -0.05 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3aaq n LYS 175 Cb 0.84 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3aaq n LYS 175 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3aaq n SER 176 N -1.14 0.00 -4.37 4.39 7.64 -0.99 -5.10 113.62 114.05 3aaq n SER 176 Ca 0.18 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.65 3aaq n SER 176 Cb 0.17 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.26 3aaq n SER 176 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3aaq s SER 181 N -1.00 5.77 -0.24 6.43 0.15 -1.26 -5.04 113.70 118.52 3aaq s SER 181 Ca 0.00 -1.08 -0.09 0.00 0.70 0.00 0.00 55.95 55.48 3aaq s SER 181 Cb 0.00 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 3aaq s SER 181 CO 0.00 -0.43 0.12 -0.69 1.20 0.00 0.00 173.24 173.44 3aaq s VAL 182 N 1.55 4.92 -0.09 4.45 1.01 -1.26 -0.55 120.40 130.43 3aaq s VAL 182 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 3aaq s VAL 182 Cb -0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3aaq s VAL 182 CO 0.06 0.35 0.11 -0.83 0.00 0.00 0.00 175.10 174.80 3aaq s GLY 183 N 1.18 2.09 -0.04 4.51 0.00 0.59 -4.30 107.32 111.34 3aaq s GLY 183 Ca 0.06 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.14 3aaq s GLY 183 CO 0.05 -0.48 -0.25 0.14 0.00 0.00 0.00 173.10 172.55 3aaq s VAL 184 N -1.06 2.03 -0.11 1.40 1.01 0.05 -0.36 120.40 123.37 3aaq s VAL 184 Ca 0.17 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3aaq s VAL 184 Cb -0.12 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3aaq s VAL 184 CO 0.07 0.57 -0.17 -0.04 0.00 0.00 0.00 175.10 175.52 3aaq s MET 185 N -0.31 2.37 -0.25 2.72 -1.94 0.02 -1.39 119.30 120.52 3aaq s MET 185 Ca 0.01 -0.62 -0.07 0.00 -1.71 0.00 0.00 55.69 53.29 3aaq s MET 185 Cb -0.12 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 3aaq s MET 185 CO 0.02 -0.02 0.07 0.34 -0.01 0.00 0.00 175.02 175.42 3aaq s ASP 186 N 0.85 5.13 -0.80 3.03 2.15 -0.24 -1.06 116.67 125.73 3aaq s ASP 186 Ca -0.09 -0.21 -0.14 0.00 0.43 0.00 0.00 52.55 52.54 3aaq s ASP 186 Cb -0.15 -1.92 0.21 0.00 -0.30 0.00 0.00 42.92 40.75 3aaq s ASP 186 CO 0.00 -0.03 0.75 -0.04 -0.17 0.00 0.00 175.17 175.68 3aaq s MET 187 N 1.60 3.54 0.50 4.34 -1.94 -0.16 -1.25 119.30 125.93 3aaq s MET 187 Ca 0.06 -2.36 0.01 0.00 -1.71 0.00 0.00 55.69 51.70 3aaq s MET 187 Cb -0.15 -4.42 0.10 0.00 2.01 0.00 0.00 34.83 32.36 3aaq s MET 187 CO 0.04 -1.31 0.69 0.41 -0.01 0.00 0.00 175.02 174.84 3aaq n GLY 188 N 4.15 0.96 0.20 -0.03 0.00 -0.82 -0.71 105.19 108.93 3aaq n GLY 188 Ca 0.11 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 3aaq n GLY 188 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3aaq h GLY 189 N -0.32 0.60 0.00 -0.02 0.00 -1.97 -0.95 103.07 100.41 3aaq h GLY 189 Ca -0.23 -0.82 -0.13 0.00 0.00 0.00 0.00 47.33 46.15 3aaq h GLY 189 CO 0.26 0.73 -1.48 0.00 0.00 0.00 0.00 176.54 176.05 3aaq n ALA 190 N -2.54 1.82 -2.33 3.60 0.00 -1.26 -0.51 120.51 119.29 3aaq n ALA 190 Ca -0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.80 3aaq n ALA 190 Cb 0.70 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 20.23 3aaq n ALA 190 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3aaq s SER 191 N -4.26 2.28 0.09 0.00 1.04 -1.26 -0.88 113.70 110.72 3aaq s SER 191 Ca -0.07 -0.99 0.10 0.00 0.48 0.00 0.00 55.95 55.47 3aaq s SER 191 Cb 0.02 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 3aaq s SER 191 CO 0.25 -0.21 -0.25 0.68 0.98 0.00 0.00 173.24 174.68 3aaq s VAL 192 N -2.96 2.31 0.06 5.02 -7.23 -1.00 -1.95 120.40 114.64 3aaq s VAL 192 Ca 0.19 -1.57 0.09 0.00 -1.81 0.00 0.00 61.98 58.88 3aaq s VAL 192 Cb -0.00 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3aaq s VAL 192 CO 0.04 0.20 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.69 3aaq s GLN 193 N -1.74 1.60 0.02 4.82 1.11 -0.38 -0.34 119.66 124.75 3aaq s GLN 193 Ca 0.14 -1.09 0.02 0.00 0.01 0.00 0.00 55.36 54.44 3aaq s GLN 193 Cb -0.10 -1.79 -0.02 0.00 -1.01 0.00 0.00 33.01 30.09 3aaq s GLN 193 CO 0.05 0.46 -0.07 -1.50 0.01 0.00 0.00 175.29 174.23 3aaq s ILE 194 N -0.85 0.54 -0.28 1.08 2.07 0.21 -1.08 121.20 122.89 3aaq s ILE 194 Ca 0.10 -0.75 -0.18 0.00 -1.41 0.00 0.00 60.65 58.42 3aaq s ILE 194 Cb -0.10 -0.55 0.09 0.00 0.13 0.00 0.00 42.46 42.04 3aaq s ILE 194 CO 0.02 -0.16 0.74 0.54 -1.91 0.00 0.00 174.94 174.18 3aaq s VAL 195 N -0.86 0.00 0.03 4.00 0.11 -0.48 -0.93 120.40 122.27 3aaq s VAL 195 Ca -0.04 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.79 3aaq s VAL 195 Cb -0.07 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 3aaq s VAL 195 CO 0.00 0.00 0.49 0.72 -3.33 0.00 0.00 175.10 172.98 3aaq s PHE 196 N 1.37 -0.38 0.35 1.54 -0.12 -0.81 -0.77 117.98 119.16 3aaq s PHE 196 Ca -0.08 0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 56.98 3aaq s PHE 196 Cb -0.05 0.29 -0.11 0.00 -0.63 0.00 0.00 43.02 42.52 3aaq s PHE 196 CO -0.16 -0.59 1.52 -2.30 -0.05 0.00 0.00 175.22 173.65 3aaq n PRO 197 N 0.60 2.70 -3.66 1.99 -0.02 -1.26 -0.85 135.00 134.50 3aaq n PRO 197 Ca -0.19 0.95 -0.07 0.00 -2.02 0.00 0.00 63.50 62.17 3aaq n PRO 197 Cb 0.59 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 3aaq n PRO 197 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3aaq s MET 198 N -1.65 0.57 0.43 -0.52 1.75 -0.82 -4.76 119.30 114.30 3aaq s MET 198 Ca 0.56 1.14 -0.25 0.00 -1.25 0.00 0.00 55.69 55.89 3aaq s MET 198 Cb -0.48 0.25 -0.10 0.00 2.84 0.00 0.00 34.83 37.34 3aaq s MET 198 CO 0.60 -0.17 1.23 -2.30 -0.65 0.00 0.00 175.02 173.72 3aaq n PRO 199 N 4.61 1.81 -1.55 4.11 -0.02 -1.26 -4.23 135.00 138.47 3aaq n PRO 199 Ca -0.18 0.64 -0.52 0.00 -2.02 0.00 0.00 63.50 61.42 3aaq n PRO 199 Cb 0.55 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3aaq n PRO 199 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3aaq n LYS 200 N 0.01 0.77 -3.66 -0.52 4.81 -1.26 -4.95 118.16 113.35 3aaq n LYS 200 Ca 0.07 0.27 -0.27 0.00 -0.87 0.00 0.00 58.31 57.51 3aaq n LYS 200 Cb 0.40 -1.77 -0.16 0.00 0.02 0.00 0.00 35.03 33.51 3aaq n LYS 200 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3aaq s ASN 201 N 0.04 2.86 0.00 3.14 3.84 -1.26 -5.02 114.94 118.55 3aaq s ASN 201 Ca 0.80 -0.86 0.13 0.00 0.21 0.00 0.00 52.86 53.13 3aaq s ASN 201 Cb -0.99 -0.45 0.60 0.00 -0.55 0.00 0.00 41.25 39.85 3aaq s ASN 201 CO 0.52 -0.35 1.36 0.00 -2.79 0.00 0.00 177.10 175.84 3aaq n ALA 202 N 5.15 1.67 -0.29 1.71 0.00 -1.26 -1.88 120.51 125.61 3aaq n ALA 202 Ca -0.07 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.43 3aaq n ALA 202 Cb 0.47 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 19.03 3aaq n ALA 202 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3aaq n GLU 203 N -1.38 2.68 -4.87 0.00 1.02 -1.26 -4.91 120.64 111.92 3aaq n GLU 203 Ca 0.05 -2.59 -0.32 0.00 -0.02 0.00 0.00 57.16 54.28 3aaq n GLU 203 Cb 0.12 -1.56 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 3aaq n GLU 203 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3aaq s ILE 204 N -1.06 2.77 0.22 -3.67 -1.09 -0.79 -5.09 121.20 112.49 3aaq s ILE 204 Ca 0.48 -0.99 -0.32 0.00 -2.23 0.00 0.00 60.65 57.60 3aaq s ILE 204 Cb 0.25 -2.10 -0.14 0.00 -1.58 0.00 0.00 42.46 38.89 3aaq s ILE 204 CO 0.32 0.48 1.26 -0.24 -1.23 0.00 0.00 174.94 175.53 3aaq n SER 205 N 2.01 1.97 -0.02 3.58 2.88 -1.26 -4.85 113.62 117.94 3aaq n SER 205 Ca -0.16 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.65 3aaq n SER 205 Cb 0.52 -1.32 0.55 0.00 -0.75 0.00 0.00 64.21 63.21 3aaq n SER 205 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3aaq h LYS 206 N 3.58 0.28 0.00 -1.46 -0.00 -1.92 -0.83 116.57 116.22 3aaq h LYS 206 Ca -0.44 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.18 3aaq h LYS 206 Cb 1.31 -0.06 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3aaq h LYS 206 CO 0.71 0.19 -0.10 0.45 -0.00 0.00 0.00 179.45 180.70 3aaq h HIS 207 N 0.29 0.00 -0.47 0.07 3.86 -1.98 -2.72 115.15 114.20 3aaq h HIS 207 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3aaq h HIS 207 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 3aaq h HIS 207 CO -0.00 0.10 0.00 0.09 0.86 0.00 0.00 177.93 178.98 3aaq n ASN 208 N -4.11 3.50 -3.97 2.45 4.13 -0.32 -4.89 115.26 112.06 3aaq n ASN 208 Ca -0.03 -2.30 -0.16 0.00 1.68 0.00 0.00 54.58 53.77 3aaq n ASN 208 Cb 0.18 -0.48 -0.14 0.00 -1.54 0.00 0.00 39.78 37.80 3aaq n ASN 208 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3aaq s GLN 209 N -1.73 0.46 -0.04 3.52 -0.21 -1.03 -1.01 119.66 119.62 3aaq s GLN 209 Ca 0.37 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.56 3aaq s GLN 209 Cb 0.23 -0.44 0.01 0.00 1.00 0.00 0.00 33.01 33.81 3aaq s GLN 209 CO 0.18 0.12 -0.12 0.08 -2.12 0.00 0.00 175.29 173.43 3aaq s VAL 210 N -0.15 1.02 -0.18 1.09 1.01 -0.22 -4.92 120.40 118.04 3aaq s VAL 210 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3aaq s VAL 210 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3aaq s VAL 210 CO -0.00 0.31 -0.03 -1.61 0.00 0.00 0.00 175.10 173.77 3aaq s GLU 211 N 0.31 3.59 0.08 2.72 2.02 -1.26 -0.34 118.70 125.82 3aaq s GLU 211 Ca -0.07 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 3aaq s GLU 211 Cb -0.11 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 3aaq s GLU 211 CO 0.02 0.08 0.02 -0.48 0.02 0.00 0.00 175.26 174.91 3aaq s LEU 212 N 0.80 2.14 -0.18 1.80 -0.00 -0.31 -4.99 118.68 117.94 3aaq s LEU 212 Ca -0.01 -1.04 0.01 0.00 -0.00 0.00 0.00 54.13 53.08 3aaq s LEU 212 Cb -0.14 0.32 0.02 0.00 -0.00 0.00 0.00 46.19 46.38 3aaq s LEU 212 CO 0.02 -0.66 -0.19 0.21 -0.00 0.00 0.00 176.35 175.73 3aaq s ASN 213 N -2.96 3.24 -0.05 1.48 3.84 -1.26 0.95 114.94 120.18 3aaq s ASN 213 Ca 0.13 -0.62 0.03 0.00 0.21 0.00 0.00 52.86 52.60 3aaq s ASN 213 Cb 0.07 -1.50 0.01 0.00 -0.55 0.00 0.00 41.25 39.28 3aaq s ASN 213 CO -0.06 0.00 -0.12 -0.51 -2.79 0.00 0.00 177.10 173.62 3aaq s ILE 214 N 1.30 1.06 -1.70 -5.21 1.10 0.31 -4.72 121.20 113.33 3aaq s ILE 214 Ca 0.05 -0.47 -0.15 0.00 -0.51 0.00 0.00 60.65 59.57 3aaq s ILE 214 Cb -0.13 -0.95 0.14 0.00 0.15 0.00 0.00 42.46 41.66 3aaq s ILE 214 CO -0.12 0.33 0.54 -1.22 -2.11 0.00 0.00 174.94 172.36 3aaq n TYR 215 N 3.56 -1.46 -0.62 3.50 4.01 -1.26 -1.04 117.16 123.84 3aaq n TYR 215 Ca -0.21 0.72 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 3aaq n TYR 215 Cb 0.53 -2.68 0.00 0.00 -0.31 0.00 0.00 39.34 36.88 3aaq n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3aaq n GLY 216 N -1.58 1.19 3.46 2.72 0.00 -1.26 -4.98 105.19 104.75 3aaq n GLY 216 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3aaq n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aaq s GLN 217 N -0.22 3.33 0.12 1.61 -0.21 -0.21 -5.08 119.66 119.01 3aaq s GLN 217 Ca 0.00 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.48 3aaq s GLN 217 Cb 0.00 -2.72 -0.07 0.00 1.00 0.00 0.00 33.01 31.22 3aaq s GLN 217 CO 0.00 0.33 1.26 -0.80 -2.12 0.00 0.00 175.29 173.96 3aaq s ASN 218 N 0.09 6.99 -0.03 5.90 0.01 -1.26 -0.53 114.94 126.10 3aaq s ASN 218 Ca -0.03 2.19 0.03 0.00 -0.71 0.00 0.00 52.86 54.34 3aaq s ASN 218 Cb -0.14 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.93 3aaq s ASN 218 CO 0.04 -0.50 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.38 3aaq s ILE 219 N 0.70 1.01 -0.08 0.60 -1.09 0.27 -4.97 121.20 117.63 3aaq s ILE 219 Ca 0.59 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 3aaq s ILE 219 Cb -0.33 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.65 3aaq s ILE 219 CO 0.32 0.30 -0.18 0.21 -1.23 0.00 0.00 174.94 174.37 3aaq s ASN 220 N 0.16 3.69 -0.00 3.58 2.47 -1.26 -1.16 114.94 122.42 3aaq s ASN 220 Ca -0.04 -0.36 0.08 0.00 0.42 0.00 0.00 52.86 52.96 3aaq s ASN 220 Cb -0.10 -1.17 -0.02 0.00 -1.45 0.00 0.00 41.25 38.52 3aaq s ASN 220 CO 0.01 0.24 -0.24 -0.76 -3.72 0.00 0.00 177.10 172.63 3aaq s LEU 221 N -0.10 2.08 -0.06 3.21 1.43 0.54 -1.94 118.68 123.85 3aaq s LEU 221 Ca -0.03 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 3aaq s LEU 221 Cb -0.14 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3aaq s LEU 221 CO 0.04 0.28 0.69 -0.47 0.23 0.00 0.00 176.35 177.12 3aaq s TYR 222 N -0.63 3.59 -0.03 0.29 5.04 -0.03 -1.06 117.35 124.53 3aaq s TYR 222 Ca 0.10 1.25 0.04 0.00 -2.44 0.00 0.00 57.07 56.02 3aaq s TYR 222 Cb -0.09 -2.78 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 3aaq s TYR 222 CO -0.00 0.12 -0.16 0.14 -1.34 0.00 0.00 175.55 174.31 3aaq s VAL 223 N 0.68 1.31 -0.14 3.14 -7.23 -0.18 -1.93 120.40 116.05 3aaq s VAL 223 Ca 0.37 -0.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.73 3aaq s VAL 223 Cb -0.18 -1.12 0.04 0.00 0.56 0.00 0.00 36.38 35.68 3aaq s VAL 223 CO 0.18 0.38 0.38 -2.28 -0.31 0.00 0.00 175.10 173.45 3aaq s HIS 224 N -0.11 -0.43 -0.04 2.82 2.46 -0.10 -4.48 115.29 115.41 3aaq s HIS 224 Ca 0.00 1.04 0.04 0.00 0.47 0.00 0.00 55.06 56.61 3aaq s HIS 224 Cb -0.09 0.15 -0.00 0.00 -0.13 0.00 0.00 32.58 32.51 3aaq s HIS 224 CO 0.01 -0.21 -0.14 0.45 -2.47 0.00 0.00 174.74 172.37 3aaq s SER 225 N 0.32 1.81 -0.42 9.88 0.15 -1.26 -0.62 113.70 123.56 3aaq s SER 225 Ca -0.01 -0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 3aaq s SER 225 Cb -0.03 -0.49 0.11 0.00 -1.71 0.00 0.00 66.02 63.90 3aaq s SER 225 CO -0.01 0.12 0.22 -0.36 1.20 0.00 0.00 173.24 174.42 3aaq s PHE 226 N 0.09 3.57 -0.07 3.44 0.08 0.54 -4.94 117.98 120.69 3aaq s PHE 226 Ca -0.03 -2.35 -0.30 0.00 0.12 0.00 0.00 56.93 54.37 3aaq s PHE 226 Cb -0.10 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 3aaq s PHE 226 CO 0.01 -0.98 1.23 -1.17 -0.10 0.00 0.00 175.22 174.22 3aaq s LEU 227 N 1.17 4.26 0.00 -0.37 2.96 -1.26 -2.37 118.68 123.06 3aaq s LEU 227 Ca 0.08 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 3aaq s LEU 227 Cb -0.23 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3aaq s LEU 227 CO -0.04 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 174.97 3aaq n GLY 228 N 3.44 2.87 0.71 7.98 0.00 -0.06 -4.91 105.19 115.21 3aaq n GLY 228 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3aaq n GLY 228 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3aaq n LEU 229 N 0.00 2.20 -4.68 0.99 4.77 -1.07 -2.86 117.00 116.35 3aaq n LEU 229 Ca 0.00 -0.77 -0.32 0.00 -0.03 0.00 0.00 56.01 54.89 3aaq n LEU 229 Cb 0.00 -0.03 0.15 0.00 -2.33 0.00 0.00 43.42 41.21 3aaq n LEU 229 CO 0.00 0.39 0.73 -0.83 -1.33 0.00 0.00 177.39 176.34 3aaq s GLY 230 N -1.92 1.94 0.21 -0.72 0.00 -0.31 -4.61 107.32 101.90 3aaq s GLY 230 Ca 0.34 0.74 -0.06 0.00 0.00 0.00 0.00 44.72 45.73 3aaq s GLY 230 CO 0.31 1.16 1.68 0.06 0.00 0.00 0.00 173.10 176.32 3aaq h GLN 231 N -1.38 0.98 0.09 2.90 3.07 -0.74 0.31 115.11 120.34 3aaq h GLN 231 Ca -0.45 -0.30 -0.00 0.00 0.09 0.00 0.00 58.65 57.99 3aaq h GLN 231 Cb 1.28 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.75 3aaq h GLN 231 CO 0.44 0.96 -0.04 1.15 0.09 0.00 0.00 178.83 181.43 3aaq h THR 232 N 0.90 1.07 -0.17 1.86 2.02 -1.04 -0.97 112.91 116.59 3aaq h THR 232 Ca 0.16 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3aaq h THR 232 Cb 0.53 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3aaq h THR 232 CO 0.03 0.14 0.08 -0.33 0.37 0.00 0.00 175.52 175.81 3aaq h GLU 233 N -0.38 0.24 -0.50 6.66 4.39 -1.29 -2.42 114.58 121.27 3aaq h GLU 233 Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3aaq h GLU 233 Cb 0.33 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3aaq h GLU 233 CO 0.02 0.28 0.28 0.00 -1.16 0.00 0.00 179.01 178.43 3aaq h MET 234 N 0.14 0.67 -0.09 2.33 -0.00 -0.78 -2.84 114.93 114.36 3aaq h MET 234 Ca 0.06 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 3aaq h MET 234 Cb 0.12 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.57 3aaq h MET 234 CO -0.01 0.49 -0.07 0.66 -0.00 0.00 0.00 176.91 177.98 3aaq h SER 235 N 0.68 0.12 0.26 -0.10 4.64 -0.65 -1.47 113.55 117.03 3aaq h SER 235 Ca 0.18 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3aaq h SER 235 Cb -0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3aaq h SER 235 CO -0.03 0.22 0.00 1.41 -0.87 0.00 0.00 176.83 177.56 3aaq n HIS 236 N -4.38 0.40 0.84 4.77 -0.00 -1.07 -1.19 115.22 114.60 3aaq n HIS 236 Ca -0.01 0.19 0.12 0.00 -0.00 0.00 0.00 57.72 58.01 3aaq n HIS 236 Cb 0.19 -0.80 0.22 0.00 -0.00 0.00 0.00 29.99 29.60 3aaq n HIS 236 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3aaq n GLN 237 N -1.89 0.11 -0.02 -0.41 1.13 -0.55 -4.50 117.38 111.24 3aaq n GLN 237 Ca 0.01 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3aaq n GLN 237 Cb 0.09 -1.56 0.01 0.00 0.11 0.00 0.00 30.24 28.89 3aaq n GLN 237 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3aaq n PHE 238 N -1.71 0.00 0.32 1.08 3.72 -0.34 -4.78 117.46 115.76 3aaq n PHE 238 Ca 0.05 -0.27 0.21 0.00 -0.05 0.00 0.00 57.45 57.39 3aaq n PHE 238 Cb 0.37 -0.03 1.04 0.00 -0.94 0.00 0.00 39.48 39.92 3aaq n PHE 238 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3aaq h LEU 239 N 0.00 0.00 -3.09 4.37 3.38 -1.74 -2.10 115.31 116.13 3aaq h LEU 239 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3aaq h LEU 239 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3aaq h LEU 239 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 3aaq n ASN 240 N -3.12 3.81 -4.50 -0.43 5.03 -1.26 -4.28 115.26 110.51 3aaq n ASN 240 Ca -0.02 -2.49 -0.43 0.00 0.87 0.00 0.00 54.58 52.52 3aaq n ASN 240 Cb 0.15 -0.44 -0.04 0.00 -1.02 0.00 0.00 39.78 38.42 3aaq n ASN 240 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3aaq s SER 241 N -1.29 6.31 0.50 6.41 0.01 -0.79 -4.94 113.70 119.91 3aaq s SER 241 Ca 0.38 -0.48 0.16 0.00 1.31 0.00 0.00 55.95 57.32 3aaq s SER 241 Cb 0.26 -2.41 1.22 0.00 0.21 0.00 0.00 66.02 65.30 3aaq s SER 241 CO 0.16 -1.19 2.11 -0.65 0.41 0.00 0.00 173.24 174.08 3aaq h PRO 242 N 9.28 0.00 -0.06 12.44 0.11 -1.88 -1.20 132.00 150.68 3aaq h PRO 242 Ca -0.27 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.86 3aaq h PRO 242 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3aaq h PRO 242 CO 1.08 0.06 0.15 0.77 -0.21 0.00 0.00 178.00 179.84 3aaq h SER 243 N 0.00 0.00 -0.18 -2.05 0.02 -1.91 0.21 113.55 109.63 3aaq h SER 243 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3aaq h SER 243 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3aaq h SER 243 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 3aaq s PHE 245 N -1.78 0.97 0.41 0.00 0.08 -1.10 -1.83 117.98 114.74 3aaq s PHE 245 Ca 0.34 -0.55 -0.24 0.00 0.12 0.00 0.00 56.93 56.61 3aaq s PHE 245 Cb 0.21 -0.55 -0.12 0.00 -0.57 0.00 0.00 43.02 41.99 3aaq s PHE 245 CO 0.30 -0.01 0.80 0.00 -0.10 0.00 0.00 175.22 176.21 3aaq n ALA 246 N 1.08 -0.64 -1.61 5.36 0.00 -1.26 -1.12 120.51 122.32 3aaq n ALA 246 Ca -0.20 0.21 -0.52 0.00 0.00 0.00 0.00 53.44 52.93 3aaq n ALA 246 Cb 0.56 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 3aaq n ALA 246 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3aaq n ASN 247 N 0.86 1.84 0.00 0.00 3.02 -0.52 -0.75 115.26 119.71 3aaq n ASN 247 Ca 0.11 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 3aaq n ASN 247 Cb 0.39 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 3aaq n ASN 247 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3aaq n ASP 248 N 2.96 -0.96 -4.72 6.41 8.00 -0.76 0.21 116.55 127.69 3aaq n ASP 248 Ca 0.19 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 3aaq n ASP 248 Cb 0.19 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 3aaq n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3aaq n TYR 249 N -2.19 2.70 -2.52 1.24 9.36 0.08 -4.57 117.16 121.26 3aaq n TYR 249 Ca 0.00 0.16 -0.42 0.00 3.32 0.00 0.00 57.90 60.96 3aaq n TYR 249 Cb 0.03 -2.62 -0.02 0.00 -0.63 0.00 0.00 39.34 36.10 3aaq n TYR 249 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3aaq s PRO 250 N 0.46 3.54 0.52 2.98 0.04 -1.26 0.07 135.00 141.34 3aaq s PRO 250 Ca 0.71 0.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 3aaq s PRO 250 Cb -0.53 -4.01 -0.07 0.00 0.04 0.00 0.00 34.50 29.93 3aaq s PRO 250 CO 0.40 -1.64 1.10 -0.51 0.04 0.00 0.00 177.00 176.39 3aaq s LEU 251 N 5.11 3.80 0.49 -3.56 1.43 0.06 -4.94 118.68 121.07 3aaq s LEU 251 Ca 0.49 2.11 0.24 0.00 -1.03 0.00 0.00 54.13 55.94 3aaq s LEU 251 Cb -0.09 -4.55 1.29 0.00 0.03 0.00 0.00 46.19 42.88 3aaq s LEU 251 CO 0.28 -1.06 1.92 1.55 0.23 0.00 0.00 176.35 179.27 3aaq h PRO 252 N 1.37 0.16 0.00 1.29 0.13 -1.86 -0.90 132.00 132.19 3aaq h PRO 252 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3aaq h PRO 252 Cb 1.25 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3aaq h PRO 252 CO 0.58 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 3aaq n ASP 253 N -4.39 0.00 0.00 1.44 5.75 -1.26 -4.86 116.55 113.23 3aaq n ASP 253 Ca 0.15 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 3aaq n ASP 253 Cb 0.72 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 3aaq n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3aaq n GLY 254 N 0.65 0.80 3.94 6.12 0.00 -0.34 -5.05 105.19 111.31 3aaq n GLY 254 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3aaq n GLY 254 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3aaq s GLU 255 N -0.70 1.78 0.01 1.61 0.41 -1.26 -4.87 118.70 115.69 3aaq s GLU 255 Ca 0.00 -0.43 0.05 0.00 -0.41 0.00 0.00 54.97 54.18 3aaq s GLU 255 Cb 0.00 -2.13 -0.03 0.00 -1.78 0.00 0.00 34.13 30.19 3aaq s GLU 255 CO 0.00 -1.52 -0.13 -1.12 -0.49 0.00 0.00 175.26 171.99 3aaq s SER 256 N -4.63 4.14 0.76 -0.19 0.01 -1.26 -0.76 113.70 111.78 3aaq s SER 256 Ca 0.64 -0.28 -0.15 0.00 1.31 0.00 0.00 55.95 57.47 3aaq s SER 256 Cb -0.08 -0.82 0.04 0.00 0.21 0.00 0.00 66.02 65.37 3aaq s SER 256 CO 0.46 0.28 1.11 0.61 0.41 0.00 0.00 173.24 176.11 3aaq n GLY 257 N 1.67 -0.15 2.67 3.44 0.00 0.11 -4.74 105.19 108.20 3aaq n GLY 257 Ca -0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 3aaq n GLY 257 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3aaq n GLN 258 N -2.57 0.69 -1.90 1.61 7.27 0.71 -1.83 117.38 121.35 3aaq n GLN 258 Ca 0.13 -2.04 -0.40 0.00 0.07 0.00 0.00 57.00 54.76 3aaq n GLN 258 Cb 0.50 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.70 3aaq n GLN 258 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3aaq s GLY 259 N -0.97 2.94 -0.29 1.69 0.00 -0.28 -3.73 107.32 106.69 3aaq s GLY 259 Ca 0.32 1.41 0.03 0.00 0.00 0.00 0.00 44.72 46.48 3aaq s GLY 259 CO -0.19 2.04 0.53 0.21 0.00 0.00 0.00 173.10 175.70 3aaq s ASN 260 N -0.46 -0.95 0.16 1.64 2.47 0.46 -4.21 114.94 114.04 3aaq s ASN 260 Ca 0.56 0.18 -0.17 0.00 0.42 0.00 0.00 52.86 53.85 3aaq s ASN 260 Cb -0.43 1.76 0.07 0.00 -1.45 0.00 0.00 41.25 41.21 3aaq s ASN 260 CO 0.56 -0.31 1.69 0.00 -3.72 0.00 0.00 177.10 175.32 3aaq h ALA 261 N 8.05 0.28 -0.85 1.71 0.00 -1.89 0.56 119.26 127.13 3aaq h ALA 261 Ca -0.08 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3aaq h ALA 261 Cb 1.16 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 3aaq h ALA 261 CO 0.21 -0.43 0.45 -1.35 0.00 0.00 0.00 179.25 178.13 3aaq h PRO 262 N 0.05 0.66 -0.39 0.00 0.11 -1.93 0.69 132.00 131.18 3aaq h PRO 262 Ca 0.17 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 3aaq h PRO 262 Cb 0.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3aaq h PRO 262 CO -0.33 0.43 -0.24 0.77 -0.21 0.00 0.00 178.00 178.43 3aaq h SER 263 N 0.67 0.89 -0.40 -2.05 0.02 -1.68 -2.47 113.55 108.54 3aaq h SER 263 Ca 0.45 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3aaq h SER 263 Cb 0.58 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3aaq h SER 263 CO -0.33 1.12 0.03 0.00 -1.14 0.00 0.00 176.83 176.50 3aaq h LYS 265 N 0.52 0.51 -0.59 0.00 3.64 0.39 -1.93 116.57 119.12 3aaq h LYS 265 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3aaq h LYS 265 Cb 0.43 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3aaq h LYS 265 CO 0.02 0.34 0.38 0.93 -2.27 0.00 0.00 179.45 178.85 3aaq h GLU 266 N 0.53 0.78 -0.47 1.90 5.08 -1.15 0.10 114.58 121.35 3aaq h GLU 266 Ca 0.34 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3aaq h GLU 266 Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3aaq h GLU 266 CO -0.29 0.53 0.31 0.93 -1.00 0.00 0.00 179.01 179.48 3aaq h GLU 267 N 0.80 0.61 -0.60 2.33 5.08 -0.87 -2.48 114.58 119.44 3aaq h GLU 267 Ca 0.21 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3aaq h GLU 267 Cb -0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3aaq h GLU 267 CO -0.04 0.40 0.07 0.28 -1.00 0.00 0.00 179.01 178.72 3aaq h VAL 268 N 0.63 1.26 -0.77 3.13 2.07 -0.93 -2.21 116.25 119.44 3aaq h VAL 268 Ca 0.17 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 66.79 3aaq h VAL 268 Cb -0.07 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3aaq h VAL 268 CO -0.04 0.39 0.51 0.74 0.02 0.00 0.00 177.57 179.19 3aaq h THR 269 N 0.92 0.80 -0.65 2.57 2.02 -0.56 -1.05 112.91 116.97 3aaq h THR 269 Ca 0.18 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.22 3aaq h THR 269 Cb 0.47 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3aaq h THR 269 CO 0.02 0.08 0.43 0.28 0.37 0.00 0.00 175.52 176.70 3aaq h SER 270 N 0.44 0.74 -0.47 4.18 0.02 -0.94 0.60 113.55 118.11 3aaq h SER 270 Ca 0.38 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 3aaq h SER 270 Cb 0.83 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3aaq h SER 270 CO -0.13 0.53 0.12 0.25 -1.14 0.00 0.00 176.83 176.46 3aaq h LEU 271 N 0.87 0.71 -0.30 5.07 5.85 -1.24 -0.38 115.31 125.90 3aaq h LEU 271 Ca 0.24 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3aaq h LEU 271 Cb -0.09 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3aaq h LEU 271 CO -0.06 0.76 0.08 0.24 -0.34 0.00 0.00 178.44 179.11 3aaq h MET 272 N 0.64 0.47 0.00 1.25 2.86 -0.86 -1.67 114.93 117.62 3aaq h MET 272 Ca 0.15 -0.11 -0.39 0.00 -2.06 0.00 0.00 59.70 57.29 3aaq h MET 272 Cb 0.32 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 3aaq h MET 272 CO 0.00 0.54 -2.42 0.09 1.06 0.00 0.00 176.91 176.19 3aaq n ASN 273 N -4.68 2.02 0.02 1.22 3.02 0.16 -1.00 115.26 116.03 3aaq n ASN 273 Ca -0.02 -0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.41 3aaq n ASN 273 Cb 0.18 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.86 3aaq n ASN 273 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3aaq h SER 274 N -0.27 0.63 0.00 6.41 0.02 -1.20 -2.71 113.55 116.43 3aaq h SER 274 Ca -0.58 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 59.95 3aaq h SER 274 Cb 1.77 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 3aaq h SER 274 CO -0.18 1.14 -0.80 0.52 -1.14 0.00 0.00 176.83 176.37 3aaq n VAL 275 N -3.89 1.46 1.23 2.27 0.31 -0.98 -4.60 118.33 114.13 3aaq n VAL 275 Ca -0.05 0.16 0.14 0.00 -0.01 0.00 0.00 64.34 64.58 3aaq n VAL 275 Cb 0.69 -2.35 0.51 0.00 -0.91 0.00 0.00 33.84 31.79 3aaq n VAL 275 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3aaq n HIS 276 N -4.53 0.00 -3.47 3.52 8.25 -0.64 -4.94 115.22 113.40 3aaq n HIS 276 Ca -0.12 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 3aaq n HIS 276 Cb 0.41 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.26 3aaq n HIS 276 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3aaq n LYS 277 N -1.14 -3.47 -0.09 -0.41 5.02 -0.40 -4.87 118.16 112.80 3aaq n LYS 277 Ca 0.11 0.47 -0.06 0.00 -2.02 0.00 0.00 58.31 56.81 3aaq n LYS 277 Cb 0.31 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 3aaq n LYS 277 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3aaq h VAL 278 N -1.07 0.48 -0.29 -0.18 2.07 -1.29 -2.30 116.25 113.66 3aaq h VAL 278 Ca -0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3aaq h VAL 278 Cb 1.30 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3aaq h VAL 278 CO 0.56 0.00 -0.11 -0.55 0.02 0.00 0.00 177.57 177.50 3aaq h ASN 279 N -0.12 -0.37 -0.99 0.57 -1.07 -1.79 0.91 115.58 112.71 3aaq h ASN 279 Ca 0.17 0.10 0.08 0.00 0.07 0.00 0.00 56.30 56.72 3aaq h ASN 279 Cb 0.39 0.22 -0.07 0.00 -2.07 0.00 0.00 38.32 36.79 3aaq h ASN 279 CO -0.42 -0.14 0.63 1.56 0.07 0.00 0.00 177.43 179.14 3aaq h GLN 280 N -0.05 1.08 0.20 4.14 4.20 -1.79 -1.31 115.11 121.57 3aaq h GLN 280 Ca 0.15 -0.06 -0.32 0.00 0.06 0.00 0.00 58.65 58.47 3aaq h GLN 280 Cb 0.27 -0.24 0.02 0.00 0.30 0.00 0.00 27.48 27.83 3aaq h GLN 280 CO -0.33 0.71 -1.49 1.96 -0.67 0.00 0.00 178.83 179.01 3aaq h GLN 281 N 1.11 0.43 0.04 1.46 4.20 -0.99 -3.41 115.11 117.94 3aaq h GLN 281 Ca 0.44 -0.73 -0.37 0.00 0.06 0.00 0.00 58.65 58.06 3aaq h GLN 281 Cb 0.25 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3aaq h GLN 281 CO -0.20 1.34 -2.12 -0.89 -0.67 0.00 0.00 178.83 176.29 3aaq n ILE 282 N -3.62 1.60 -0.26 2.54 2.08 0.28 -4.52 119.36 117.46 3aaq n ILE 282 Ca -0.17 -0.46 -0.04 0.00 0.56 0.00 0.00 62.75 62.64 3aaq n ILE 282 Cb 1.08 -1.72 0.07 0.00 -0.75 0.00 0.00 39.64 38.31 3aaq n ILE 282 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3aaq h GLN 283 N -0.35 0.92 0.00 0.38 4.20 -1.41 -1.70 115.11 117.15 3aaq h GLN 283 Ca -0.51 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.10 3aaq h GLN 283 Cb 1.78 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 3aaq h GLN 283 CO -0.12 0.61 -0.21 -1.35 -0.67 0.00 0.00 178.83 177.09 3aaq h PRO 284 N 0.94 0.00 -0.04 1.46 0.11 -1.79 0.64 132.00 133.32 3aaq h PRO 284 Ca 0.28 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.16 3aaq h PRO 284 Cb -0.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.06 3aaq h PRO 284 CO -0.08 0.21 -0.91 -0.07 -0.21 0.00 0.00 178.00 176.94 3aaq h LEU 285 N 0.00 0.71 -0.39 2.35 3.38 -1.63 -2.90 115.31 116.82 3aaq h LEU 285 Ca -0.00 -0.53 -0.18 0.00 0.09 0.00 0.00 57.88 57.25 3aaq h LEU 285 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3aaq h LEU 285 CO 0.03 1.32 -0.78 -0.07 0.09 0.00 0.00 178.44 179.03 3aaq h LEU 286 N 0.34 0.33 -0.88 1.67 3.38 -1.05 -0.63 115.31 118.46 3aaq h LEU 286 Ca -0.08 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.69 3aaq h LEU 286 Cb 1.54 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 3aaq h LEU 286 CO 0.17 0.99 0.57 0.00 0.09 0.00 0.00 178.44 180.25 3aaq h ALA 287 N 1.00 1.16 0.00 1.53 0.00 -0.90 -2.95 119.26 119.10 3aaq h ALA 287 Ca -0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3aaq h ALA 287 Cb 1.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3aaq h ALA 287 CO 0.12 0.41 -0.80 -0.07 0.00 0.00 0.00 179.25 178.92 3aaq h LEU 288 N 1.10 0.00 -6.12 0.00 3.38 -1.49 -3.39 115.31 108.79 3aaq h LEU 288 Ca 0.35 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.74 3aaq h LEU 288 Cb 0.02 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.36 3aaq h LEU 288 CO -0.12 0.45 -0.77 0.59 0.09 0.00 0.00 178.44 178.68 3aaq n ASN 289 N -3.06 2.53 -4.68 -0.43 3.02 -0.25 -5.10 115.26 107.29 3aaq n ASN 289 Ca -0.02 -3.19 -0.43 0.00 -0.03 0.00 0.00 54.58 50.91 3aaq n ASN 289 Cb 0.74 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 3aaq n ASN 289 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3aaq n PRO 290 N 1.03 2.05 -3.47 3.52 -0.02 -1.15 -4.66 135.00 132.29 3aaq n PRO 290 Ca 0.27 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 62.09 3aaq n PRO 290 Cb 0.45 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3aaq n PRO 290 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3aaq s VAL 291 N -0.80 5.11 -0.00 -1.45 1.01 -1.26 -4.89 120.40 118.12 3aaq s VAL 291 Ca 0.59 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 63.20 3aaq s VAL 291 Cb -0.60 -3.72 -0.32 0.00 0.00 0.00 0.00 36.38 31.74 3aaq s VAL 291 CO 0.59 0.50 0.98 0.78 0.00 0.00 0.00 175.10 177.94 3aaq h ASN 292 N 5.45 0.67 -3.70 3.32 -0.26 -1.20 -3.46 115.58 116.39 3aaq h ASN 292 Ca -0.48 -0.91 -0.37 0.00 -0.56 0.00 0.00 56.30 53.98 3aaq h ASN 292 Cb 1.20 -0.22 -0.31 0.00 -1.06 0.00 0.00 38.32 37.93 3aaq h ASN 292 CO 0.67 1.53 -0.77 -1.61 -1.06 0.00 0.00 177.43 176.19 3aaq s GLU 293 N -2.63 0.64 -0.18 0.81 2.02 -0.97 -5.04 118.70 113.35 3aaq s GLU 293 Ca -0.11 -0.15 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 3aaq s GLU 293 Cb 0.03 -0.65 -0.05 0.00 0.10 0.00 0.00 34.13 33.56 3aaq s GLU 293 CO 0.89 0.02 0.13 -1.58 0.02 0.00 0.00 175.26 174.74 3aaq s TRP 294 N 0.40 3.46 -0.00 1.61 0.52 -1.26 -0.30 118.94 123.36 3aaq s TRP 294 Ca -0.05 0.38 0.08 0.00 0.02 0.00 0.00 56.10 56.53 3aaq s TRP 294 Cb -0.09 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 3aaq s TRP 294 CO -0.00 0.41 -0.26 0.71 0.02 0.00 0.00 176.95 177.83 3aaq s TYR 295 N -0.02 2.35 -0.02 -1.98 2.02 0.52 -1.54 117.35 118.67 3aaq s TYR 295 Ca 0.10 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.44 3aaq s TYR 295 Cb -0.11 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3aaq s TYR 295 CO -0.00 0.02 -0.20 0.45 -1.57 0.00 0.00 175.55 174.25 3aaq s SER 296 N -0.79 2.31 0.32 2.29 0.15 0.37 -0.80 113.70 117.56 3aaq s SER 296 Ca 0.11 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.45 3aaq s SER 296 Cb -0.10 -0.27 -0.06 0.00 -1.71 0.00 0.00 66.02 63.87 3aaq s SER 296 CO -0.00 0.24 0.01 0.27 1.20 0.00 0.00 173.24 174.96 3aaq s ILE 297 N -0.45 1.45 0.00 6.45 -4.36 -0.22 -1.95 121.20 122.13 3aaq s ILE 297 Ca 0.07 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 3aaq s ILE 297 Cb -0.08 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.92 3aaq s ILE 297 CO -0.01 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.68 3aaq n GLY 298 N -0.69 0.70 0.26 6.27 0.00 -1.26 -0.99 105.19 109.48 3aaq n GLY 298 Ca -0.04 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.59 3aaq n GLY 298 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3aaq h GLY 299 N 0.00 0.34 0.40 -0.02 0.00 -1.26 -2.49 103.07 100.04 3aaq h GLY 299 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.23 3aaq h GLY 299 CO 0.00 0.17 0.11 -2.22 0.00 0.00 0.00 176.54 174.59 3aaq h ILE 300 N 0.31 0.75 -0.46 2.60 2.04 -1.82 -1.26 117.51 119.67 3aaq h ILE 300 Ca 0.07 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3aaq h ILE 300 Cb 0.23 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3aaq h ILE 300 CO 0.01 0.05 0.27 -1.28 0.00 0.00 0.00 178.15 177.19 3aaq h SER 301 N 0.25 0.54 -0.07 1.72 0.87 -1.74 0.14 113.55 115.26 3aaq h SER 301 Ca 0.24 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3aaq h SER 301 Cb 0.31 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3aaq h SER 301 CO -0.31 0.43 -0.11 0.78 -0.53 0.00 0.00 176.83 177.09 3aaq h ASN 302 N 0.63 0.22 -0.55 6.23 4.21 -1.43 -3.00 115.58 121.89 3aaq h ASN 302 Ca 0.17 -0.54 -0.04 0.00 1.21 0.00 0.00 56.30 57.09 3aaq h ASN 302 Cb -0.01 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3aaq h ASN 302 CO -0.03 0.72 0.18 0.25 -1.29 0.00 0.00 177.43 177.25 3aaq h LEU 303 N -0.27 0.79 -2.09 1.61 6.46 -0.68 -2.09 115.31 119.04 3aaq h LEU 303 Ca 0.01 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 3aaq h LEU 303 Cb 0.67 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3aaq h LEU 303 CO 0.03 0.78 0.00 0.00 -0.62 0.00 0.00 178.44 178.63 3aaq h ALA 304 N 1.04 1.00 -0.00 1.25 0.00 -0.84 -2.12 119.26 119.59 3aaq h ALA 304 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3aaq h ALA 304 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3aaq h ALA 304 CO -0.01 0.00 -0.73 0.43 0.00 0.00 0.00 179.25 178.94 3aaq n SER 305 N -3.00 0.73 -4.54 0.00 7.64 -0.83 -4.56 113.62 109.07 3aaq n SER 305 Ca -0.01 -0.60 -0.33 0.00 1.01 0.00 0.00 58.87 58.95 3aaq n SER 305 Cb 0.19 0.59 0.14 0.00 -1.01 0.00 0.00 64.21 64.11 3aaq n SER 305 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3aaq n SER 306 N -1.50 -0.83 0.21 6.43 2.88 -0.80 -4.94 113.62 115.08 3aaq n SER 306 Ca 0.05 0.41 0.05 0.00 -1.33 0.00 0.00 58.87 58.05 3aaq n SER 306 Cb 0.33 -1.34 0.44 0.00 -0.75 0.00 0.00 64.21 62.90 3aaq n SER 306 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3aaq h GLN 307 N -1.53 0.00 0.00 -1.46 1.08 -1.92 -3.13 115.11 108.15 3aaq h GLN 307 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3aaq h GLN 307 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 3aaq h GLN 307 CO 0.38 0.30 0.00 -0.07 -0.95 0.00 0.00 178.83 178.50 3aaq h LEU 308 N 0.00 0.00 -9.35 1.46 4.07 -1.92 -3.44 115.31 106.14 3aaq h LEU 308 Ca -0.00 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.28 3aaq h LEU 308 Cb 0.58 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.18 3aaq h LEU 308 CO 0.04 0.00 -0.61 -0.36 -1.08 0.00 0.00 178.44 176.43 3aaq s PHE 309 N -3.19 3.18 -0.28 1.13 0.08 -1.19 -4.99 117.98 112.72 3aaq s PHE 309 Ca 0.08 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.32 3aaq s PHE 309 Cb 0.09 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.82 3aaq s PHE 309 CO 0.60 0.49 -0.05 -1.58 -0.10 0.00 0.00 175.22 174.58 3aaq s HIS 310 N -0.96 3.21 -0.01 0.36 5.65 -1.26 -4.79 115.29 117.50 3aaq s HIS 310 Ca 0.15 -1.94 0.00 0.00 0.25 0.00 0.00 55.06 53.52 3aaq s HIS 310 Cb -0.11 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.26 3aaq s HIS 310 CO 0.05 -0.81 0.00 -0.06 -0.65 0.00 0.00 174.74 173.27 3aaq s PHE 311 N 1.22 0.06 0.26 3.88 0.08 -1.26 -5.07 117.98 117.15 3aaq s PHE 311 Ca -0.05 0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.11 3aaq s PHE 311 Cb -0.19 -0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 3aaq s PHE 311 CO -0.03 -0.03 0.11 -1.21 -0.10 0.00 0.00 175.22 173.96 3aaq s GLU 312 N 0.31 2.62 -1.35 0.44 8.01 -1.26 -4.69 118.70 122.78 3aaq s GLU 312 Ca -0.03 -1.24 0.00 0.00 0.01 0.00 0.00 54.97 53.72 3aaq s GLU 312 Cb -0.04 -2.37 0.00 0.00 -4.31 0.00 0.00 34.13 27.41 3aaq s GLU 312 CO -0.01 0.37 0.00 0.09 0.01 0.00 0.00 175.26 175.72 3aaq n ASN 313 N -1.06 -4.49 -3.96 -0.19 3.02 -1.26 -2.50 115.26 104.82 3aaq n ASN 313 Ca -0.07 0.22 -0.27 0.00 -0.03 0.00 0.00 54.58 54.43 3aaq n ASN 313 Cb 0.59 -3.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.39 3aaq n ASN 313 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3aaq n SER 314 N -0.32 -0.84 -3.83 6.41 7.64 -1.26 -4.91 113.62 116.51 3aaq n SER 314 Ca -0.14 -1.04 -0.09 0.00 1.01 0.00 0.00 58.87 58.60 3aaq n SER 314 Cb 0.50 -2.91 -0.06 0.00 -1.01 0.00 0.00 64.21 60.73 3aaq n SER 314 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3aaq s GLU 315 N -6.60 1.06 0.26 1.43 -1.05 -1.04 -1.36 118.70 111.40 3aaq s GLU 315 Ca 0.07 -0.96 -0.11 0.00 -0.15 0.00 0.00 54.97 53.82 3aaq s GLU 315 Cb -0.03 0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 34.06 3aaq s GLU 315 CO 0.90 -0.39 0.46 -0.48 0.95 0.00 0.00 175.26 176.70 3aaq s LEU 316 N -2.88 0.47 0.21 1.83 0.05 -0.26 -4.15 118.68 113.94 3aaq s LEU 316 Ca 0.09 -1.05 0.11 0.00 0.05 0.00 0.00 54.13 53.33 3aaq s LEU 316 Cb 0.03 1.64 -0.05 0.00 -2.05 0.00 0.00 46.19 45.77 3aaq s LEU 316 CO -0.07 -1.15 -0.21 0.42 -0.55 0.00 0.00 176.35 174.79 3aaq s THR 317 N -3.85 2.25 0.28 5.48 -4.23 -1.26 0.15 115.64 114.45 3aaq s THR 317 Ca 0.25 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3aaq s THR 317 Cb -0.00 -2.11 0.12 0.00 1.34 0.00 0.00 72.50 71.85 3aaq s THR 317 CO 0.11 -0.26 1.78 0.78 -0.54 0.00 0.00 174.62 176.49 3aaq h ASN 318 N 2.94 0.64 -0.22 3.99 4.21 -1.63 -1.49 115.58 124.02 3aaq h ASN 318 Ca -0.43 -0.16 -0.00 0.00 1.21 0.00 0.00 56.30 56.92 3aaq h ASN 318 Cb 1.22 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 3aaq h ASN 318 CO 0.52 0.74 0.13 -0.61 -1.29 0.00 0.00 177.43 176.93 3aaq h GLN 319 N 0.62 0.30 -0.55 0.81 4.15 -1.03 -0.18 115.11 119.22 3aaq h GLN 319 Ca 0.12 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 3aaq h GLN 319 Cb 0.46 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 3aaq h GLN 319 CO 0.02 0.25 -0.02 1.03 -1.93 0.00 0.00 178.83 178.18 3aaq h SER 320 N 0.27 0.97 0.01 -0.69 0.87 -1.78 -1.35 113.55 111.85 3aaq h SER 320 Ca 0.08 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3aaq h SER 320 Cb 0.03 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 3aaq h SER 320 CO -0.01 1.05 -0.14 0.25 -0.53 0.00 0.00 176.83 177.45 3aaq h LEU 321 N 0.87 -0.39 -0.71 2.23 5.85 -1.11 -0.86 115.31 121.19 3aaq h LEU 321 Ca 0.15 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3aaq h LEU 321 Cb 0.57 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3aaq h LEU 321 CO 0.03 -0.19 0.07 0.25 -0.34 0.00 0.00 178.44 178.26 3aaq h LEU 322 N -0.23 1.02 -0.58 2.25 5.85 -0.92 -1.06 115.31 121.64 3aaq h LEU 322 Ca 0.04 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 3aaq h LEU 322 Cb 0.29 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3aaq h LEU 322 CO -0.13 1.04 0.09 -0.61 -0.34 0.00 0.00 178.44 178.49 3aaq h GLN 323 N 0.99 0.97 -0.27 1.25 4.15 -1.05 -0.42 115.11 120.73 3aaq h GLN 323 Ca 0.19 -0.26 -0.19 0.00 0.77 0.00 0.00 58.65 59.16 3aaq h GLN 323 Cb 0.47 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3aaq h GLN 323 CO 0.02 0.92 -0.59 1.96 -1.93 0.00 0.00 178.83 179.21 3aaq h GLN 324 N 0.87 0.87 -0.46 1.69 4.20 -1.02 -0.66 115.11 120.60 3aaq h GLN 324 Ca 0.18 -0.57 0.01 0.00 0.06 0.00 0.00 58.65 58.32 3aaq h GLN 324 Cb 0.42 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3aaq h GLN 324 CO 0.01 1.21 0.30 0.78 -0.67 0.00 0.00 178.83 180.46 3aaq h GLY 325 N 0.67 0.64 0.95 3.46 0.00 -1.12 -0.37 103.07 107.30 3aaq h GLY 325 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3aaq h GLY 325 CO 0.13 0.23 0.13 -1.80 0.00 0.00 0.00 176.54 175.23 3aaq h ASP 326 N 0.61 0.64 0.08 0.19 3.58 -0.86 -1.48 116.42 119.18 3aaq h ASP 326 Ca 0.17 -0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 3aaq h ASP 326 Cb -0.07 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 40.83 3aaq h ASP 326 CO -0.04 0.68 -0.57 0.78 -2.88 0.00 0.00 179.24 177.21 3aaq h ASN 327 N 0.56 0.37 1.45 2.28 2.35 -1.08 -2.35 115.58 119.16 3aaq h ASN 327 Ca 0.14 -0.91 -0.08 0.00 -0.55 0.00 0.00 56.30 54.90 3aaq h ASN 327 Cb 0.28 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3aaq h ASN 327 CO -0.00 1.25 -0.56 1.56 -1.65 0.00 0.00 177.43 178.02 3aaq h GLN 328 N -0.46 0.00 0.00 0.81 1.08 -1.13 -3.40 115.11 112.01 3aaq h GLN 328 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3aaq h GLN 328 Cb 1.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 3aaq h GLN 328 CO 0.11 0.30 0.00 -0.89 -0.95 0.00 0.00 178.83 177.40 3aaq n ILE 329 N -3.09 0.67 -0.20 2.54 -0.00 -0.93 -4.68 119.36 113.66 3aaq n ILE 329 Ca 0.01 0.22 0.01 0.00 -0.00 0.00 0.00 62.75 62.99 3aaq n ILE 329 Cb 0.68 -1.09 0.11 0.00 -0.00 0.00 0.00 39.64 39.35 3aaq n ILE 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3aaq n HIS 331 N -5.14 0.91 -3.57 0.00 8.25 -0.88 -1.87 115.22 112.91 3aaq n HIS 331 Ca 0.09 -0.44 -0.37 0.00 -0.26 0.00 0.00 57.72 56.74 3aaq n HIS 331 Cb 0.33 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 3aaq n HIS 331 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3aaq s GLN 332 N -1.25 3.94 -0.04 -0.41 2.00 -0.73 -4.84 119.66 118.33 3aaq s GLN 332 Ca 0.42 0.22 -0.30 0.00 -2.00 0.00 0.00 55.36 53.71 3aaq s GLN 332 Cb 0.23 -3.29 -0.06 0.00 0.80 0.00 0.00 33.01 30.69 3aaq s GLN 332 CO 0.28 0.55 1.79 -1.14 -0.50 0.00 0.00 175.29 176.26 3aaq s GLN 333 N -0.53 4.08 0.12 1.67 -0.44 -1.26 -1.44 119.66 121.87 3aaq s GLN 333 Ca 0.20 2.29 -0.21 0.00 -2.50 0.00 0.00 55.36 55.14 3aaq s GLN 333 Cb -0.15 -4.07 -0.06 0.00 -1.64 0.00 0.00 33.01 27.09 3aaq s GLN 333 CO 0.09 -0.98 1.71 2.35 0.50 0.00 0.00 175.29 178.95 3aaq h TRP 334 N 10.29 -0.10 -0.91 1.67 2.91 -0.51 -2.06 115.95 127.24 3aaq h TRP 334 Ca -0.43 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.60 3aaq h TRP 334 Cb 1.20 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.87 3aaq h TRP 334 CO 0.92 -0.08 0.53 -0.44 -1.03 0.00 0.00 178.44 178.34 3aaq h ASP 335 N -0.02 1.10 -0.55 2.65 3.32 -1.91 0.18 116.42 121.20 3aaq h ASP 335 Ca 0.07 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3aaq h ASP 335 Cb 0.12 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3aaq h ASP 335 CO -0.16 0.86 0.20 0.40 -1.72 0.00 0.00 179.24 178.82 3aaq h ILE 336 N 1.26 1.23 0.01 0.35 2.04 -1.94 -0.90 117.51 119.55 3aaq h ILE 336 Ca 0.32 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3aaq h ILE 336 Cb -0.03 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3aaq h ILE 336 CO -0.06 0.28 -0.01 0.25 0.00 0.00 0.00 178.15 178.61 3aaq h LEU 337 N 0.76 -0.01 -1.03 1.44 5.85 -0.61 -2.14 115.31 119.56 3aaq h LEU 337 Ca 0.18 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.79 3aaq h LEU 337 Cb 0.24 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 3aaq h LEU 337 CO -0.01 0.21 0.63 -1.13 -0.34 0.00 0.00 178.44 177.80 3aaq h ASN 338 N -0.24 0.94 -0.25 1.25 -1.24 -0.61 -0.97 115.58 114.46 3aaq h ASN 338 Ca -0.00 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 3aaq h ASN 338 Cb 0.23 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 3aaq h ASN 338 CO 0.00 0.52 -0.02 1.23 -1.29 0.00 0.00 177.43 177.88 3aaq h GLY 339 N 1.02 0.63 1.95 1.57 0.00 -0.89 -2.66 103.07 104.69 3aaq h GLY 339 Ca 0.48 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 47.23 3aaq h GLY 339 CO -0.24 0.36 -0.89 1.46 0.00 0.00 0.00 176.54 177.24 3aaq h GLN 340 N 0.55 0.04 -2.08 4.80 4.20 -0.55 -3.38 115.11 118.70 3aaq h GLN 340 Ca 0.11 -0.05 -0.57 0.00 0.06 0.00 0.00 58.65 58.20 3aaq h GLN 340 Cb 0.38 0.02 -0.40 0.00 0.30 0.00 0.00 27.48 27.78 3aaq h GLN 340 CO 0.02 0.90 -0.91 0.66 -0.67 0.00 0.00 178.83 178.82 3aaq n TYR 341 N -3.53 1.27 0.26 2.96 4.01 -0.62 -4.97 117.16 116.54 3aaq n TYR 341 Ca -0.01 -3.81 0.13 0.00 -0.16 0.00 0.00 57.90 54.06 3aaq n TYR 341 Cb 0.83 -0.43 0.31 0.00 -0.31 0.00 0.00 39.34 39.74 3aaq n TYR 341 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3aaq h PRO 342 N 3.98 0.00 0.00 -0.72 0.13 -1.66 -3.26 132.00 130.47 3aaq h PRO 342 Ca 0.12 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.06 3aaq h PRO 342 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 3aaq h PRO 342 CO 0.61 0.00 -1.12 -0.44 -0.23 0.00 0.00 178.00 176.82 3aaq h ASP 343 N 0.00 0.00 -1.84 1.44 3.32 -1.93 -3.44 116.42 113.97 3aaq h ASP 343 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3aaq h ASP 343 Cb 0.86 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 3aaq h ASP 343 CO 0.00 0.80 1.22 -0.62 -1.72 0.00 0.00 179.24 178.92 3aaq s ASP 344 N -6.33 5.47 0.00 6.45 -1.08 -1.23 -4.86 116.67 115.09 3aaq s ASP 344 Ca -0.00 -0.03 0.19 0.00 -0.52 0.00 0.00 52.55 52.19 3aaq s ASP 344 Cb 0.09 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.04 3aaq s ASP 344 CO 0.80 -2.30 1.68 -1.84 0.52 0.00 0.00 175.17 174.04 3aaq n GLU 345 N 9.17 1.15 -0.00 4.34 0.28 -1.26 -2.77 120.64 131.55 3aaq n GLU 345 Ca 0.20 -0.23 0.07 0.00 -0.16 0.00 0.00 57.16 57.05 3aaq n GLU 345 Cb 0.51 -1.31 -0.09 0.00 1.43 0.00 0.00 31.44 31.97 3aaq n GLU 345 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3aaq n TYR 346 N -0.56 0.00 -0.31 -1.84 4.01 -1.26 -4.65 117.16 112.55 3aaq n TYR 346 Ca 0.14 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.92 3aaq n TYR 346 Cb 0.12 -0.03 0.11 0.00 -0.31 0.00 0.00 39.34 39.23 3aaq n TYR 346 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3aaq h LEU 347 N 0.00 -0.86 -2.68 7.72 5.85 -1.90 -1.49 115.31 121.94 3aaq h LEU 347 Ca 0.00 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3aaq h LEU 347 Cb 0.39 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3aaq h LEU 347 CO 0.00 -0.29 0.08 0.10 -0.34 0.00 0.00 178.44 177.99 3aaq h TYR 348 N -0.01 0.00 -0.01 1.25 -0.00 -1.82 -2.01 116.97 114.37 3aaq h TYR 348 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.14 3aaq h TYR 348 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 3aaq h TYR 348 CO -0.70 0.00 -0.26 0.94 -0.00 0.00 0.00 178.16 178.14 3aaq n GLN 349 N -3.23 1.17 0.17 0.10 7.27 -0.56 -4.56 117.38 117.75 3aaq n GLN 349 Ca -0.02 -0.81 0.03 0.00 0.07 0.00 0.00 57.00 56.26 3aaq n GLN 349 Cb 0.15 -1.48 0.30 0.00 2.41 0.00 0.00 30.24 31.62 3aaq n GLN 349 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 3aaq h TYR 350 N 1.98 0.00 0.01 3.69 0.05 -1.45 -0.18 116.97 121.07 3aaq h TYR 350 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3aaq h TYR 350 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 3aaq h TYR 350 CO 0.00 0.45 -0.00 0.00 -1.05 0.00 0.00 178.16 177.56 3aaq h LEU 352 N -0.38 -0.19 -0.38 0.00 5.85 -1.05 -2.32 115.31 116.84 3aaq h LEU 352 Ca -0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3aaq h LEU 352 Cb 0.38 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3aaq h LEU 352 CO 0.00 -0.07 0.06 -0.07 -0.34 0.00 0.00 178.44 178.03 3aaq h LEU 353 N -0.01 0.60 -0.68 2.25 3.38 -1.05 0.13 115.31 119.93 3aaq h LEU 353 Ca 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3aaq h LEU 353 Cb 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3aaq h LEU 353 CO -0.19 0.70 0.41 0.77 0.09 0.00 0.00 178.44 180.22 3aaq h SER 354 N 0.47 0.81 -0.71 -0.43 4.64 -1.39 -0.36 113.55 116.58 3aaq h SER 354 Ca 0.12 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3aaq h SER 354 Cb 0.36 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3aaq h SER 354 CO 0.01 0.63 0.22 0.28 -0.87 0.00 0.00 176.83 177.10 3aaq h SER 355 N 0.92 1.04 -0.17 4.97 0.02 -1.11 -2.64 113.55 116.58 3aaq h SER 355 Ca 0.24 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3aaq h SER 355 Cb -0.04 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 3aaq h SER 355 CO -0.05 0.97 -0.15 0.22 -1.14 0.00 0.00 176.83 176.68 3aaq h TYR 356 N 1.07 0.49 -0.33 3.45 3.20 -0.36 -1.36 116.97 123.12 3aaq h TYR 356 Ca 0.23 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3aaq h TYR 356 Cb 0.30 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3aaq h TYR 356 CO 0.02 0.77 0.20 1.88 -1.64 0.00 0.00 178.16 179.40 3aaq h TYR 357 N 0.06 0.43 -0.20 -3.82 0.05 -1.07 0.70 116.97 113.12 3aaq h TYR 357 Ca 0.03 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.84 3aaq h TYR 357 Cb 0.68 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 3aaq h TYR 357 CO 0.08 0.30 0.04 -0.92 -1.05 0.00 0.00 178.16 176.61 3aaq h TYR 358 N 0.43 0.06 -0.57 4.88 3.20 -1.47 -0.39 116.97 123.11 3aaq h TYR 358 Ca 0.12 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.09 3aaq h TYR 358 Cb -0.00 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3aaq h TYR 358 CO -0.04 0.02 0.20 0.00 -1.64 0.00 0.00 178.16 176.70 3aaq h ALA 359 N 1.14 0.72 0.25 1.82 0.00 -0.93 0.24 119.26 122.51 3aaq h ALA 359 Ca 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3aaq h ALA 359 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3aaq h ALA 359 CO -0.12 -0.21 -0.12 1.25 0.00 0.00 0.00 179.25 180.05 3aaq h LEU 360 N 0.37 -0.28 0.16 0.00 5.85 -0.58 0.02 115.31 120.86 3aaq h LEU 360 Ca 0.29 -0.18 -0.31 0.00 0.84 0.00 0.00 57.88 58.51 3aaq h LEU 360 Cb 0.35 0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.49 3aaq h LEU 360 CO -0.30 0.04 -1.32 0.24 -0.34 0.00 0.00 178.44 176.76 3aaq h MET 361 N -0.63 0.60 0.00 1.25 2.86 -0.93 0.85 114.93 118.93 3aaq h MET 361 Ca -0.03 -0.87 0.00 0.00 -2.06 0.00 0.00 59.70 56.74 3aaq h MET 361 Cb 0.45 0.30 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3aaq h MET 361 CO 0.06 1.40 -0.20 0.28 1.06 0.00 0.00 176.91 179.51 3aaq h VAL 362 N 0.24 0.00 0.00 -2.22 2.07 -0.65 0.10 116.25 115.79 3aaq h VAL 362 Ca -0.21 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 3aaq h VAL 362 Cb 2.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3aaq h VAL 362 CO 0.25 0.00 -0.36 0.44 0.02 0.00 0.00 177.57 177.92 3aaq h ASP 363 N -0.53 0.00 0.00 0.57 5.19 -1.46 -0.90 116.42 119.29 3aaq h ASP 363 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3aaq h ASP 363 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3aaq h ASP 363 CO 0.00 0.36 0.00 0.61 -3.12 0.00 0.00 179.24 177.09 3aaq n GLY 364 N -0.04 -0.07 0.29 2.75 0.00 -0.04 -4.54 105.19 103.53 3aaq n GLY 364 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 3aaq n GLY 364 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3aaq h TYR 365 N 0.00 0.00 0.00 1.61 0.05 -0.79 -3.21 116.97 114.63 3aaq h TYR 365 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3aaq h TYR 365 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3aaq h TYR 365 CO 0.00 0.04 0.00 0.41 -1.05 0.00 0.00 178.16 177.56 3aaq n GLY 366 N -0.41 0.46 3.74 3.88 0.00 -0.34 -4.32 105.19 108.21 3aaq n GLY 366 Ca -0.01 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 3aaq n GLY 366 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aaq s ILE 367 N -2.00 2.96 0.17 -0.61 1.01 0.30 -4.95 121.20 118.08 3aaq s ILE 367 Ca 0.00 0.81 -0.32 0.00 0.00 0.00 0.00 60.65 61.15 3aaq s ILE 367 Cb 0.00 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 3aaq s ILE 367 CO 0.00 0.13 1.71 0.21 0.00 0.00 0.00 174.94 176.99 3aaq s ASN 368 N 0.23 6.45 0.53 3.58 3.84 -1.26 -4.21 114.94 124.09 3aaq s ASN 368 Ca 0.57 2.77 0.25 0.00 0.21 0.00 0.00 52.86 56.66 3aaq s ASN 368 Cb -0.39 -2.59 1.39 0.00 -0.55 0.00 0.00 41.25 39.11 3aaq s ASN 368 CO 0.42 -0.94 1.75 1.55 -2.79 0.00 0.00 177.10 177.09 3aaq h PRO 369 N 7.28 0.00 -0.03 0.43 0.13 -1.96 0.40 132.00 138.25 3aaq h PRO 369 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3aaq h PRO 369 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3aaq h PRO 369 CO 0.94 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.80 3aaq n ASN 370 N -2.59 2.62 -4.72 1.44 4.13 -1.26 -0.32 115.26 114.55 3aaq n ASN 370 Ca -0.02 -1.80 -0.42 0.00 1.68 0.00 0.00 54.58 54.02 3aaq n ASN 370 Cb 0.29 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.50 3aaq n ASN 370 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3aaq s GLN 371 N -1.59 4.32 0.15 3.52 2.00 0.13 -4.93 119.66 123.26 3aaq s GLN 371 Ca 0.23 2.11 -0.31 0.00 -2.00 0.00 0.00 55.36 55.38 3aaq s GLN 371 Cb 0.16 -3.22 -0.11 0.00 0.80 0.00 0.00 33.01 30.64 3aaq s GLN 371 CO 0.24 -0.43 1.73 0.99 -0.50 0.00 0.00 175.29 177.32 3aaq s THR 372 N 0.91 2.45 -0.29 -0.34 2.01 -1.26 -4.31 115.64 114.82 3aaq s THR 372 Ca 0.64 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.77 3aaq s THR 372 Cb -0.38 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.07 3aaq s THR 372 CO 0.32 0.01 0.01 -0.63 -0.69 0.00 0.00 174.62 173.63 3aaq s ILE 373 N 1.97 3.14 0.47 1.82 -1.09 0.12 -4.47 121.20 123.16 3aaq s ILE 373 Ca 0.76 -1.22 -0.22 0.00 -2.23 0.00 0.00 60.65 57.74 3aaq s ILE 373 Cb -0.46 -2.74 -0.08 0.00 -1.58 0.00 0.00 42.46 37.60 3aaq s ILE 373 CO 0.34 -0.04 1.08 -1.00 -1.23 0.00 0.00 174.94 174.09 3aaq s HIS 374 N 1.31 2.98 0.00 3.97 3.76 -0.59 -1.11 115.29 125.61 3aaq s HIS 374 Ca -0.03 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 3aaq s HIS 374 Cb -0.19 -3.19 -0.01 0.00 1.11 0.00 0.00 32.58 30.31 3aaq s HIS 374 CO -0.01 -1.06 -0.10 1.52 -0.85 0.00 0.00 174.74 174.25 3aaq s TYR 375 N -1.77 0.88 -0.25 1.40 -0.85 -0.47 -0.48 117.35 115.81 3aaq s TYR 375 Ca 0.65 -0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.71 3aaq s TYR 375 Cb -0.22 -0.56 0.01 0.00 0.38 0.00 0.00 41.96 41.58 3aaq s TYR 375 CO 0.26 -0.01 1.09 0.42 -1.52 0.00 0.00 175.55 175.79 3aaq s ILE 376 N -0.35 4.56 0.61 -3.49 -1.09 -0.82 -4.69 121.20 115.92 3aaq s ILE 376 Ca 0.03 1.85 -0.19 0.00 -2.23 0.00 0.00 60.65 60.11 3aaq s ILE 376 Cb -0.04 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 3aaq s ILE 376 CO -0.00 -0.27 1.25 -2.16 -1.23 0.00 0.00 174.94 172.53 3aaq s PRO 377 N 3.41 2.85 0.27 2.79 0.04 -1.26 -4.74 135.00 138.36 3aaq s PRO 377 Ca 0.46 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 3aaq s PRO 377 Cb -0.15 -1.94 0.43 0.00 0.04 0.00 0.00 34.50 32.88 3aaq s PRO 377 CO 0.10 -1.33 1.87 -1.35 0.04 0.00 0.00 177.00 176.34 3aaq h PRO 378 N 0.84 1.10 -0.59 0.56 0.11 -1.96 -1.64 132.00 130.42 3aaq h PRO 378 Ca -0.51 -0.07 0.15 0.00 0.11 0.00 0.00 66.00 65.69 3aaq h PRO 378 Cb 1.31 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3aaq h PRO 378 CO 0.55 0.72 0.41 1.05 -0.21 0.00 0.00 178.00 180.52 3aaq h GLU 379 N 1.13 0.12 0.00 1.05 9.09 -1.97 -2.98 114.58 121.02 3aaq h GLU 379 Ca 0.44 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.83 3aaq h GLU 379 Cb 0.23 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.30 3aaq h GLU 379 CO -0.19 0.08 -0.07 1.96 0.05 0.00 0.00 179.01 180.84 3aaq h GLN 380 N 0.13 0.00 -5.97 1.06 4.20 -1.65 -3.47 115.11 109.40 3aaq h GLN 380 Ca 0.28 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.62 3aaq h GLN 380 Cb 0.94 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.84 3aaq h GLN 380 CO -0.03 0.07 -0.91 0.09 -0.67 0.00 0.00 178.83 177.37 3aaq n ASN 381 N -3.34 -5.65 -4.74 1.46 3.02 -1.13 -4.96 115.26 99.91 3aaq n ASN 381 Ca -0.01 -0.91 -0.38 0.00 -0.03 0.00 0.00 54.58 53.24 3aaq n ASN 381 Cb 0.24 -3.98 -0.06 0.00 -0.61 0.00 0.00 39.78 35.37 3aaq n ASN 381 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3aaq s LEU 382 N -6.13 4.34 -0.05 3.41 0.20 -1.26 -5.07 118.68 114.11 3aaq s LEU 382 Ca 0.46 0.95 0.04 0.00 0.69 0.00 0.00 54.13 56.27 3aaq s LEU 382 Cb -0.13 -2.78 0.00 0.00 -0.43 0.00 0.00 46.19 42.86 3aaq s LEU 382 CO 0.82 0.05 -0.16 -0.62 -0.29 0.00 0.00 176.35 176.16 3aaq s ASP 383 N 0.24 2.06 0.57 3.68 2.15 -1.26 -5.02 116.67 119.09 3aaq s ASP 383 Ca 0.28 -0.34 0.30 0.00 0.43 0.00 0.00 52.55 53.22 3aaq s ASP 383 Cb -0.16 -0.72 1.44 0.00 -0.30 0.00 0.00 42.92 43.18 3aaq s ASP 383 CO 0.13 0.11 1.84 4.11 -0.17 0.00 0.00 175.17 181.19 3aaq h TRP 384 N 6.52 0.00 0.00 -5.34 5.08 -1.93 -0.84 115.95 119.43 3aaq h TRP 384 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 3aaq h TRP 384 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 3aaq h TRP 384 CO 0.46 0.00 0.00 1.79 -1.28 0.00 0.00 178.44 179.41 3aaq h THR 385 N 0.00 0.00 -0.88 0.12 1.35 -1.95 0.16 112.91 111.70 3aaq h THR 385 Ca 0.32 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 66.02 3aaq h THR 385 Cb 1.55 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 69.04 3aaq h THR 385 CO -0.00 0.00 0.57 0.40 -0.25 0.00 0.00 175.52 176.24 3aaq h ILE 386 N 0.00 1.23 -0.89 6.82 2.04 -1.49 -1.57 117.51 123.66 3aaq h ILE 386 Ca 0.00 -0.44 0.10 0.00 1.00 0.00 0.00 64.86 65.52 3aaq h ILE 386 Cb 0.17 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.13 3aaq h ILE 386 CO 0.00 0.23 0.57 1.23 0.00 0.00 0.00 178.15 180.18 3aaq h GLY 387 N 1.21 1.28 0.96 5.37 0.00 -1.07 -2.10 103.07 108.71 3aaq h GLY 387 Ca 0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3aaq h GLY 387 CO -0.07 0.19 0.13 -2.08 0.00 0.00 0.00 176.54 174.72 3aaq h VAL 388 N 0.86 1.23 -0.15 4.60 2.07 -1.33 -1.39 116.25 122.14 3aaq h VAL 388 Ca 0.42 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3aaq h VAL 388 Cb 0.44 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3aaq h VAL 388 CO -0.18 0.27 -0.13 0.58 0.02 0.00 0.00 177.57 178.13 3aaq h VAL 389 N 0.59 0.63 -0.73 2.57 2.07 -1.22 0.44 116.25 120.60 3aaq h VAL 389 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3aaq h VAL 389 Cb 0.28 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3aaq h VAL 389 CO -0.00 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.94 3aaq h LEU 390 N -0.15 0.64 0.14 2.57 3.38 -1.22 -1.91 115.31 118.75 3aaq h LEU 390 Ca 0.10 0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.79 3aaq h LEU 390 Cb 0.29 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3aaq h LEU 390 CO -0.24 0.41 -1.51 -0.74 0.09 0.00 0.00 178.44 176.44 3aaq h HIS 391 N 0.77 0.52 0.00 1.13 2.76 -0.99 -3.43 115.15 115.91 3aaq h HIS 391 Ca 0.33 -0.38 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3aaq h HIS 391 Cb 0.20 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 3aaq h HIS 391 CO -0.06 1.41 -1.26 0.54 -1.30 0.00 0.00 177.93 177.26 3aaq n ARG 392 N -3.50 0.40 0.00 5.26 5.12 0.15 -5.09 116.66 119.01 3aaq n ARG 392 Ca -0.16 -0.05 0.16 0.00 -1.93 0.00 0.00 57.85 55.87 3aaq n ARG 392 Cb 1.05 -1.13 0.92 0.00 -1.16 0.00 0.00 32.46 32.14 3aaq n ARG 392 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70