#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bl9 s ARG 41 N 0.00 1.29 0.75 5.55 0.52 -1.26 -5.14 118.95 120.66 3bl9 s ARG 41 Ca 0.00 -1.32 -0.13 0.00 -0.52 0.00 0.00 55.73 53.76 3bl9 s ARG 41 Cb 0.00 -1.60 0.05 0.00 0.52 0.00 0.00 34.95 33.92 3bl9 s ARG 41 CO 0.00 0.36 1.14 -0.51 0.02 0.00 0.00 175.30 176.31 3bl9 s LEU 42 N -2.21 3.21 -0.01 2.53 1.43 -1.26 -4.89 118.68 117.48 3bl9 s LEU 42 Ca 0.13 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 3bl9 s LEU 42 Cb -0.09 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.59 3bl9 s LEU 42 CO 0.06 -2.15 0.94 -0.81 0.23 0.00 0.00 176.35 174.62 3bl9 n PRO 43 N -3.03 1.04 -3.88 1.29 -0.04 -1.26 -4.76 135.00 124.35 3bl9 n PRO 43 Ca 0.11 -0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 3bl9 n PRO 43 Cb 0.52 -1.10 0.02 0.00 -0.04 0.00 0.00 33.50 32.89 3bl9 n PRO 43 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3bl9 s PHE 44 N -0.22 0.07 -0.05 0.54 -0.12 -1.26 -5.07 117.98 111.86 3bl9 s PHE 44 Ca 0.01 -0.49 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 3bl9 s PHE 44 Cb 0.01 0.71 -0.00 0.00 -0.63 0.00 0.00 43.02 43.10 3bl9 s PHE 44 CO 0.00 -0.95 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.49 3bl9 s SER 45 N -3.40 2.38 0.00 1.98 1.04 -1.26 -4.98 113.70 109.46 3bl9 s SER 45 Ca 0.22 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3bl9 s SER 45 Cb -0.03 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.35 3bl9 s SER 45 CO 0.06 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3bl9 n GLY 46 N 3.20 0.96 3.58 7.32 0.00 -1.26 -1.99 105.19 117.01 3bl9 n GLY 46 Ca -0.18 -0.23 -0.50 0.00 0.00 0.00 0.00 46.02 45.11 3bl9 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bl9 n PHE 47 N -0.83 1.97 -4.09 1.61 7.35 -1.26 -4.60 117.46 117.61 3bl9 n PHE 47 Ca 0.00 0.15 -0.32 0.00 -0.76 0.00 0.00 57.45 56.52 3bl9 n PHE 47 Cb 0.17 -2.60 -0.15 0.00 0.35 0.00 0.00 39.48 37.25 3bl9 n PHE 47 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3bl9 s ARG 48 N 5.13 2.53 0.10 -4.13 3.52 -0.35 -4.98 118.95 120.77 3bl9 s ARG 48 Ca 1.01 -1.15 -0.31 0.00 -0.13 0.00 0.00 55.73 55.16 3bl9 s ARG 48 Cb -0.76 -2.77 -0.10 0.00 -1.56 0.00 0.00 34.95 29.77 3bl9 s ARG 48 CO 0.50 -0.43 1.85 -1.17 -0.81 0.00 0.00 175.30 175.24 3bl9 s LEU 49 N 1.17 4.40 -0.17 -0.88 2.96 -1.26 -0.13 118.68 124.77 3bl9 s LEU 49 Ca -0.04 2.71 -0.14 0.00 -0.22 0.00 0.00 54.13 56.44 3bl9 s LEU 49 Cb -0.17 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.74 3bl9 s LEU 49 CO -0.08 -1.01 0.28 0.00 -1.32 0.00 0.00 176.35 174.22 3bl9 n GLN 50 N 6.15 0.66 -3.64 1.98 1.13 0.82 -4.86 117.38 119.63 3bl9 n GLN 50 Ca 0.18 0.42 -0.10 0.00 -1.94 0.00 0.00 57.00 55.56 3bl9 n GLN 50 Cb 0.39 -1.73 -0.07 0.00 0.11 0.00 0.00 30.24 28.95 3bl9 n GLN 50 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3bl9 s LYS 51 N -2.46 0.58 -0.45 -1.09 2.20 -1.00 -5.03 119.74 112.49 3bl9 s LYS 51 Ca -0.26 0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 3bl9 s LYS 51 Cb 0.06 0.28 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 3bl9 s LYS 51 CO 0.67 -0.07 1.40 0.08 -0.36 0.00 0.00 175.35 177.08 3bl9 s VAL 52 N 0.26 3.89 0.15 4.02 1.01 -1.26 -0.90 120.40 127.56 3bl9 s VAL 52 Ca 0.02 0.87 -0.13 0.00 0.00 0.00 0.00 61.98 62.74 3bl9 s VAL 52 Cb -0.05 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.07 3bl9 s VAL 52 CO -0.05 -0.87 1.64 -0.07 0.00 0.00 0.00 175.10 175.75 3bl9 h LEU 53 N 12.41 0.75 -7.00 3.92 3.38 -1.26 -3.46 115.31 124.05 3bl9 h LEU 53 Ca -0.27 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 3bl9 h LEU 53 Cb 1.10 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 41.46 3bl9 h LEU 53 CO 1.11 0.81 0.18 -0.60 0.09 0.00 0.00 178.44 180.03 3bl9 s ARG 54 N -5.24 0.99 -0.01 1.13 3.52 -1.18 0.20 118.95 118.37 3bl9 s ARG 54 Ca -0.13 0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.92 3bl9 s ARG 54 Cb 0.11 0.47 -0.00 0.00 -1.56 0.00 0.00 34.95 33.97 3bl9 s ARG 54 CO 0.79 -0.26 0.04 -1.83 -0.81 0.00 0.00 175.30 173.24 3bl9 s GLU 55 N -0.75 0.19 -0.17 5.12 4.04 -1.26 -0.50 118.70 125.36 3bl9 s GLU 55 Ca -0.08 -0.17 -0.01 0.00 0.04 0.00 0.00 54.97 54.75 3bl9 s GLU 55 Cb -0.01 0.08 0.05 0.00 0.02 0.00 0.00 34.13 34.26 3bl9 s GLU 55 CO 0.07 -0.03 -0.02 0.45 -1.84 0.00 0.00 175.26 173.89 3bl9 s SER 56 N -0.56 2.88 0.30 0.83 0.15 -0.26 -5.00 113.70 112.03 3bl9 s SER 56 Ca -0.06 -0.72 0.11 0.00 0.70 0.00 0.00 55.95 55.97 3bl9 s SER 56 Cb -0.04 -0.82 0.45 0.00 -1.71 0.00 0.00 66.02 63.90 3bl9 s SER 56 CO -0.00 -0.23 1.67 0.00 1.20 0.00 0.00 173.24 175.89 3bl9 h ALA 57 N 8.15 1.09 -0.23 5.45 0.00 -1.97 -1.00 119.26 130.74 3bl9 h ALA 57 Ca -0.21 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 3bl9 h ALA 57 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3bl9 h ALA 57 CO 0.37 0.68 0.12 -0.09 0.00 0.00 0.00 179.25 180.33 3bl9 h ARG 58 N 0.01 0.33 -0.07 0.00 2.43 -1.96 -3.23 114.38 111.90 3bl9 h ARG 58 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3bl9 h ARG 58 Cb 0.97 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3bl9 h ARG 58 CO 0.07 0.33 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 3bl9 n ASP 59 N -4.85 2.07 -3.65 -3.80 8.00 -1.18 -4.96 116.55 108.18 3bl9 n ASP 59 Ca -0.03 -1.70 -0.23 0.00 0.71 0.00 0.00 54.79 53.54 3bl9 n ASP 59 Cb 0.09 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.19 3bl9 n ASP 59 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bl9 n LYS 60 N 0.61 -3.65 -3.90 -1.24 4.76 -0.43 -4.74 118.16 109.56 3bl9 n LYS 60 Ca 0.17 0.60 -0.11 0.00 -2.87 0.00 0.00 58.31 56.11 3bl9 n LYS 60 Cb 0.44 -4.98 -0.12 0.00 -1.84 0.00 0.00 35.03 28.52 3bl9 n LYS 60 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3bl9 s ILE 61 N -3.61 0.05 -0.00 -0.18 2.07 -0.89 -1.42 121.20 117.22 3bl9 s ILE 61 Ca 0.17 -0.41 -0.02 0.00 -1.41 0.00 0.00 60.65 58.98 3bl9 s ILE 61 Cb -0.05 -0.17 -0.00 0.00 0.13 0.00 0.00 42.46 42.37 3bl9 s ILE 61 CO 0.82 -0.22 0.03 0.27 -1.91 0.00 0.00 174.94 173.92 3bl9 s ILE 62 N -0.67 0.04 -0.23 2.00 -4.36 -0.47 -1.11 121.20 116.41 3bl9 s ILE 62 Ca -0.07 -0.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.96 3bl9 s ILE 62 Cb -0.05 -0.17 0.04 0.00 1.25 0.00 0.00 42.46 43.54 3bl9 s ILE 62 CO -0.00 -0.20 -0.13 -0.36 0.24 0.00 0.00 174.94 174.49 3bl9 s PHE 63 N -0.61 3.07 -0.11 1.37 0.40 0.34 -1.49 117.98 120.94 3bl9 s PHE 63 Ca -0.07 -1.93 -0.01 0.00 -0.60 0.00 0.00 56.93 54.32 3bl9 s PHE 63 Cb -0.04 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 3bl9 s PHE 63 CO -0.00 -0.82 -0.08 -0.51 0.70 0.00 0.00 175.22 174.51 3bl9 s LEU 64 N 1.21 3.07 -0.34 -0.37 1.43 0.08 -0.73 118.68 123.04 3bl9 s LEU 64 Ca -0.02 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 3bl9 s LEU 64 Cb -0.17 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3bl9 s LEU 64 CO -0.07 0.25 0.30 -2.28 0.23 0.00 0.00 176.35 174.77 3bl9 s HIS 65 N -0.13 3.22 0.07 0.29 5.65 -0.08 -1.34 115.29 122.97 3bl9 s HIS 65 Ca 0.01 -0.13 0.09 0.00 0.25 0.00 0.00 55.06 55.28 3bl9 s HIS 65 Cb -0.13 -2.57 -0.03 0.00 -1.18 0.00 0.00 32.58 28.67 3bl9 s HIS 65 CO 0.03 -0.39 -0.23 0.20 -0.65 0.00 0.00 174.74 173.69 3bl9 s GLY 66 N 1.73 1.53 0.12 1.59 0.00 -0.42 -0.12 107.32 111.74 3bl9 s GLY 66 Ca 0.09 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.25 3bl9 s GLY 66 CO 0.11 -1.23 0.78 0.54 0.00 0.00 0.00 173.10 173.30 3bl9 s LYS 67 N -1.60 4.54 -0.02 2.90 -0.14 0.81 -1.60 119.74 124.63 3bl9 s LYS 67 Ca 0.14 1.13 0.04 0.00 -1.36 0.00 0.00 55.97 55.92 3bl9 s LYS 67 Cb -0.10 -3.30 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 3bl9 s LYS 67 CO 0.05 0.46 -0.13 0.14 -0.76 0.00 0.00 175.35 175.10 3bl9 s VAL 68 N -0.71 1.07 0.00 3.17 -7.23 -1.26 -1.21 120.40 114.23 3bl9 s VAL 68 Ca 0.37 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 3bl9 s VAL 68 Cb -0.22 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 35.81 3bl9 s VAL 68 CO 0.25 0.31 0.00 0.59 -0.31 0.00 0.00 175.10 175.94 3bl9 n ASN 69 N 2.91 0.00 0.00 4.85 3.02 -0.84 -4.71 115.26 120.49 3bl9 n ASN 69 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3bl9 n ASN 69 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3bl9 n ASN 69 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3bl9 n GLU 78 N 0.00 0.00 -4.60 3.52 -0.00 -1.26 -5.13 120.64 113.17 3bl9 n GLU 78 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.82 3bl9 n GLU 78 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.32 3bl9 n GLU 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3bl9 s ASP 79 N -2.85 4.61 0.02 -1.84 1.01 -1.26 -4.43 116.67 111.93 3bl9 s ASP 79 Ca 0.00 -0.07 0.05 0.00 0.71 0.00 0.00 52.55 53.24 3bl9 s ASP 79 Cb 0.00 -1.31 -0.02 0.00 1.01 0.00 0.00 42.92 42.61 3bl9 s ASP 79 CO 0.00 0.31 -0.14 0.00 0.21 0.00 0.00 175.17 175.55 3bl9 s ALA 80 N -0.50 1.19 -0.19 5.23 0.00 -0.63 -0.53 121.76 126.32 3bl9 s ALA 80 Ca 0.07 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 3bl9 s ALA 80 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3bl9 s ALA 80 CO 0.02 0.25 0.06 0.08 0.00 0.00 0.00 175.76 176.18 3bl9 s VAL 81 N -0.63 4.68 -0.15 0.00 1.01 -0.58 -1.30 120.40 123.42 3bl9 s VAL 81 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3bl9 s VAL 81 Cb -0.07 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3bl9 s VAL 81 CO 0.01 0.43 -0.19 -0.69 0.00 0.00 0.00 175.10 174.66 3bl9 s VAL 82 N 0.62 2.29 -0.20 2.92 1.01 -0.45 -0.41 120.40 126.19 3bl9 s VAL 82 Ca 0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3bl9 s VAL 82 Cb -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3bl9 s VAL 82 CO 0.01 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.98 3bl9 s ILE 83 N 0.84 3.51 -0.09 2.22 1.01 0.27 -0.74 121.20 128.22 3bl9 s ILE 83 Ca -0.06 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3bl9 s ILE 83 Cb -0.15 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3bl9 s ILE 83 CO -0.02 0.44 -0.22 -0.76 0.00 0.00 0.00 174.94 174.39 3bl9 s LEU 84 N 1.11 2.24 -0.05 2.97 1.02 -0.56 -0.23 118.68 125.18 3bl9 s LEU 84 Ca 0.01 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.70 3bl9 s LEU 84 Cb -0.15 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.64 3bl9 s LEU 84 CO -0.00 0.20 -0.05 -0.70 0.02 0.00 0.00 176.35 175.82 3bl9 s GLU 85 N 0.10 0.94 0.71 1.70 2.12 0.02 -1.37 118.70 122.93 3bl9 s GLU 85 Ca -0.10 -0.14 -0.14 0.00 0.36 0.00 0.00 54.97 54.95 3bl9 s GLU 85 Cb -0.16 -0.91 0.03 0.00 0.26 0.00 0.00 34.13 33.35 3bl9 s GLU 85 CO 0.06 -0.07 1.13 0.15 -0.54 0.00 0.00 175.26 175.99 3bl9 s LYS 86 N 0.89 2.42 0.09 4.30 -0.14 -0.51 -0.99 119.74 125.81 3bl9 s LYS 86 Ca -0.11 1.44 0.01 0.00 -1.36 0.00 0.00 55.97 55.95 3bl9 s LYS 86 Cb -0.14 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 3bl9 s LYS 86 CO 0.01 -1.55 0.21 0.95 -0.76 0.00 0.00 175.35 174.20 3bl9 s THR 87 N -2.40 5.20 0.86 2.17 -4.23 -1.24 -4.80 115.64 111.21 3bl9 s THR 87 Ca 0.67 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.52 3bl9 s THR 87 Cb -0.22 -3.57 0.11 0.00 1.34 0.00 0.00 72.50 70.16 3bl9 s THR 87 CO 0.46 0.07 1.15 -2.84 -0.54 0.00 0.00 174.62 172.92 3bl9 s PRO 88 N -2.71 1.39 0.28 3.99 0.02 -1.26 -5.00 135.00 131.72 3bl9 s PRO 88 Ca 0.34 1.52 -0.28 0.00 0.02 0.00 0.00 61.00 62.60 3bl9 s PRO 88 Cb -0.12 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 3bl9 s PRO 88 CO 0.27 -2.35 0.97 -0.06 -0.33 0.00 0.00 177.00 175.50 3bl9 s PHE 89 N -2.59 3.79 -0.17 6.54 0.40 -1.26 -5.05 117.98 119.64 3bl9 s PHE 89 Ca 0.67 1.83 -0.14 0.00 -0.60 0.00 0.00 56.93 58.69 3bl9 s PHE 89 Cb -0.23 -3.02 -0.05 0.00 0.51 0.00 0.00 43.02 40.23 3bl9 s PHE 89 CO 0.56 0.15 0.29 -0.65 0.70 0.00 0.00 175.22 176.26 3bl9 s GLN 90 N -1.57 4.25 0.19 0.44 -0.21 -1.26 -5.02 119.66 116.47 3bl9 s GLN 90 Ca 0.45 0.08 -0.12 0.00 0.02 0.00 0.00 55.36 55.79 3bl9 s GLN 90 Cb -0.24 -3.44 0.18 0.00 1.00 0.00 0.00 33.01 30.51 3bl9 s GLN 90 CO 0.31 0.22 1.76 0.28 -2.12 0.00 0.00 175.29 175.74 3bl9 h VAL 91 N 4.72 0.87 -0.54 1.09 2.07 -2.00 -2.06 116.25 120.40 3bl9 h VAL 91 Ca -0.41 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3bl9 h VAL 91 Cb 1.16 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3bl9 h VAL 91 CO 0.75 0.08 0.09 -0.08 0.02 0.00 0.00 177.57 178.43 3bl9 h GLU 92 N 0.41 0.85 -0.60 1.57 4.57 -1.99 -0.10 114.58 119.30 3bl9 h GLU 92 Ca 0.24 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3bl9 h GLU 92 Cb 0.23 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3bl9 h GLU 92 CO -0.22 0.80 0.10 1.96 -1.18 0.00 0.00 179.01 180.46 3bl9 h GLN 93 N 0.81 1.00 -0.13 1.92 4.20 -1.82 -1.08 115.11 120.01 3bl9 h GLN 93 Ca 0.17 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3bl9 h GLN 93 Cb 0.36 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3bl9 h GLN 93 CO 0.01 0.94 -0.15 0.28 -0.67 0.00 0.00 178.83 179.23 3bl9 h VAL 94 N 0.90 1.36 -0.69 -0.54 2.07 -1.11 -2.08 116.25 116.17 3bl9 h VAL 94 Ca 0.18 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.39 3bl9 h VAL 94 Cb 0.43 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3bl9 h VAL 94 CO 0.01 0.39 0.43 0.00 0.02 0.00 0.00 177.57 178.42 3bl9 h ALA 95 N 0.59 0.89 -0.25 1.67 0.00 -0.93 -0.48 119.26 120.75 3bl9 h ALA 95 Ca 0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3bl9 h ALA 95 Cb 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3bl9 h ALA 95 CO 0.04 0.20 -0.56 -0.56 0.00 0.00 0.00 179.25 178.37 3bl9 h GLN 96 N 0.84 0.77 -0.45 0.00 3.07 -1.25 -2.99 115.11 115.10 3bl9 h GLN 96 Ca 0.27 -0.49 0.05 0.00 0.09 0.00 0.00 58.65 58.57 3bl9 h GLN 96 Cb 0.01 0.06 -0.05 0.00 0.08 0.00 0.00 27.48 27.58 3bl9 h GLN 96 CO -0.10 1.12 0.18 1.25 0.09 0.00 0.00 178.83 181.37 3bl9 h LEU 97 N 0.59 0.22 -1.32 0.06 5.85 -0.95 -2.42 115.31 117.34 3bl9 h LEU 97 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3bl9 h LEU 97 Cb 1.14 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3bl9 h LEU 97 CO 0.12 0.16 0.00 -0.07 -0.34 0.00 0.00 178.44 178.31 3bl9 h LEU 98 N 0.37 0.00 -2.81 2.25 3.38 -1.00 -1.21 115.31 116.28 3bl9 h LEU 98 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3bl9 h LEU 98 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3bl9 h LEU 98 CO -0.19 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.69 3bl9 n THR 99 N -2.55 1.03 -3.06 0.22 -2.24 -0.94 -4.86 114.28 101.90 3bl9 n THR 99 Ca 0.00 -1.01 -0.19 0.00 -2.27 0.00 0.00 64.05 60.58 3bl9 n THR 99 Cb 0.19 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 3bl9 n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bl9 n GLY 100 N 1.22 2.11 3.39 3.38 0.00 -0.46 -5.02 105.19 109.81 3bl9 n GLY 100 Ca 0.20 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 3bl9 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bl9 n SER 101 N 1.32 -4.02 -4.78 1.61 7.64 -1.26 -4.88 113.62 109.25 3bl9 n SER 101 Ca 0.18 -0.70 -0.37 0.00 1.01 0.00 0.00 58.87 58.99 3bl9 n SER 101 Cb 0.57 -4.98 -0.04 0.00 -1.01 0.00 0.00 64.21 58.75 3bl9 n SER 101 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3bl9 s PRO 102 N -5.05 4.26 -0.99 1.43 0.04 -1.26 -4.94 135.00 128.50 3bl9 s PRO 102 Ca 0.21 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 3bl9 s PRO 102 Cb -0.03 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 31.98 3bl9 s PRO 102 CO 0.75 -0.05 1.30 -1.21 0.04 0.00 0.00 177.00 177.82 3bl9 s GLU 103 N -2.36 3.62 -0.09 4.56 2.02 -1.26 -4.97 118.70 120.22 3bl9 s GLU 103 Ca 0.56 -1.51 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 3bl9 s GLU 103 Cb -0.22 -5.13 -0.03 0.00 0.10 0.00 0.00 34.13 28.85 3bl9 s GLU 103 CO 0.28 -1.98 -0.06 -0.51 0.02 0.00 0.00 175.26 173.01 3bl9 s LEU 104 N 3.70 3.18 -0.05 1.80 1.43 -1.26 -1.32 118.68 126.16 3bl9 s LEU 104 Ca 0.39 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3bl9 s LEU 104 Cb -0.02 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3bl9 s LEU 104 CO -0.09 0.32 0.03 -1.58 0.23 0.00 0.00 176.35 175.27 3bl9 s GLN 105 N -0.56 0.19 0.22 1.70 2.00 0.27 -4.96 119.66 118.52 3bl9 s GLN 105 Ca 0.08 0.26 -0.32 0.00 -2.00 0.00 0.00 55.36 53.39 3bl9 s GLN 105 Cb -0.12 -0.66 -0.12 0.00 0.80 0.00 0.00 33.01 32.91 3bl9 s GLN 105 CO 0.02 -0.30 1.72 -1.17 -0.50 0.00 0.00 175.29 175.06 3bl9 s LEU 106 N 1.99 4.37 -0.14 3.68 2.96 -1.26 0.85 118.68 131.12 3bl9 s LEU 106 Ca 0.03 2.89 -0.03 0.00 -0.22 0.00 0.00 54.13 56.81 3bl9 s LEU 106 Cb -0.12 -3.60 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 3bl9 s LEU 106 CO -0.04 -0.98 0.28 1.67 -1.32 0.00 0.00 176.35 175.97 3bl9 n GLN 107 N 3.81 0.73 0.00 1.98 7.27 0.99 -4.83 117.38 127.33 3bl9 n GLN 107 Ca 0.15 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.46 3bl9 n GLN 107 Cb 0.35 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.32 3bl9 n GLN 107 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 3bl9 n PHE 108 N -3.39 0.00 -4.24 3.69 1.16 -1.13 -5.02 117.46 108.53 3bl9 n PHE 108 Ca -0.33 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.11 3bl9 n PHE 108 Cb 1.04 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.81 3bl9 n PHE 108 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3bl9 s SER 109 N 0.00 1.37 -0.30 5.98 1.04 -1.26 -1.43 113.70 119.10 3bl9 s SER 109 Ca 0.00 -1.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.24 3bl9 s SER 109 Cb 0.00 0.08 0.19 0.00 0.10 0.00 0.00 66.02 66.39 3bl9 s SER 109 CO 0.00 -0.51 0.79 0.21 0.98 0.00 0.00 173.24 174.71 3bl9 s ASN 110 N -3.17 -1.01 1.86 7.02 3.84 0.15 -5.00 114.94 118.63 3bl9 s ASN 110 Ca 0.22 0.57 0.00 0.00 0.21 0.00 0.00 52.86 53.85 3bl9 s ASN 110 Cb 0.05 1.82 0.00 0.00 -0.55 0.00 0.00 41.25 42.58 3bl9 s ASN 110 CO 0.03 -0.19 0.00 -0.67 -2.79 0.00 0.00 177.10 173.48 3bl9 n ASP 111 N 5.43 0.00 -0.12 -4.21 2.03 -1.26 -1.62 116.55 116.80 3bl9 n ASP 111 Ca -0.02 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.42 3bl9 n ASP 111 Cb 0.53 0.00 0.70 0.00 -0.72 0.00 0.00 41.12 41.63 3bl9 n ASP 111 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3bl9 n ILE 112 N 0.00 0.02 -4.42 5.18 -5.35 -1.26 -4.84 119.36 108.69 3bl9 n ILE 112 Ca 0.00 -0.07 -0.35 0.00 -0.27 0.00 0.00 62.75 62.07 3bl9 n ILE 112 Cb 0.00 -0.21 -0.10 0.00 -1.74 0.00 0.00 39.64 37.59 3bl9 n ILE 112 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3bl9 s TYR 113 N -1.98 3.10 -0.04 4.28 1.51 -0.64 -5.11 117.35 118.47 3bl9 s TYR 113 Ca 0.38 0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 56.42 3bl9 s TYR 113 Cb 0.18 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 3bl9 s TYR 113 CO 0.30 0.37 0.27 -1.54 -1.11 0.00 0.00 175.55 173.84 3bl9 s SER 114 N -0.68 -0.18 0.03 2.29 1.04 -1.26 -0.67 113.70 114.26 3bl9 s SER 114 Ca 0.11 0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.76 3bl9 s SER 114 Cb -0.12 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3bl9 s SER 114 CO 0.02 -0.32 -0.12 0.28 0.98 0.00 0.00 173.24 174.08 3bl9 s THR 115 N -0.87 0.90 0.08 2.02 -1.32 -0.52 -5.01 115.64 110.92 3bl9 s THR 115 Ca -0.10 -0.87 -0.00 0.00 -1.21 0.00 0.00 61.69 59.51 3bl9 s THR 115 Cb -0.05 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 3bl9 s THR 115 CO 0.03 -0.03 -0.03 -0.31 -2.21 0.00 0.00 174.62 172.07 3bl9 s TYR 116 N -0.81 0.72 -0.20 9.09 1.51 -1.26 -0.01 117.35 126.40 3bl9 s TYR 116 Ca -0.00 -1.05 -0.12 0.00 -1.01 0.00 0.00 57.07 54.89 3bl9 s TYR 116 Cb -0.07 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 3bl9 s TYR 116 CO 0.01 -0.32 0.21 -1.01 -1.11 0.00 0.00 175.55 173.32 3bl9 s HIS 117 N -3.84 3.40 -0.10 2.71 3.76 0.25 -4.83 115.29 116.64 3bl9 s HIS 117 Ca 0.12 0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.47 3bl9 s HIS 117 Cb 0.07 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 3bl9 s HIS 117 CO -0.06 0.19 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.64 3bl9 s LEU 118 N 0.65 2.25 -0.53 0.89 2.96 -1.26 -0.56 118.68 123.08 3bl9 s LEU 118 Ca 0.11 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3bl9 s LEU 118 Cb -0.12 -1.46 0.14 0.00 0.50 0.00 0.00 46.19 45.25 3bl9 s LEU 118 CO 0.02 0.18 0.33 -0.36 -1.32 0.00 0.00 176.35 175.20 3bl9 s PHE 119 N 0.26 3.47 0.74 5.38 0.40 -0.44 -5.03 117.98 122.77 3bl9 s PHE 119 Ca -0.15 -2.63 -0.11 0.00 -0.60 0.00 0.00 56.93 53.45 3bl9 s PHE 119 Cb -0.17 -3.19 0.04 0.00 0.51 0.00 0.00 43.02 40.21 3bl9 s PHE 119 CO 0.07 -0.89 1.08 -2.14 0.70 0.00 0.00 175.22 174.04 3bl9 s PRO 120 N 0.41 2.53 1.07 0.24 0.02 -1.26 -4.32 135.00 133.69 3bl9 s PRO 120 Ca 0.13 0.81 -0.12 0.00 0.02 0.00 0.00 61.00 61.84 3bl9 s PRO 120 Cb -0.22 -1.96 0.23 0.00 0.02 0.00 0.00 34.50 32.58 3bl9 s PRO 120 CO -0.04 -1.35 1.06 -1.25 -0.33 0.00 0.00 177.00 175.10 3bl9 s PRO 121 N -5.09 -0.17 0.42 5.54 0.04 -1.26 -4.89 135.00 129.58 3bl9 s PRO 121 Ca 0.59 0.78 0.16 0.00 0.04 0.00 0.00 61.00 62.57 3bl9 s PRO 121 Cb -0.14 -1.65 1.05 0.00 0.04 0.00 0.00 34.50 33.80 3bl9 s PRO 121 CO 0.55 -3.21 1.89 0.07 0.04 0.00 0.00 177.00 176.34 3bl9 h ARG 122 N -2.25 0.42 0.00 4.56 0.11 -2.00 -2.31 114.38 112.91 3bl9 h ARG 122 Ca -0.57 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.48 3bl9 h ARG 122 Cb 1.32 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3bl9 h ARG 122 CO 0.53 0.28 0.00 1.96 0.10 0.00 0.00 179.97 182.83 3bl9 h GLN 123 N 0.43 0.00 -0.02 0.08 4.20 -2.03 -1.18 115.11 116.59 3bl9 h GLN 123 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 3bl9 h GLN 123 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3bl9 h GLN 123 CO -0.14 0.00 -0.13 1.28 -0.67 0.00 0.00 178.83 179.17 3bl9 n LEU 124 N -2.94 2.34 -0.61 1.46 4.32 -0.87 -4.51 117.00 116.18 3bl9 n LEU 124 Ca -0.00 -0.79 0.09 0.00 -0.02 0.00 0.00 56.01 55.29 3bl9 n LEU 124 Cb 0.21 -0.01 0.04 0.00 -1.62 0.00 0.00 43.42 42.05 3bl9 n LEU 124 CO 0.23 0.40 0.43 0.59 -1.22 0.00 0.00 177.39 177.82 3bl9 n ASN 125 N 0.65 2.24 -4.57 -1.43 3.02 -0.45 -4.90 115.26 109.83 3bl9 n ASN 125 Ca 0.14 -1.62 -0.52 0.00 -0.03 0.00 0.00 54.58 52.55 3bl9 n ASN 125 Cb 0.50 0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.83 3bl9 n ASN 125 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bl9 n ASP 126 N 0.57 1.27 -4.09 6.41 -0.08 -1.25 -4.98 116.55 114.40 3bl9 n ASP 126 Ca 0.10 1.13 -0.32 0.00 -1.51 0.00 0.00 54.79 54.18 3bl9 n ASP 126 Cb 0.44 -1.16 -0.16 0.00 2.34 0.00 0.00 41.12 42.58 3bl9 n ASP 126 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3bl9 s VAL 127 N 0.17 1.94 -0.07 5.18 1.01 -1.26 -3.66 120.40 123.71 3bl9 s VAL 127 Ca 0.81 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3bl9 s VAL 127 Cb -0.96 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3bl9 s VAL 127 CO 0.50 0.51 1.49 -0.75 0.00 0.00 0.00 175.10 176.85 3bl9 s LYS 128 N 1.34 4.22 -0.20 2.72 2.20 -0.16 -4.85 119.74 125.02 3bl9 s LYS 128 Ca 0.05 1.99 0.01 0.00 -0.36 0.00 0.00 55.97 57.66 3bl9 s LYS 128 Cb -0.13 -3.82 0.04 0.00 -1.51 0.00 0.00 37.83 32.42 3bl9 s LYS 128 CO -0.12 -0.74 -0.10 0.99 -0.36 0.00 0.00 175.35 175.02 3bl9 s THR 129 N 3.46 1.59 -0.18 3.43 2.01 -1.26 -0.80 115.64 123.89 3bl9 s THR 129 Ca 0.66 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3bl9 s THR 129 Cb -0.30 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3bl9 s THR 129 CO 0.25 0.16 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.39 3bl9 s THR 130 N 1.42 3.51 -0.13 -0.82 2.01 0.67 -4.95 115.64 117.35 3bl9 s THR 130 Ca -0.01 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3bl9 s THR 130 Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 3bl9 s THR 130 CO -0.08 0.47 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.52 3bl9 s VAL 131 N 0.83 3.25 -0.27 3.82 1.01 -1.26 -0.57 120.40 127.22 3bl9 s VAL 131 Ca -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3bl9 s VAL 131 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3bl9 s VAL 131 CO 0.01 0.52 -0.00 -0.69 0.00 0.00 0.00 175.10 174.94 3bl9 s VAL 132 N 0.33 3.27 -0.19 2.92 1.01 0.46 -5.01 120.40 123.19 3bl9 s VAL 132 Ca -0.09 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 3bl9 s VAL 132 Cb -0.15 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.60 3bl9 s VAL 132 CO 0.05 0.12 0.43 -0.47 0.00 0.00 0.00 175.10 175.23 3bl9 s TYR 133 N 1.38 -0.73 0.40 5.22 5.04 -1.26 -1.53 117.35 125.86 3bl9 s TYR 133 Ca 0.00 1.45 -0.24 0.00 -2.44 0.00 0.00 57.07 55.85 3bl9 s TYR 133 Cb -0.17 0.31 -0.09 0.00 0.35 0.00 0.00 41.96 42.36 3bl9 s TYR 133 CO -0.02 -0.42 1.05 -2.14 -1.34 0.00 0.00 175.55 172.68 3bl9 s PRO 134 N 1.98 4.17 -0.12 4.97 0.02 -1.26 -5.12 135.00 139.64 3bl9 s PRO 134 Ca -0.06 1.52 -0.18 0.00 0.02 0.00 0.00 61.00 62.29 3bl9 s PRO 134 Cb -0.10 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 3bl9 s PRO 134 CO -0.13 -0.14 0.49 0.00 -0.33 0.00 0.00 177.00 176.89 3bl9 s ALA 135 N -1.65 3.47 0.65 -1.55 0.00 0.31 -5.01 121.76 117.98 3bl9 s ALA 135 Ca 0.58 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 3bl9 s ALA 135 Cb -0.22 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.27 3bl9 s ALA 135 CO 0.28 -0.01 0.96 0.95 0.00 0.00 0.00 175.76 177.94 3bl9 s THR 136 N 0.65 2.90 0.47 0.00 -4.23 -1.26 -4.61 115.64 109.56 3bl9 s THR 136 Ca 0.26 -0.14 0.15 0.00 -1.18 0.00 0.00 61.69 60.78 3bl9 s THR 136 Cb -0.15 -3.21 0.31 0.00 1.34 0.00 0.00 72.50 70.80 3bl9 s THR 136 CO 0.11 -0.22 2.04 -0.08 -0.54 0.00 0.00 174.62 175.93 3bl9 h GLU 137 N -0.40 0.26 -0.55 3.99 4.57 -1.99 -1.64 114.58 118.81 3bl9 h GLU 137 Ca -0.45 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 3bl9 h GLU 137 Cb 1.29 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 3bl9 h GLU 137 CO 0.60 0.17 0.25 -0.22 -1.18 0.00 0.00 179.01 178.63 3bl9 h LYS 138 N 0.27 0.81 -0.03 1.92 1.63 -1.99 -0.86 116.57 118.32 3bl9 h LYS 138 Ca 0.18 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3bl9 h LYS 138 Cb 0.38 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3bl9 h LYS 138 CO -0.04 0.68 -0.01 0.45 -3.45 0.00 0.00 179.45 177.08 3bl9 h HIS 139 N 0.75 -0.02 -0.33 1.91 3.86 -1.69 -0.24 115.15 119.39 3bl9 h HIS 139 Ca 0.19 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3bl9 h HIS 139 Cb 0.15 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3bl9 h HIS 139 CO 0.00 -0.02 0.22 -0.07 0.86 0.00 0.00 177.93 178.92 3bl9 h LEU 140 N -0.01 0.36 0.03 2.43 3.38 -1.21 -2.05 115.31 118.25 3bl9 h LEU 140 Ca 0.02 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3bl9 h LEU 140 Cb 0.03 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bl9 h LEU 140 CO -0.04 0.26 -1.16 1.56 0.09 0.00 0.00 178.44 179.15 3bl9 h GLN 141 N 0.42 0.44 0.00 1.13 1.08 -0.83 -2.13 115.11 115.22 3bl9 h GLN 141 Ca 0.12 -0.59 -0.06 0.00 -1.45 0.00 0.00 58.65 56.67 3bl9 h GLN 141 Cb -0.01 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3bl9 h GLN 141 CO -0.03 1.24 -0.29 1.57 -0.95 0.00 0.00 178.83 180.38 3bl9 h LYS 142 N 0.19 0.00 0.00 1.46 2.10 -0.35 -3.24 116.57 116.73 3bl9 h LYS 142 Ca -0.14 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.18 3bl9 h LYS 142 Cb 1.83 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 33.10 3bl9 h LYS 142 CO 0.20 0.29 -2.11 0.66 -2.00 0.00 0.00 179.45 176.49 3bl9 n TYR 143 N -3.95 0.40 -1.81 0.07 0.53 -0.95 -4.97 117.16 106.47 3bl9 n TYR 143 Ca -0.02 0.14 -0.42 0.00 -1.02 0.00 0.00 57.90 56.59 3bl9 n TYR 143 Cb 0.36 -1.07 -0.03 0.00 -1.03 0.00 0.00 39.34 37.57 3bl9 n TYR 143 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3bl9 s LEU 144 N -5.71 4.37 -0.06 7.72 0.20 -0.80 -4.18 118.68 120.21 3bl9 s LEU 144 Ca -0.08 2.79 0.02 0.00 0.69 0.00 0.00 54.13 57.55 3bl9 s LEU 144 Cb 0.07 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.24 3bl9 s LEU 144 CO 0.83 -0.91 -0.11 0.00 -0.29 0.00 0.00 176.35 175.87 3bl9 s ARG 145 N 0.95 1.55 0.51 1.98 1.70 0.13 -4.97 118.95 120.79 3bl9 s ARG 145 Ca 0.72 -0.36 -0.22 0.00 -0.47 0.00 0.00 55.73 55.40 3bl9 s ARG 145 Cb -0.47 -1.31 -0.06 0.00 -0.57 0.00 0.00 34.95 32.54 3bl9 s ARG 145 CO 0.34 0.00 1.21 -0.65 -1.08 0.00 0.00 175.30 175.12 3bl9 s GLN 146 N 0.72 3.44 0.52 3.89 -1.52 -1.26 -4.72 119.66 120.73 3bl9 s GLN 146 Ca -0.14 1.86 -0.21 0.00 -1.95 0.00 0.00 55.36 54.92 3bl9 s GLN 146 Cb -0.16 -2.24 -0.06 0.00 -0.22 0.00 0.00 33.01 30.33 3bl9 s GLN 146 CO 0.03 -0.84 1.19 -0.51 -0.25 0.00 0.00 175.29 174.92 3bl9 s ASP 147 N -1.36 5.73 0.14 5.90 1.01 -1.26 -4.86 116.67 121.96 3bl9 s ASP 147 Ca 0.69 2.36 0.06 0.00 0.71 0.00 0.00 52.55 56.36 3bl9 s ASP 147 Cb -0.31 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 40.98 3bl9 s ASP 147 CO 0.36 -1.23 0.03 -0.76 0.21 0.00 0.00 175.17 173.79 3bl9 s LEU 148 N -3.50 3.49 0.02 1.23 1.43 -1.26 -0.95 118.68 119.14 3bl9 s LEU 148 Ca 0.70 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3bl9 s LEU 148 Cb -0.29 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 3bl9 s LEU 148 CO 0.34 0.12 -0.15 -0.13 0.23 0.00 0.00 176.35 176.76 3bl9 s ARG 149 N -2.74 1.06 0.15 1.70 1.81 0.12 -4.87 118.95 116.19 3bl9 s ARG 149 Ca 0.28 -0.70 -0.19 0.00 -1.72 0.00 0.00 55.73 53.39 3bl9 s ARG 149 Cb -0.10 -1.07 -0.07 0.00 -0.45 0.00 0.00 34.95 33.25 3bl9 s ARG 149 CO 0.20 0.28 0.64 -1.17 -0.68 0.00 0.00 175.30 174.56 3bl9 s LEU 150 N -0.89 4.43 0.01 2.53 2.96 -1.26 -0.48 118.68 125.99 3bl9 s LEU 150 Ca 0.04 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.29 3bl9 s LEU 150 Cb -0.07 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 3bl9 s LEU 150 CO 0.01 0.15 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.58 3bl9 s ILE 151 N -1.33 0.75 -0.37 6.68 1.10 0.65 -4.94 121.20 123.74 3bl9 s ILE 151 Ca 0.36 -0.65 -0.08 0.00 -0.51 0.00 0.00 60.65 59.77 3bl9 s ILE 151 Cb -0.18 -0.68 0.05 0.00 0.15 0.00 0.00 42.46 41.80 3bl9 s ILE 151 CO 0.21 0.03 0.16 -0.13 -2.11 0.00 0.00 174.94 173.10 3bl9 s ARG 152 N -0.69 2.63 -0.42 3.50 0.52 -1.26 -1.56 118.95 121.66 3bl9 s ARG 152 Ca 0.00 -1.25 -0.16 0.00 -0.52 0.00 0.00 55.73 53.80 3bl9 s ARG 152 Cb -0.06 -3.59 0.03 0.00 0.52 0.00 0.00 34.95 31.85 3bl9 s ARG 152 CO 0.00 -0.75 0.39 -2.00 0.02 0.00 0.00 175.30 172.96 3bl9 s GLU 153 N 1.43 3.04 0.87 3.54 2.12 0.29 -4.92 118.70 125.07 3bl9 s GLU 153 Ca 0.00 -0.89 -0.11 0.00 0.36 0.00 0.00 54.97 54.33 3bl9 s GLU 153 Cb -0.20 -3.99 0.12 0.00 0.26 0.00 0.00 34.13 30.32 3bl9 s GLU 153 CO 0.03 -0.84 1.09 0.95 -0.54 0.00 0.00 175.26 175.96 3bl9 s THR 154 N 1.95 2.78 0.27 -1.70 -4.23 -1.26 -1.36 115.64 112.08 3bl9 s THR 154 Ca 0.09 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3bl9 s THR 154 Cb -0.18 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.19 3bl9 s THR 154 CO 0.12 -0.33 1.78 1.23 -0.54 0.00 0.00 174.62 176.88 3bl9 h GLY 155 N -1.49 1.43 1.20 3.99 0.00 -1.69 -1.08 103.07 105.44 3bl9 h GLY 155 Ca -0.48 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.38 3bl9 h GLY 155 CO 0.53 0.01 -0.52 -0.55 0.00 0.00 0.00 176.54 176.02 3bl9 h ASP 156 N 0.71 0.93 -0.84 0.19 3.32 -1.88 -2.04 116.42 116.80 3bl9 h ASP 156 Ca 0.47 -0.48 0.08 0.00 0.02 0.00 0.00 57.03 57.11 3bl9 h ASP 156 Cb 0.61 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 3bl9 h ASP 156 CO -0.33 1.27 0.50 0.44 -1.72 0.00 0.00 179.24 179.40 3bl9 h ASP 157 N 0.65 0.75 0.15 6.45 3.32 -1.75 0.27 116.42 126.27 3bl9 h ASP 157 Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3bl9 h ASP 157 Cb 1.11 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3bl9 h ASP 157 CO 0.11 0.45 -0.07 0.22 -1.72 0.00 0.00 179.24 178.24 3bl9 h TYR 158 N 0.88 -0.19 -0.62 4.55 3.20 -1.02 0.47 116.97 124.23 3bl9 h TYR 158 Ca 0.39 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 3bl9 h TYR 158 Cb 0.28 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3bl9 h TYR 158 CO -0.05 -0.04 0.35 0.00 -1.64 0.00 0.00 178.16 176.79 3bl9 h ARG 159 N -0.30 0.87 0.00 1.82 3.08 -0.91 0.88 114.38 119.81 3bl9 h ARG 159 Ca -0.02 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 3bl9 h ARG 159 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3bl9 h ARG 159 CO 0.03 0.65 -1.44 0.09 -1.07 0.00 0.00 179.97 178.24 3bl9 n ASN 160 N -4.56 0.77 0.05 7.04 3.02 0.93 -4.43 115.26 118.07 3bl9 n ASN 160 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 3bl9 n ASN 160 Cb 0.08 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3bl9 n ASN 160 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3bl9 n ILE 161 N -2.82 0.94 0.16 2.41 5.41 0.07 -4.75 119.36 120.79 3bl9 n ILE 161 Ca -0.09 0.31 -0.14 0.00 1.00 0.00 0.00 62.75 63.83 3bl9 n ILE 161 Cb 0.80 -1.46 -0.08 0.00 -0.71 0.00 0.00 39.64 38.19 3bl9 n ILE 161 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3bl9 h THR 162 N 0.00 0.75 -0.24 1.39 2.02 -1.18 -2.19 112.91 113.46 3bl9 h THR 162 Ca 0.00 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.78 3bl9 h THR 162 Cb 0.13 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3bl9 h THR 162 CO 0.00 0.09 0.03 0.25 0.37 0.00 0.00 175.52 176.26 3bl9 h LEU 163 N -0.62 -0.02 -1.32 2.58 6.46 -1.06 -0.10 115.31 121.23 3bl9 h LEU 163 Ca -0.04 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3bl9 h LEU 163 Cb 0.44 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 3bl9 h LEU 163 CO 0.06 0.02 0.49 -0.65 -0.62 0.00 0.00 178.44 177.75 3bl9 h PRO 164 N 0.12 0.84 -0.60 5.25 0.11 -1.77 -0.03 132.00 135.93 3bl9 h PRO 164 Ca 0.11 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3bl9 h PRO 164 Cb 0.12 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3bl9 h PRO 164 CO -0.16 0.56 0.14 1.25 -0.21 0.00 0.00 178.00 179.58 3bl9 h HIS 165 N 0.87 1.00 -0.63 0.65 -0.00 -0.63 -1.10 115.15 115.30 3bl9 h HIS 165 Ca 0.31 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 3bl9 h HIS 165 Cb 0.12 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 3bl9 h HIS 165 CO -0.00 0.85 0.26 -0.07 -0.00 0.00 0.00 177.93 178.97 3bl9 h LEU 166 N 0.86 0.87 -1.74 0.26 4.07 -0.46 -2.69 115.31 116.49 3bl9 h LEU 166 Ca 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3bl9 h LEU 166 Cb 0.35 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 3bl9 h LEU 166 CO 0.00 0.80 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.80 3bl9 h GLU 167 N 0.89 0.00 0.00 1.13 5.08 -0.75 -1.71 114.58 119.21 3bl9 h GLU 167 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3bl9 h GLU 167 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3bl9 h GLU 167 CO -0.02 0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3bl9 n SER 168 N -3.16 0.56 -4.88 1.42 3.41 -0.44 -4.80 113.62 105.73 3bl9 n SER 168 Ca -0.00 0.61 -0.24 0.00 -0.26 0.00 0.00 58.87 58.97 3bl9 n SER 168 Cb 0.27 -0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 3bl9 n SER 168 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3bl9 s GLN 169 N -3.19 3.17 -0.35 4.33 -0.21 -0.65 -5.09 119.66 117.67 3bl9 s GLN 169 Ca 0.07 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.69 3bl9 s GLN 169 Cb 0.11 -2.77 0.10 0.00 1.00 0.00 0.00 33.01 31.45 3bl9 s GLN 169 CO 0.44 0.47 0.07 0.45 -2.12 0.00 0.00 175.29 174.60 3bl9 s SER 170 N -3.44 4.67 -0.16 5.90 0.15 -1.26 -5.02 113.70 114.54 3bl9 s SER 170 Ca 0.33 -2.19 -0.01 0.00 0.70 0.00 0.00 55.95 54.78 3bl9 s SER 170 Cb -0.10 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 3bl9 s SER 170 CO 0.26 -0.37 -0.11 -0.76 1.20 0.00 0.00 173.24 173.46 3bl9 s LEU 171 N 0.86 2.72 0.01 3.45 1.43 -1.26 -5.10 118.68 120.79 3bl9 s LEU 171 Ca 0.11 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.61 3bl9 s LEU 171 Cb -0.19 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3bl9 s LEU 171 CO -0.09 0.10 0.72 -0.55 0.23 0.00 0.00 176.35 176.77 3bl9 s SER 172 N 0.74 7.12 -0.25 2.29 0.15 -1.26 -4.94 113.70 117.55 3bl9 s SER 172 Ca -0.05 1.34 0.10 0.00 0.70 0.00 0.00 55.95 58.04 3bl9 s SER 172 Cb -0.15 -2.44 0.46 0.00 -1.71 0.00 0.00 66.02 62.18 3bl9 s SER 172 CO 0.02 -0.00 1.34 2.30 1.20 0.00 0.00 173.24 178.09 3bl9 n ILE 173 N 3.04 2.37 0.18 6.45 -5.35 -1.26 -4.79 119.36 120.01 3bl9 n ILE 173 Ca -0.03 -2.98 0.06 0.00 -0.27 0.00 0.00 62.75 59.53 3bl9 n ILE 173 Cb 0.51 -0.28 0.52 0.00 -1.74 0.00 0.00 39.64 38.65 3bl9 n ILE 173 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3bl9 h GLN 174 N 0.99 0.13 -0.58 6.28 5.75 -2.00 0.11 115.11 125.78 3bl9 h GLN 174 Ca 0.11 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 3bl9 h GLN 174 Cb 1.32 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 3bl9 h GLN 174 CO 0.19 0.17 0.39 0.11 -2.65 0.00 0.00 178.83 177.04 3bl9 h TRP 175 N 0.13 0.61 0.09 3.99 5.08 -2.00 0.17 115.95 124.02 3bl9 h TRP 175 Ca 0.03 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 3bl9 h TRP 175 Cb 0.14 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 26.10 3bl9 h TRP 175 CO 0.00 0.34 -0.04 0.28 -1.28 0.00 0.00 178.44 177.74 3bl9 h VAL 176 N 0.62 1.11 -0.84 0.12 2.07 -1.18 -2.74 116.25 115.41 3bl9 h VAL 176 Ca 0.24 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3bl9 h VAL 176 Cb 0.18 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3bl9 h VAL 176 CO -0.07 0.18 0.55 1.88 0.02 0.00 0.00 177.57 180.14 3bl9 h TYR 177 N -0.47 1.01 -0.38 1.57 0.99 -1.15 -1.17 116.97 117.38 3bl9 h TYR 177 Ca -0.01 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 3bl9 h TYR 177 Cb 0.39 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 37.77 3bl9 h TYR 177 CO 0.04 0.59 0.12 -0.91 -0.00 0.00 0.00 178.16 178.00 3bl9 h ASN 178 N 1.05 0.49 -0.09 3.88 2.35 -0.89 0.73 115.58 123.10 3bl9 h ASN 178 Ca 0.33 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3bl9 h ASN 178 Cb 0.02 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3bl9 h ASN 178 CO -0.10 0.48 -0.19 0.40 -1.65 0.00 0.00 177.43 176.37 3bl9 h ILE 179 N 0.54 1.41 -0.67 2.81 2.04 -1.05 0.96 117.51 123.53 3bl9 h ILE 179 Ca 0.13 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 3bl9 h ILE 179 Cb 0.16 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3bl9 h ILE 179 CO -0.01 0.43 0.36 -0.07 0.00 0.00 0.00 178.15 178.86 3bl9 h LEU 180 N -0.19 0.83 -0.32 1.44 3.38 -0.89 -1.53 115.31 118.03 3bl9 h LEU 180 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3bl9 h LEU 180 Cb 0.79 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3bl9 h LEU 180 CO 0.04 0.67 -0.04 0.47 0.09 0.00 0.00 178.44 179.68 3bl9 n ASP 181 N -4.37 0.53 -1.83 -0.43 8.00 0.22 -4.93 116.55 113.74 3bl9 n ASP 181 Ca 0.07 -0.95 -0.14 0.00 0.71 0.00 0.00 54.79 54.47 3bl9 n ASP 181 Cb 0.10 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 3bl9 n ASP 181 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bl9 n LYS 182 N -0.70 -2.23 0.01 -1.24 4.76 -0.58 -4.91 118.16 113.27 3bl9 n LYS 182 Ca 0.19 0.63 -0.01 0.00 -2.87 0.00 0.00 58.31 56.26 3bl9 n LYS 182 Cb 0.23 -4.88 -0.10 0.00 -1.84 0.00 0.00 35.03 28.45 3bl9 n LYS 182 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3bl9 n LYS 183 N -2.63 0.63 -3.98 1.97 5.02 0.30 -4.78 118.16 114.69 3bl9 n LYS 183 Ca -0.12 0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 3bl9 n LYS 183 Cb 0.60 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 3bl9 n LYS 183 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bl9 s ALA 184 N -2.90 0.18 -1.43 7.82 0.00 -1.03 -4.90 121.76 119.51 3bl9 s ALA 184 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3bl9 s ALA 184 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3bl9 s ALA 184 CO 0.82 -0.07 0.00 0.39 0.00 0.00 0.00 175.76 176.90 3bl9 n GLU 185 N 2.09 -1.52 0.18 0.00 1.02 -1.26 -4.16 120.64 116.99 3bl9 n GLU 185 Ca -0.20 0.96 0.15 0.00 -0.02 0.00 0.00 57.16 58.05 3bl9 n GLU 185 Cb 0.57 -5.32 0.73 0.00 -0.02 0.00 0.00 31.44 27.40 3bl9 n GLU 185 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bl9 h ALA 186 N 0.00 2.04 0.00 0.62 0.00 -1.89 -0.90 119.26 119.13 3bl9 h ALA 186 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3bl9 h ALA 186 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3bl9 h ALA 186 CO 0.40 -0.26 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3bl9 n ASP 187 N -4.22 0.70 0.01 0.00 5.75 -1.26 -3.34 116.55 114.18 3bl9 n ASP 187 Ca 0.02 0.63 0.11 0.00 -0.01 0.00 0.00 54.79 55.53 3bl9 n ASP 187 Cb 0.30 -0.79 -0.01 0.00 -1.03 0.00 0.00 41.12 39.59 3bl9 n ASP 187 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bl9 n ARG 188 N -2.22 0.13 -2.08 0.11 1.74 -0.35 -4.94 116.66 109.06 3bl9 n ARG 188 Ca 0.04 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 3bl9 n ARG 188 Cb 0.31 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3bl9 n ARG 188 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3bl9 s ILE 189 N -3.10 3.03 -0.15 0.55 1.01 -1.21 -4.29 121.20 117.05 3bl9 s ILE 189 Ca 0.06 0.75 0.09 0.00 0.00 0.00 0.00 60.65 61.55 3bl9 s ILE 189 Cb 0.16 -3.48 -0.23 0.00 0.01 0.00 0.00 42.46 38.92 3bl9 s ILE 189 CO 0.82 0.06 0.25 0.52 0.00 0.00 0.00 174.94 176.59 3bl9 n VAL 190 N 3.88 1.54 -3.70 2.92 0.31 0.39 -4.98 118.33 118.68 3bl9 n VAL 190 Ca 0.12 -0.75 -0.14 0.00 -0.01 0.00 0.00 64.34 63.56 3bl9 n VAL 190 Cb 0.41 -1.03 -0.09 0.00 -0.91 0.00 0.00 33.84 32.23 3bl9 n VAL 190 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3bl9 s PHE 191 N -2.54 -0.38 -0.04 3.52 5.36 -1.20 -5.01 117.98 117.69 3bl9 s PHE 191 Ca -0.15 0.78 -0.01 0.00 -0.96 0.00 0.00 56.93 56.59 3bl9 s PHE 191 Cb 0.07 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 3bl9 s PHE 191 CO 0.78 -0.37 0.08 -2.00 -1.46 0.00 0.00 175.22 172.25 3bl9 s GLU 192 N -0.70 0.02 -0.41 10.12 2.12 -1.26 -0.27 118.70 128.32 3bl9 s GLU 192 Ca -0.08 0.27 -0.15 0.00 0.36 0.00 0.00 54.97 55.38 3bl9 s GLU 192 Cb -0.04 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.15 3bl9 s GLU 192 CO 0.04 -0.17 0.30 1.21 -0.54 0.00 0.00 175.26 176.09 3bl9 s ASN 193 N 1.14 6.09 0.00 -1.70 3.84 0.02 -4.98 114.94 119.36 3bl9 s ASN 193 Ca -0.09 -0.90 0.30 0.00 0.21 0.00 0.00 52.86 52.38 3bl9 s ASN 193 Cb -0.12 -2.15 1.73 0.00 -0.55 0.00 0.00 41.25 40.16 3bl9 s ASN 193 CO -0.04 -0.45 2.11 -0.81 -2.79 0.00 0.00 177.10 175.12 3bl9 n PRO 194 N 5.15 0.83 -1.71 0.43 -0.04 -1.26 -0.77 135.00 137.63 3bl9 n PRO 194 Ca -0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 3bl9 n PRO 194 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 3bl9 n PRO 194 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3bl9 n ASP 195 N -1.07 3.81 0.13 3.54 -0.08 -1.26 -4.88 116.55 116.75 3bl9 n ASP 195 Ca 0.21 1.06 0.12 0.00 -1.51 0.00 0.00 54.79 54.67 3bl9 n ASP 195 Cb 0.13 -1.54 0.48 0.00 2.34 0.00 0.00 41.12 42.54 3bl9 n ASP 195 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3bl9 n PRO 196 N 3.92 0.22 -0.13 -0.67 -0.04 -1.26 -0.79 135.00 136.25 3bl9 n PRO 196 Ca 0.16 0.40 -0.25 0.00 -0.04 0.00 0.00 63.50 63.77 3bl9 n PRO 196 Cb 0.34 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 3bl9 n PRO 196 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3bl9 n SER 197 N -2.30 1.94 -0.49 3.54 2.88 -1.26 -3.31 113.62 114.62 3bl9 n SER 197 Ca 0.03 0.17 0.06 0.00 -1.33 0.00 0.00 58.87 57.79 3bl9 n SER 197 Cb 0.27 -0.65 0.14 0.00 -0.75 0.00 0.00 64.21 63.23 3bl9 n SER 197 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3bl9 n ASP 198 N -3.86 2.88 -4.99 -3.46 8.00 -1.23 -4.47 116.55 109.42 3bl9 n ASP 198 Ca -0.49 -2.36 -0.20 0.00 0.71 0.00 0.00 54.79 52.44 3bl9 n ASP 198 Cb 0.90 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.76 3bl9 n ASP 198 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bl9 s GLY 199 N -1.43 1.92 0.03 0.44 0.00 0.03 -4.41 107.32 103.90 3bl9 s GLY 199 Ca 0.23 -1.88 -0.28 0.00 0.00 0.00 0.00 44.72 42.79 3bl9 s GLY 199 CO 0.09 -1.69 0.97 -0.11 0.00 0.00 0.00 173.10 172.36 3bl9 s PHE 200 N -2.60 -0.23 0.03 1.90 -0.12 0.05 -1.18 117.98 115.83 3bl9 s PHE 200 Ca 0.55 0.05 0.08 0.00 -0.05 0.00 0.00 56.93 57.55 3bl9 s PHE 200 Cb -0.06 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 3bl9 s PHE 200 CO 0.34 -0.59 -0.23 0.08 -0.05 0.00 0.00 175.22 174.77 3bl9 s VAL 201 N -3.06 2.43 -0.18 -2.49 1.01 -0.53 -0.80 120.40 116.79 3bl9 s VAL 201 Ca 0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 3bl9 s VAL 201 Cb -0.01 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3bl9 s VAL 201 CO -0.04 0.39 -0.09 -0.22 0.00 0.00 0.00 175.10 175.13 3bl9 s LEU 202 N -1.24 2.77 -0.01 3.92 2.96 0.63 -1.22 118.68 126.49 3bl9 s LEU 202 Ca 0.13 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3bl9 s LEU 202 Cb -0.10 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3bl9 s LEU 202 CO 0.03 0.06 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.59 3bl9 s ILE 203 N 0.98 0.18 0.63 6.68 2.07 -0.48 -0.46 121.20 130.79 3bl9 s ILE 203 Ca -0.01 -0.04 -0.18 0.00 -1.41 0.00 0.00 60.65 59.01 3bl9 s ILE 203 Cb -0.15 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.23 3bl9 s ILE 203 CO -0.01 0.08 1.25 -2.84 -1.91 0.00 0.00 174.94 171.52 3bl9 s PRO 204 N 0.28 2.70 0.47 3.50 0.02 -1.26 -0.38 135.00 140.34 3bl9 s PRO 204 Ca -0.02 1.95 -0.24 0.00 0.02 0.00 0.00 61.00 62.71 3bl9 s PRO 204 Cb -0.05 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 3bl9 s PRO 204 CO -0.01 -1.45 1.28 0.34 -0.33 0.00 0.00 177.00 176.84 3bl9 s ASP 205 N -1.51 5.89 0.42 2.53 -1.08 0.06 -4.76 116.67 118.22 3bl9 s ASP 205 Ca 0.80 2.59 0.12 0.00 -0.52 0.00 0.00 52.55 55.54 3bl9 s ASP 205 Cb -0.34 -2.63 0.92 0.00 -1.46 0.00 0.00 42.92 39.41 3bl9 s ASP 205 CO 0.37 -1.13 1.98 -0.07 0.52 0.00 0.00 175.17 176.84 3bl9 h LEU 206 N 2.05 0.15 -0.49 -1.34 4.07 -1.93 -2.22 115.31 115.60 3bl9 h LEU 206 Ca -0.50 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.44 3bl9 h LEU 206 Cb 1.27 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3bl9 h LEU 206 CO 0.60 0.27 -0.09 0.29 -1.08 0.00 0.00 178.44 178.43 3bl9 n LYS 207 N -4.34 1.08 -3.02 1.13 5.02 -1.26 -4.68 118.16 112.09 3bl9 n LYS 207 Ca -0.01 -0.49 -0.43 0.00 -2.02 0.00 0.00 58.31 55.36 3bl9 n LYS 207 Cb 0.22 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3bl9 n LYS 207 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3bl9 s TRP 208 N -2.25 2.97 -1.95 2.13 -0.00 -0.84 -4.94 118.94 114.06 3bl9 s TRP 208 Ca 0.34 -0.14 0.14 0.00 -0.00 0.00 0.00 56.10 56.44 3bl9 s TRP 208 Cb 0.20 -3.67 0.82 0.00 -0.00 0.00 0.00 33.47 30.83 3bl9 s TRP 208 CO 0.42 -1.08 1.26 0.27 -0.00 0.00 0.00 176.95 177.83 3bl9 n ASN 209 N 6.66 0.00 -2.09 5.86 2.04 -1.26 -4.84 115.26 121.64 3bl9 n ASN 209 Ca -0.01 -0.39 -0.17 0.00 -0.44 0.00 0.00 54.58 53.57 3bl9 n ASN 209 Cb 0.47 -0.02 -0.03 0.00 -2.53 0.00 0.00 39.78 37.67 3bl9 n ASN 209 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3bl9 n GLN 210 N -1.02 -1.75 0.05 -3.83 6.02 -1.26 -4.84 117.38 110.75 3bl9 n GLN 210 Ca 0.10 0.87 0.11 0.00 -0.01 0.00 0.00 57.00 58.07 3bl9 n GLN 210 Cb 0.05 -5.39 -0.02 0.00 1.02 0.00 0.00 30.24 25.91 3bl9 n GLN 210 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3bl9 n GLN 211 N -2.63 0.48 -3.76 -1.09 -0.06 -1.26 -4.93 117.38 104.13 3bl9 n GLN 211 Ca -0.19 0.01 -0.10 0.00 -2.00 0.00 0.00 57.00 54.72 3bl9 n GLN 211 Cb 0.61 -1.67 -0.05 0.00 -4.06 0.00 0.00 30.24 25.08 3bl9 n GLN 211 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 3bl9 s GLN 212 N -3.32 1.23 0.01 3.69 0.00 -1.26 -5.06 119.66 114.95 3bl9 s GLN 212 Ca -0.00 -0.89 0.26 0.00 -0.00 0.00 0.00 55.36 54.73 3bl9 s GLN 212 Cb 0.13 0.47 0.72 0.00 0.00 0.00 0.00 33.01 34.33 3bl9 s GLN 212 CO 0.82 -0.49 1.57 1.28 0.00 0.00 0.00 175.29 178.46 3bl9 n LEU 213 N -0.27 0.37 -0.12 2.60 4.77 -1.26 -4.29 117.00 118.79 3bl9 n LEU 213 Ca -0.11 0.18 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 3bl9 n LEU 213 Cb 0.63 -0.32 0.33 0.00 -2.33 0.00 0.00 43.42 41.73 3bl9 n LEU 213 CO 0.19 0.07 1.21 0.44 -1.33 0.00 0.00 177.39 177.96 3bl9 h ASP 214 N 0.00 0.68 -0.22 -1.43 3.32 -2.00 -2.72 116.42 114.04 3bl9 h ASP 214 Ca 0.00 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3bl9 h ASP 214 Cb 0.52 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 3bl9 h ASP 214 CO 0.00 0.49 -0.24 -0.90 -1.72 0.00 0.00 179.24 176.87 3bl9 n ASP 215 N -4.45 2.17 -4.67 6.45 3.85 -1.26 -3.80 116.55 114.83 3bl9 n ASP 215 Ca 0.06 -3.84 -0.44 0.00 -0.71 0.00 0.00 54.79 49.86 3bl9 n ASP 215 Cb 0.06 -0.60 -0.02 0.00 -1.35 0.00 0.00 41.12 39.21 3bl9 n ASP 215 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3bl9 n LEU 216 N -1.13 3.13 -3.19 -2.12 0.00 -1.03 -4.86 117.00 107.80 3bl9 n LEU 216 Ca 0.28 1.16 0.04 0.00 0.00 0.00 0.00 56.01 57.49 3bl9 n LEU 216 Cb 0.91 -1.43 -0.01 0.00 0.00 0.00 0.00 43.42 42.89 3bl9 n LEU 216 CO 0.11 -0.54 0.27 -0.47 0.00 0.00 0.00 177.39 176.75 3bl9 s TYR 217 N -0.37 -1.35 0.23 1.96 6.04 -1.25 -1.18 117.35 121.43 3bl9 s TYR 217 Ca 0.65 1.52 0.08 0.00 0.04 0.00 0.00 57.07 59.36 3bl9 s TYR 217 Cb -0.63 0.51 -0.05 0.00 -1.04 0.00 0.00 41.96 40.74 3bl9 s TYR 217 CO 0.53 -0.73 -0.13 -0.51 -1.54 0.00 0.00 175.55 173.17 3bl9 s LEU 218 N 2.87 2.55 -0.06 6.97 1.02 0.12 -0.76 118.68 131.38 3bl9 s LEU 218 Ca 0.14 -1.06 0.03 0.00 0.02 0.00 0.00 54.13 53.26 3bl9 s LEU 218 Cb -0.14 -0.72 0.01 0.00 0.02 0.00 0.00 46.19 45.37 3bl9 s LEU 218 CO -0.19 -0.18 -0.15 -0.63 0.02 0.00 0.00 176.35 175.22 3bl9 s ILE 219 N -2.93 1.31 -0.18 -0.59 1.01 0.49 -0.58 121.20 119.73 3bl9 s ILE 219 Ca 0.25 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 3bl9 s ILE 219 Cb -0.00 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3bl9 s ILE 219 CO 0.09 0.39 0.32 0.00 0.00 0.00 0.00 174.94 175.74 3bl9 s ALA 220 N 0.47 3.58 -0.16 9.38 0.00 0.31 -1.38 121.76 133.95 3bl9 s ALA 220 Ca -0.12 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3bl9 s ALA 220 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.51 3bl9 s ALA 220 CO 0.04 -0.08 -0.19 0.42 0.00 0.00 0.00 175.76 175.95 3bl9 s ILE 221 N 0.84 2.30 0.47 0.00 1.01 -0.36 -0.84 121.20 124.63 3bl9 s ILE 221 Ca 0.16 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 3bl9 s ILE 221 Cb -0.14 -1.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 3bl9 s ILE 221 CO 0.05 0.53 1.10 0.00 0.00 0.00 0.00 174.94 176.62 3bl9 h HIS 223 N 1.85 0.89 -3.23 0.00 3.86 -1.44 -3.45 115.15 113.62 3bl9 h HIS 223 Ca -0.49 -0.30 -0.54 0.00 -1.16 0.00 0.00 60.37 57.88 3bl9 h HIS 223 Cb 1.24 -0.18 0.09 0.00 1.06 0.00 0.00 27.41 29.62 3bl9 h HIS 223 CO 0.55 1.07 0.85 -2.13 0.86 0.00 0.00 177.93 179.12 3bl9 n ARG 224 N -4.00 2.62 -3.62 2.45 0.63 -1.21 -4.98 116.66 108.56 3bl9 n ARG 224 Ca -0.03 0.93 -0.29 0.00 -0.92 0.00 0.00 57.85 57.54 3bl9 n ARG 224 Cb 0.59 -2.70 -0.04 0.00 0.45 0.00 0.00 32.46 30.76 3bl9 n ARG 224 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3bl9 s ARG 225 N -0.56 3.57 0.00 -0.14 1.81 -1.26 -4.55 118.95 117.82 3bl9 s ARG 225 Ca 0.64 -0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.45 3bl9 s ARG 225 Cb -0.51 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 3bl9 s ARG 225 CO 0.49 0.38 0.00 0.41 -0.68 0.00 0.00 175.30 175.91 3bl9 n GLY 226 N -0.49 0.69 3.39 -3.53 0.00 -1.26 -5.02 105.19 98.97 3bl9 n GLY 226 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 3bl9 n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bl9 s ILE 227 N -2.34 4.72 0.12 -0.61 1.01 -1.26 -4.93 121.20 117.91 3bl9 s ILE 227 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3bl9 s ILE 227 Cb 0.00 -4.53 -0.21 0.00 0.01 0.00 0.00 42.46 37.73 3bl9 s ILE 227 CO 0.00 -1.20 1.28 0.03 0.00 0.00 0.00 174.94 175.05 3bl9 h ARG 228 N 9.26 0.21 0.00 2.79 3.08 -1.95 0.14 114.38 127.92 3bl9 h ARG 228 Ca -0.29 -0.29 0.19 0.00 0.07 0.00 0.00 59.98 59.66 3bl9 h ARG 228 Cb 1.08 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 3bl9 h ARG 228 CO 1.12 1.06 0.61 -1.13 -1.07 0.00 0.00 179.97 180.57 3bl9 n SER 229 N -3.58 -1.47 -0.33 7.04 3.41 -1.26 -3.41 113.62 114.02 3bl9 n SER 229 Ca -0.05 -1.68 0.23 0.00 -0.26 0.00 0.00 58.87 57.11 3bl9 n SER 229 Cb 0.90 2.37 0.44 0.00 -0.26 0.00 0.00 64.21 67.66 3bl9 n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bl9 n LEU 230 N 0.00 0.12 0.34 1.04 4.32 -1.26 -1.23 117.00 120.33 3bl9 n LEU 230 Ca -0.00 1.66 0.22 0.00 -0.02 0.00 0.00 56.01 57.87 3bl9 n LEU 230 Cb 0.53 -0.71 1.20 0.00 -1.62 0.00 0.00 43.42 42.83 3bl9 n LEU 230 CO 0.18 -1.77 1.18 0.03 -1.22 0.00 0.00 177.39 175.80 3bl9 h ARG 231 N 0.00 0.00 -0.00 3.23 2.47 -1.95 -2.07 114.38 116.05 3bl9 h ARG 231 Ca 0.72 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.44 3bl9 h ARG 231 Cb 1.74 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.06 3bl9 h ARG 231 CO -0.84 0.00 -0.36 -0.25 0.56 0.00 0.00 179.97 179.08 3bl9 n ASP 232 N -3.13 0.77 -4.72 7.04 8.00 -0.36 -4.50 116.55 119.65 3bl9 n ASP 232 Ca -0.03 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 3bl9 n ASP 232 Cb 0.08 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3bl9 n ASP 232 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bl9 s LEU 233 N -2.72 4.41 0.26 0.64 1.43 -0.78 -5.02 118.68 116.90 3bl9 s LEU 233 Ca 0.19 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 3bl9 s LEU 233 Cb 0.18 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 3bl9 s LEU 233 CO 0.60 -0.30 0.10 0.42 0.23 0.00 0.00 176.35 177.40 3bl9 s THR 234 N 0.66 0.51 0.65 5.49 -4.23 -1.26 -4.66 115.64 112.79 3bl9 s THR 234 Ca 0.53 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.33 3bl9 s THR 234 Cb -0.26 -2.62 0.32 0.00 1.34 0.00 0.00 72.50 71.28 3bl9 s THR 234 CO 0.30 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.64 3bl9 h PRO 235 N 2.37 0.00 -0.20 3.99 0.11 -1.86 -0.49 132.00 135.92 3bl9 h PRO 235 Ca -0.38 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.79 3bl9 h PRO 235 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3bl9 h PRO 235 CO 0.60 0.00 0.17 1.49 -0.21 0.00 0.00 178.00 180.04 3bl9 h GLU 236 N 0.00 0.00 -0.05 1.05 4.81 -1.97 -1.82 114.58 116.59 3bl9 h GLU 236 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3bl9 h GLU 236 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3bl9 h GLU 236 CO -0.00 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 3bl9 n HIS 237 N -4.21 0.05 -0.12 0.92 8.25 -0.19 -4.51 115.22 115.40 3bl9 n HIS 237 Ca 0.02 -0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3bl9 n HIS 237 Cb 0.31 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.45 3bl9 n HIS 237 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3bl9 h LEU 238 N 2.91 0.03 -0.50 2.41 3.38 -1.43 -1.33 115.31 120.78 3bl9 h LEU 238 Ca 0.00 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.13 3bl9 h LEU 238 Cb 0.62 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 3bl9 h LEU 238 CO 0.00 0.05 0.01 -0.65 0.09 0.00 0.00 178.44 177.94 3bl9 h PRO 239 N 0.22 0.12 0.03 1.13 0.11 -1.82 0.19 132.00 131.99 3bl9 h PRO 239 Ca 0.19 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.31 3bl9 h PRO 239 Cb 0.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3bl9 h PRO 239 CO -0.25 0.08 -0.12 1.25 -0.21 0.00 0.00 178.00 178.76 3bl9 h LEU 240 N 0.13 -0.33 -0.63 2.35 5.85 -1.71 -0.69 115.31 120.27 3bl9 h LEU 240 Ca 0.25 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 3bl9 h LEU 240 Cb 0.38 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3bl9 h LEU 240 CO -0.41 -0.17 0.29 -0.07 -0.34 0.00 0.00 178.44 177.73 3bl9 h LEU 241 N -0.22 0.84 -0.78 2.25 3.38 -0.84 -0.33 115.31 119.61 3bl9 h LEU 241 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3bl9 h LEU 241 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3bl9 h LEU 241 CO -0.10 0.75 0.43 0.03 0.09 0.00 0.00 178.44 179.64 3bl9 h ARG 242 N 0.87 1.09 -0.30 1.13 3.08 -0.45 -2.03 114.38 117.77 3bl9 h ARG 242 Ca 0.21 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3bl9 h ARG 242 Cb 0.14 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3bl9 h ARG 242 CO -0.02 0.80 0.16 -0.91 -1.07 0.00 0.00 179.97 178.92 3bl9 h ASN 243 N 1.09 0.23 -0.29 7.04 2.35 -0.59 0.13 115.58 125.54 3bl9 h ASN 243 Ca 0.28 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 3bl9 h ASN 243 Cb 0.03 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3bl9 h ASN 243 CO -0.05 0.17 0.13 0.40 -1.65 0.00 0.00 177.43 176.44 3bl9 h ILE 244 N 0.32 0.97 0.33 2.81 2.04 -0.79 0.04 117.51 123.23 3bl9 h ILE 244 Ca 0.13 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3bl9 h ILE 244 Cb 0.04 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3bl9 h ILE 244 CO -0.08 0.05 -0.16 0.25 0.00 0.00 0.00 178.15 178.21 3bl9 h LEU 245 N 0.28 -0.38 0.01 1.44 5.85 -1.17 -1.15 115.31 120.19 3bl9 h LEU 245 Ca 0.12 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3bl9 h LEU 245 Cb 0.06 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3bl9 h LEU 245 CO -0.10 -0.11 -0.00 0.45 -0.34 0.00 0.00 178.44 178.33 3bl9 h HIS 246 N -0.64 -0.01 -0.51 1.25 3.86 -0.93 -2.40 115.15 115.77 3bl9 h HIS 246 Ca -0.05 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 3bl9 h HIS 246 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 3bl9 h HIS 246 CO -0.01 0.80 -0.04 1.96 0.86 0.00 0.00 177.93 181.50 3bl9 h GLN 247 N -0.89 0.88 -0.37 2.45 4.20 -1.14 -1.45 115.11 118.80 3bl9 h GLN 247 Ca -0.00 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3bl9 h GLN 247 Cb 0.82 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3bl9 h GLN 247 CO 0.00 0.91 0.15 0.78 -0.67 0.00 0.00 178.83 180.00 3bl9 h GLY 248 N 0.98 0.60 1.00 3.46 0.00 -1.19 0.07 103.07 107.99 3bl9 h GLY 248 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3bl9 h GLY 248 CO 0.03 0.31 0.12 1.46 0.00 0.00 0.00 176.54 178.46 3bl9 h GLN 249 N 0.45 0.89 -0.67 4.80 4.20 -1.33 -2.32 115.11 121.14 3bl9 h GLN 249 Ca 0.12 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.62 3bl9 h GLN 249 Cb 0.19 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3bl9 h GLN 249 CO -0.01 0.85 0.44 1.49 -0.67 0.00 0.00 178.83 180.92 3bl9 h GLU 250 N 0.79 0.89 -0.81 1.46 4.57 -1.12 -0.98 114.58 119.37 3bl9 h GLU 250 Ca 0.17 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3bl9 h GLU 250 Cb 0.36 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3bl9 h GLU 250 CO 0.00 0.59 0.38 0.00 -1.18 0.00 0.00 179.01 178.81 3bl9 h ALA 251 N 1.24 1.15 -0.28 2.92 0.00 -0.75 -1.14 119.26 122.39 3bl9 h ALA 251 Ca 0.24 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3bl9 h ALA 251 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3bl9 h ALA 251 CO -0.05 0.64 -0.38 0.82 0.00 0.00 0.00 179.25 180.28 3bl9 h ILE 252 N 1.15 1.29 -0.25 0.00 2.04 -1.15 -0.14 117.51 120.45 3bl9 h ILE 252 Ca 0.28 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3bl9 h ILE 252 Cb 0.13 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3bl9 h ILE 252 CO -0.03 0.49 0.15 0.25 0.00 0.00 0.00 178.15 179.01 3bl9 h LEU 253 N 0.54 0.31 -0.04 1.44 5.85 -0.80 -0.69 115.31 121.91 3bl9 h LEU 253 Ca 0.05 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3bl9 h LEU 253 Cb 0.89 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3bl9 h LEU 253 CO 0.08 0.27 0.01 1.56 -0.34 0.00 0.00 178.44 180.01 3bl9 h GLN 254 N 0.32 0.07 -0.03 1.25 4.20 -1.07 -0.82 115.11 119.03 3bl9 h GLN 254 Ca 0.09 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3bl9 h GLN 254 Cb 0.02 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.80 3bl9 h GLN 254 CO -0.02 0.31 -0.52 -0.09 -0.67 0.00 0.00 178.83 177.85 3bl9 h ARG 255 N -0.19 0.39 -0.00 1.46 9.65 -1.02 -3.38 114.38 121.29 3bl9 h ARG 255 Ca 0.01 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 3bl9 h ARG 255 Cb 0.28 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3bl9 h ARG 255 CO 0.00 1.05 -0.09 0.66 2.80 0.00 0.00 179.97 184.39 3bl9 n TYR 256 N -4.27 0.00 -2.84 2.20 4.02 -0.28 -5.01 117.16 110.97 3bl9 n TYR 256 Ca -0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.59 3bl9 n TYR 256 Cb 0.62 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.97 3bl9 n TYR 256 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3bl9 n ARG 257 N -0.23 -3.96 -4.20 -0.72 5.12 -0.31 -4.99 116.66 107.37 3bl9 n ARG 257 Ca 0.03 0.86 -0.34 0.00 -1.93 0.00 0.00 57.85 56.46 3bl9 n ARG 257 Cb 0.12 -5.54 -0.13 0.00 -1.16 0.00 0.00 32.46 25.76 3bl9 n ARG 257 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3bl9 s MET 258 N -5.48 3.54 0.61 5.56 1.75 -1.24 -4.99 119.30 119.06 3bl9 s MET 258 Ca 0.23 -0.57 -0.13 0.00 -1.25 0.00 0.00 55.69 53.97 3bl9 s MET 258 Cb -0.10 -2.97 -0.04 0.00 2.84 0.00 0.00 34.83 34.57 3bl9 s MET 258 CO 0.28 0.04 1.03 0.15 -0.65 0.00 0.00 175.02 175.87 3bl9 s LYS 259 N 0.88 3.48 0.45 4.11 -0.14 -1.26 -3.20 119.74 124.06 3bl9 s LYS 259 Ca -0.00 0.91 0.12 0.00 -1.36 0.00 0.00 55.97 55.64 3bl9 s LYS 259 Cb -0.15 -2.06 1.04 0.00 -1.68 0.00 0.00 37.83 34.98 3bl9 s LYS 259 CO 0.01 -0.67 2.05 0.78 -0.76 0.00 0.00 175.35 176.77 3bl9 h GLY 260 N -0.03 0.41 1.00 -3.33 0.00 -1.95 -0.83 103.07 98.34 3bl9 h GLY 260 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3bl9 h GLY 260 CO 0.60 0.12 0.00 2.09 0.00 0.00 0.00 176.54 179.35 3bl9 n ASP 261 N -4.48 0.00 -1.10 0.19 5.75 -1.26 -1.55 116.55 114.11 3bl9 n ASP 261 Ca 0.04 -0.79 0.10 0.00 -0.01 0.00 0.00 54.79 54.13 3bl9 n ASP 261 Cb 0.19 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.52 3bl9 n ASP 261 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3bl9 n HIS 262 N -1.00 0.65 -5.17 2.11 8.25 -0.32 -4.98 115.22 114.76 3bl9 n HIS 262 Ca 0.19 -0.38 -0.32 0.00 -0.26 0.00 0.00 57.72 56.95 3bl9 n HIS 262 Cb 0.09 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 3bl9 n HIS 262 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bl9 s LEU 263 N -1.17 2.23 -0.27 2.41 1.43 -0.59 -0.73 118.68 121.98 3bl9 s LEU 263 Ca 0.38 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 3bl9 s LEU 263 Cb 0.21 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 3bl9 s LEU 263 CO 0.28 0.27 0.16 -0.60 0.23 0.00 0.00 176.35 176.70 3bl9 s ARG 264 N -0.32 3.91 -0.18 1.70 3.52 0.09 -4.80 118.95 122.87 3bl9 s ARG 264 Ca 0.01 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3bl9 s ARG 264 Cb -0.13 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 3bl9 s ARG 264 CO 0.02 -0.14 -0.14 0.08 -0.81 0.00 0.00 175.30 174.31 3bl9 s VAL 265 N 1.62 1.75 0.19 7.11 1.01 -1.26 -1.54 120.40 129.27 3bl9 s VAL 265 Ca 0.07 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 3bl9 s VAL 265 Cb -0.15 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.55 3bl9 s VAL 265 CO 0.09 0.33 0.50 -0.72 0.00 0.00 0.00 175.10 175.30 3bl9 s TYR 266 N 1.38 -0.11 0.21 5.22 -0.85 -0.25 -1.45 117.35 121.51 3bl9 s TYR 266 Ca 0.02 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.42 3bl9 s TYR 266 Cb -0.15 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3bl9 s TYR 266 CO -0.10 -0.89 -0.02 -0.51 -1.52 0.00 0.00 175.55 172.52 3bl9 s LEU 267 N -2.87 3.21 0.03 -3.49 1.02 0.13 -0.23 118.68 116.49 3bl9 s LEU 267 Ca 0.09 -0.51 -0.09 0.00 0.02 0.00 0.00 54.13 53.64 3bl9 s LEU 267 Cb -0.00 -1.83 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 3bl9 s LEU 267 CO -0.04 0.06 0.33 -1.00 0.02 0.00 0.00 176.35 175.73 3bl9 s HIS 268 N -1.92 3.60 -0.06 0.29 3.76 -1.26 -0.81 115.29 118.88 3bl9 s HIS 268 Ca 0.28 0.71 -0.03 0.00 -0.15 0.00 0.00 55.06 55.88 3bl9 s HIS 268 Cb -0.08 -2.09 0.04 0.00 1.11 0.00 0.00 32.58 31.55 3bl9 s HIS 268 CO 0.18 0.58 0.09 -0.47 -0.85 0.00 0.00 174.74 174.27 3bl9 s TYR 269 N -1.30 0.01 0.43 1.40 5.04 -0.37 -3.41 117.35 119.14 3bl9 s TYR 269 Ca 0.29 0.29 -0.23 0.00 -2.44 0.00 0.00 57.07 54.98 3bl9 s TYR 269 Cb -0.14 -0.44 -0.08 0.00 0.35 0.00 0.00 41.96 41.64 3bl9 s TYR 269 CO 0.16 -0.24 1.10 -0.51 -1.34 0.00 0.00 175.55 174.71 3bl9 s LEU 270 N 2.20 4.07 0.71 6.97 1.43 -1.26 -4.53 118.68 128.27 3bl9 s LEU 270 Ca 0.04 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 3bl9 s LEU 270 Cb -0.12 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 41.88 3bl9 s LEU 270 CO -0.04 -0.69 1.09 -2.16 0.23 0.00 0.00 176.35 174.78 3bl9 s PRO 271 N -2.63 2.82 0.41 1.29 0.04 -1.22 -4.98 135.00 130.74 3bl9 s PRO 271 Ca 0.61 0.49 0.22 0.00 0.04 0.00 0.00 61.00 62.36 3bl9 s PRO 271 Cb -0.24 -2.01 0.35 0.00 0.04 0.00 0.00 34.50 32.63 3bl9 s PRO 271 CO 0.30 -1.07 1.60 0.77 0.04 0.00 0.00 177.00 178.65 3bl9 h SER 272 N -0.68 0.00 -5.06 6.66 0.02 -1.98 -3.45 113.55 109.06 3bl9 h SER 272 Ca -0.45 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 3bl9 h SER 272 Cb 1.25 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.62 3bl9 h SER 272 CO 0.63 0.11 -0.32 -0.72 -1.14 0.00 0.00 176.83 175.40 3bl9 s TYR 273 N -3.19 -0.03 -0.98 3.45 -0.85 -1.26 -5.08 117.35 109.41 3bl9 s TYR 273 Ca 0.06 -0.15 -0.00 0.00 -0.52 0.00 0.00 57.07 56.46 3bl9 s TYR 273 Cb 0.06 0.04 0.32 0.00 0.38 0.00 0.00 41.96 42.76 3bl9 s TYR 273 CO 0.68 -0.47 1.76 0.66 -1.52 0.00 0.00 175.55 176.66 3bl9 n TYR 274 N 0.63 2.90 -3.64 -3.49 4.02 -1.26 -4.76 117.16 111.56 3bl9 n TYR 274 Ca -0.19 -2.68 -0.18 0.00 -0.01 0.00 0.00 57.90 54.85 3bl9 n TYR 274 Cb 0.59 -1.13 -0.16 0.00 -0.02 0.00 0.00 39.34 38.62 3bl9 n TYR 274 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3bl9 s HIS 275 N -4.25 -0.14 -0.23 -0.72 2.46 -1.22 -4.29 115.29 106.90 3bl9 s HIS 275 Ca 0.41 0.46 -0.41 0.00 0.47 0.00 0.00 55.06 55.98 3bl9 s HIS 275 Cb 0.21 -0.33 -0.19 0.00 -0.13 0.00 0.00 32.58 32.14 3bl9 s HIS 275 CO -0.15 -0.33 1.26 -0.11 -2.47 0.00 0.00 174.74 172.95 3bl9 n LEU 276 N 5.32 0.54 -3.70 8.88 7.94 0.47 -4.94 117.00 131.51 3bl9 n LEU 276 Ca -0.05 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.84 3bl9 n LEU 276 Cb 0.50 -0.86 -0.07 0.00 0.53 0.00 0.00 43.42 43.52 3bl9 n LEU 276 CO 0.05 -1.34 0.10 -1.38 -1.11 0.00 0.00 177.39 173.72 3bl9 s HIS 277 N 1.36 -0.23 -0.04 1.96 -3.43 -1.26 -3.25 115.29 110.40 3bl9 s HIS 277 Ca 0.93 0.24 0.03 0.00 -0.80 0.00 0.00 55.06 55.46 3bl9 s HIS 277 Cb -1.32 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.00 3bl9 s HIS 277 CO 0.66 -0.50 -0.13 0.08 -2.00 0.00 0.00 174.74 172.84 3bl9 s VAL 278 N -2.07 1.15 -0.08 -5.38 1.01 -0.02 -4.65 120.40 110.36 3bl9 s VAL 278 Ca -0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3bl9 s VAL 278 Cb -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3bl9 s VAL 278 CO 0.00 0.34 0.36 -1.00 0.00 0.00 0.00 175.10 174.81 3bl9 s HIS 279 N 0.15 3.60 -0.26 5.22 3.76 0.68 -0.53 115.29 127.90 3bl9 s HIS 279 Ca -0.04 0.81 0.02 0.00 -0.15 0.00 0.00 55.06 55.71 3bl9 s HIS 279 Cb -0.11 -2.33 0.07 0.00 1.11 0.00 0.00 32.58 31.32 3bl9 s HIS 279 CO 0.02 0.44 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.21 3bl9 s PHE 280 N -0.28 3.08 0.14 1.40 0.40 0.25 -1.09 117.98 121.89 3bl9 s PHE 280 Ca 0.21 -2.26 0.10 0.00 -0.60 0.00 0.00 56.93 54.38 3bl9 s PHE 280 Cb -0.15 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 3bl9 s PHE 280 CO 0.09 -0.86 -0.23 0.95 0.70 0.00 0.00 175.22 175.87 3bl9 s THR 281 N 1.16 2.03 0.26 0.64 -4.23 -0.59 -0.71 115.64 114.20 3bl9 s THR 281 Ca -0.05 -1.79 -0.31 0.00 -1.18 0.00 0.00 61.69 58.36 3bl9 s THR 281 Cb -0.20 -1.86 -0.13 0.00 1.34 0.00 0.00 72.50 71.65 3bl9 s THR 281 CO -0.06 -0.09 1.39 0.00 -0.54 0.00 0.00 174.62 175.32 3bl9 n ALA 282 N 0.69 1.16 -0.20 3.99 0.00 -0.33 -0.73 120.51 125.08 3bl9 n ALA 282 Ca -0.16 0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.71 3bl9 n ALA 282 Cb 0.55 -2.27 0.29 0.00 0.00 0.00 0.00 19.45 18.01 3bl9 n ALA 282 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3bl9 h LEU 283 N 3.92 0.78 -1.91 0.00 5.85 -1.24 -0.34 115.31 122.37 3bl9 h LEU 283 Ca -0.45 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3bl9 h LEU 283 Cb 1.28 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3bl9 h LEU 283 CO 0.73 0.54 0.00 1.23 -0.34 0.00 0.00 178.44 180.61 3bl9 h GLY 284 N 0.91 0.00 -7.16 3.75 0.00 -1.84 -3.40 103.07 95.33 3bl9 h GLY 284 Ca 0.29 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.97 3bl9 h GLY 284 CO -0.08 0.00 0.23 -0.12 0.00 0.00 0.00 176.54 176.57 3bl9 s PHE 285 N -3.79 2.99 -1.26 5.60 5.99 -0.14 -4.96 117.98 122.42 3bl9 s PHE 285 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 56.93 56.67 3bl9 s PHE 285 Cb 0.10 -3.59 0.17 0.00 0.00 0.00 0.00 43.02 39.69 3bl9 s PHE 285 CO 0.47 -1.03 1.74 0.39 -0.00 0.00 0.00 175.22 176.79 3bl9 n GLU 286 N 6.55 3.54 -2.17 10.12 1.02 -1.26 -4.74 120.64 133.70 3bl9 n GLU 286 Ca -0.02 -3.62 -0.37 0.00 -0.02 0.00 0.00 57.16 53.14 3bl9 n GLU 286 Cb 0.47 -2.97 0.01 0.00 -0.02 0.00 0.00 31.44 28.93 3bl9 n GLU 286 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bl9 s ALA 287 N 0.79 2.82 0.24 0.62 0.00 -1.26 -4.91 121.76 120.06 3bl9 s ALA 287 Ca 0.41 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 3bl9 s ALA 287 Cb 0.06 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 3bl9 s ALA 287 CO 0.00 -0.84 1.62 -2.30 0.00 0.00 0.00 175.76 174.25 3bl9 n PRO 288 N -0.91 2.58 -0.25 0.00 -0.02 -1.26 -1.63 135.00 133.50 3bl9 n PRO 288 Ca 0.10 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3bl9 n PRO 288 Cb 0.49 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3bl9 n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bl9 n GLY 289 N 3.03 0.69 0.47 -1.23 0.00 -1.26 -4.94 105.19 101.96 3bl9 n GLY 289 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3bl9 n GLY 289 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bl9 n SER 290 N 0.00 1.57 -4.73 1.61 3.41 -0.65 -3.77 113.62 111.06 3bl9 n SER 290 Ca 0.00 -1.39 -0.36 0.00 -0.26 0.00 0.00 58.87 56.86 3bl9 n SER 290 Cb 0.00 0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.08 3bl9 n SER 290 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bl9 s GLY 291 N -2.16 2.71 0.54 5.00 0.00 -1.26 -4.64 107.32 107.50 3bl9 s GLY 291 Ca 0.32 1.11 0.24 0.00 0.00 0.00 0.00 44.72 46.38 3bl9 s GLY 291 CO 0.39 1.52 2.05 -0.24 0.00 0.00 0.00 173.10 176.83 3bl9 h VAL 292 N 0.35 0.75 0.00 1.40 3.04 -1.92 0.15 116.25 120.02 3bl9 h VAL 292 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3bl9 h VAL 292 Cb 1.32 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 3bl9 h VAL 292 CO 0.52 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 175.24 3bl9 n GLU 293 N -4.30 0.19 0.00 4.17 0.00 -1.26 -4.05 120.64 115.39 3bl9 n GLU 293 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.31 3bl9 n GLU 293 Cb 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.36 3bl9 n GLU 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3bl9 n ARG 294 N -1.37 0.89 -3.45 3.44 0.63 -0.29 -3.95 116.66 112.58 3bl9 n ARG 294 Ca 0.08 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.65 3bl9 n ARG 294 Cb 0.20 -0.78 -0.06 0.00 0.45 0.00 0.00 32.46 32.27 3bl9 n ARG 294 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bl9 s ALA 295 N -1.57 3.65 -0.11 5.13 0.00 0.37 -1.24 121.76 128.00 3bl9 s ALA 295 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 3bl9 s ALA 295 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.72 3bl9 s ALA 295 CO 0.00 0.48 -0.01 -1.01 0.00 0.00 0.00 175.76 175.22 3bl9 s HIS 296 N -1.29 1.01 0.11 0.00 3.76 0.01 -4.73 115.29 114.16 3bl9 s HIS 296 Ca 0.31 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.41 3bl9 s HIS 296 Cb -0.16 -0.99 -0.09 0.00 1.11 0.00 0.00 32.58 32.45 3bl9 s HIS 296 CO 0.17 -0.45 1.67 -0.51 -0.85 0.00 0.00 174.74 174.77 3bl9 s LEU 297 N 1.86 4.37 0.24 0.89 1.43 -1.26 -0.69 118.68 125.53 3bl9 s LEU 297 Ca 0.04 2.58 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 3bl9 s LEU 297 Cb -0.13 -3.57 0.45 0.00 0.03 0.00 0.00 46.19 42.96 3bl9 s LEU 297 CO -0.07 -0.90 1.75 0.25 0.23 0.00 0.00 176.35 177.62 3bl9 h LEU 298 N 8.09 0.39 -1.24 1.79 6.46 -1.58 -0.47 115.31 128.75 3bl9 h LEU 298 Ca -0.43 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.46 3bl9 h LEU 298 Cb 1.20 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.13 3bl9 h LEU 298 CO 0.93 0.18 0.53 0.00 -0.62 0.00 0.00 178.44 179.45 3bl9 h ALA 299 N 1.52 1.53 0.00 1.25 0.00 -1.91 -1.01 119.26 120.64 3bl9 h ALA 299 Ca 0.41 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 3bl9 h ALA 299 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3bl9 h ALA 299 CO -0.36 0.39 -0.90 0.93 0.00 0.00 0.00 179.25 179.31 3bl9 h GLU 300 N 0.98 0.27 -0.25 0.00 5.08 -1.67 -2.36 114.58 116.63 3bl9 h GLU 300 Ca 0.32 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3bl9 h GLU 300 Cb 0.06 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3bl9 h GLU 300 CO -0.10 1.01 0.09 0.28 -1.00 0.00 0.00 179.01 179.29 3bl9 h VAL 301 N 0.15 0.93 -0.14 3.13 2.07 -0.74 0.92 116.25 122.57 3bl9 h VAL 301 Ca -0.06 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3bl9 h VAL 301 Cb 1.54 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3bl9 h VAL 301 CO 0.14 0.04 -0.06 0.40 0.02 0.00 0.00 177.57 178.11 3bl9 h ILE 302 N 0.20 0.80 -0.17 4.57 2.04 -1.16 -1.46 117.51 122.34 3bl9 h ILE 302 Ca 0.11 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.85 3bl9 h ILE 302 Cb 0.08 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3bl9 h ILE 302 CO -0.12 0.00 -0.43 -0.33 0.00 0.00 0.00 178.15 177.27 3bl9 h GLU 303 N -0.04 0.39 -0.07 2.37 5.08 -1.18 -0.73 114.58 120.40 3bl9 h GLU 303 Ca 0.07 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3bl9 h GLU 303 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3bl9 h GLU 303 CO -0.16 0.76 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.65 3bl9 h ASN 304 N 0.32 -0.13 -0.46 1.42 2.35 -0.56 -2.29 115.58 116.23 3bl9 h ASN 304 Ca 0.03 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3bl9 h ASN 304 Cb 0.89 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3bl9 h ASN 304 CO 0.07 -0.06 0.30 -0.07 -1.65 0.00 0.00 177.43 176.03 3bl9 h LEU 305 N -0.04 0.54 -0.82 1.61 3.38 -0.75 0.10 115.31 119.34 3bl9 h LEU 305 Ca 0.04 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3bl9 h LEU 305 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bl9 h LEU 305 CO -0.10 0.40 -0.52 -0.33 0.09 0.00 0.00 178.44 177.99 3bl9 h GLU 306 N 0.64 0.19 -0.01 1.13 5.08 -0.84 -3.26 114.58 117.51 3bl9 h GLU 306 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3bl9 h GLU 306 Cb -0.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3bl9 h GLU 306 CO -0.04 0.66 -0.24 0.00 -1.00 0.00 0.00 179.01 178.40 3bl9 n ASP 308 N -0.47 -2.15 -0.15 0.00 2.03 0.34 -5.05 116.55 111.10 3bl9 n ASP 308 Ca 0.03 -2.88 0.11 0.00 0.52 0.00 0.00 54.79 52.58 3bl9 n ASP 308 Cb 0.18 0.94 0.45 0.00 -0.72 0.00 0.00 41.12 41.96 3bl9 n ASP 308 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3bl9 h PRO 309 N 4.71 0.52 -0.63 -0.67 0.11 -1.73 -1.14 132.00 133.15 3bl9 h PRO 309 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3bl9 h PRO 309 Cb 1.01 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3bl9 h PRO 309 CO 0.24 0.34 0.00 0.54 -0.21 0.00 0.00 178.00 178.92 3bl9 n ARG 310 N -4.49 3.31 -0.25 1.05 1.74 -1.26 -4.42 116.66 112.33 3bl9 n ARG 310 Ca 0.12 -2.40 -0.01 0.00 -0.77 0.00 0.00 57.85 54.79 3bl9 n ARG 310 Cb 0.38 -1.80 0.06 0.00 -1.02 0.00 0.00 32.46 30.08 3bl9 n ARG 310 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3bl9 h HIS 311 N 3.45 -0.63 0.00 -1.55 2.76 -1.52 -0.36 115.15 117.30 3bl9 h HIS 311 Ca 0.00 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3bl9 h HIS 311 Cb 1.26 0.39 0.00 0.00 1.55 0.00 0.00 27.41 30.61 3bl9 h HIS 311 CO 0.65 -0.35 0.00 0.66 -1.30 0.00 0.00 177.93 177.59 3bl9 n TYR 312 N -5.48 0.54 -0.01 5.26 4.02 -1.26 -0.80 117.16 119.43 3bl9 n TYR 312 Ca 0.08 0.16 -0.12 0.00 -0.01 0.00 0.00 57.90 58.02 3bl9 n TYR 312 Cb 0.38 -0.76 -0.14 0.00 -0.02 0.00 0.00 39.34 38.80 3bl9 n TYR 312 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3bl9 h GLN 313 N 0.00 0.07 0.06 -0.72 7.50 -1.54 -3.41 115.11 117.06 3bl9 h GLN 313 Ca 0.00 -0.11 -0.36 0.00 0.50 0.00 0.00 58.65 58.68 3bl9 h GLN 313 Cb 0.63 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.16 3bl9 h GLN 313 CO 0.00 0.69 -2.10 1.04 -1.50 0.00 0.00 178.83 176.95 3bl9 n GLN 314 N -3.16 0.70 -2.50 1.46 6.02 -0.24 -4.38 117.38 115.28 3bl9 n GLN 314 Ca -0.19 0.21 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 3bl9 n GLN 314 Cb 1.05 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 30.62 3bl9 n GLN 314 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3bl9 s ARG 315 N -2.55 3.81 -0.01 -1.09 1.81 0.02 -3.97 118.95 116.97 3bl9 s ARG 315 Ca -0.21 0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 54.22 3bl9 s ARG 315 Cb 0.07 -2.23 -0.03 0.00 -0.45 0.00 0.00 34.95 32.31 3bl9 s ARG 315 CO 0.75 -0.23 0.94 0.99 -0.68 0.00 0.00 175.30 177.07 3bl9 s THR 316 N -2.62 4.89 0.06 0.02 2.01 -1.26 -3.88 115.64 114.86 3bl9 s THR 316 Ca 0.55 1.97 0.06 0.00 0.31 0.00 0.00 61.69 64.58 3bl9 s THR 316 Cb -0.10 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3bl9 s THR 316 CO 0.35 0.18 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.61 3bl9 s LEU 317 N 0.97 3.05 -0.15 4.42 1.43 -0.47 -4.91 118.68 123.02 3bl9 s LEU 317 Ca 0.50 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3bl9 s LEU 317 Cb -0.21 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3bl9 s LEU 317 CO 0.27 0.23 -0.12 -0.89 0.23 0.00 0.00 176.35 176.06 3bl9 s THR 318 N -1.10 3.04 0.24 5.49 2.01 -1.26 -0.55 115.64 123.51 3bl9 s THR 318 Ca 0.19 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 3bl9 s THR 318 Cb -0.11 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3bl9 s THR 318 CO 0.10 0.51 0.32 0.72 -0.69 0.00 0.00 174.62 175.59 3bl9 s PHE 319 N 0.63 0.78 -0.00 4.92 -0.12 -0.60 -4.62 117.98 118.96 3bl9 s PHE 319 Ca -0.07 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 55.77 3bl9 s PHE 319 Cb -0.15 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 3bl9 s PHE 319 CO 0.03 -0.85 -0.03 0.00 -0.05 0.00 0.00 175.22 174.32 3bl9 s ALA 320 N -4.00 3.15 0.11 1.99 0.00 -1.25 -0.25 121.76 121.50 3bl9 s ALA 320 Ca 0.30 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.37 3bl9 s ALA 320 Cb 0.03 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3bl9 s ALA 320 CO 0.11 0.63 -0.21 -0.51 0.00 0.00 0.00 175.76 175.78 3bl9 s LEU 321 N -1.44 2.31 0.38 0.00 1.43 0.37 -4.83 118.68 116.89 3bl9 s LEU 321 Ca 0.18 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 3bl9 s LEU 321 Cb -0.11 -0.91 -0.10 0.00 0.03 0.00 0.00 46.19 45.10 3bl9 s LEU 321 CO 0.08 0.06 1.42 -0.13 0.23 0.00 0.00 176.35 178.02 3bl9 s ARG 322 N -2.00 4.10 0.60 1.70 0.52 -1.26 -0.70 118.95 121.91 3bl9 s ARG 322 Ca 0.08 2.44 0.33 0.00 -0.52 0.00 0.00 55.73 58.07 3bl9 s ARG 322 Cb -0.10 -2.94 1.93 0.00 0.52 0.00 0.00 34.95 34.36 3bl9 s ARG 322 CO 0.05 -0.49 2.26 0.00 0.02 0.00 0.00 175.30 177.14 3bl9 h ALA 323 N 2.98 1.34 -0.34 2.13 0.00 -1.37 -0.04 119.26 123.96 3bl9 h ALA 323 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3bl9 h ALA 323 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3bl9 h ALA 323 CO 0.64 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3bl9 n ASP 324 N -3.60 2.41 -4.66 0.00 3.85 -1.26 -4.92 116.55 108.37 3bl9 n ASP 324 Ca -0.03 -1.89 -0.43 0.00 -0.71 0.00 0.00 54.79 51.73 3bl9 n ASP 324 Cb 0.11 -0.22 -0.02 0.00 -1.35 0.00 0.00 41.12 39.63 3bl9 n ASP 324 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bl9 s ASP 325 N -1.32 6.99 0.57 -1.12 3.68 -0.03 -4.92 116.67 120.52 3bl9 s ASP 325 Ca 0.33 1.65 0.26 0.00 2.13 0.00 0.00 52.55 56.93 3bl9 s ASP 325 Cb 0.18 -2.54 1.57 0.00 -1.45 0.00 0.00 42.92 40.68 3bl9 s ASP 325 CO 0.25 -0.72 2.10 1.55 0.13 0.00 0.00 175.17 178.49 3bl9 h PRO 326 N 7.98 0.00 -0.69 4.34 0.13 -1.91 -0.79 132.00 141.05 3bl9 h PRO 326 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3bl9 h PRO 326 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3bl9 h PRO 326 CO 0.96 0.00 0.38 1.25 -0.23 0.00 0.00 178.00 180.36 3bl9 h LEU 327 N 0.00 0.85 -0.30 1.56 5.85 -1.95 -2.53 115.31 118.79 3bl9 h LEU 327 Ca 0.09 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3bl9 h LEU 327 Cb 0.46 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3bl9 h LEU 327 CO -0.00 0.68 0.07 0.25 -0.34 0.00 0.00 178.44 179.11 3bl9 h LEU 328 N 0.96 0.05 -0.67 2.25 5.85 -1.46 -1.19 115.31 121.11 3bl9 h LEU 328 Ca 0.25 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3bl9 h LEU 328 Cb 0.02 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3bl9 h LEU 328 CO -0.04 0.06 0.36 0.50 -0.34 0.00 0.00 178.44 178.98 3bl9 h LYS 329 N 0.19 0.94 -0.35 1.25 1.63 -1.55 0.08 116.57 118.76 3bl9 h LYS 329 Ca 0.14 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3bl9 h LYS 329 Cb 0.13 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3bl9 h LYS 329 CO -0.17 0.72 0.22 -0.07 -3.45 0.00 0.00 179.45 176.70 3bl9 h LEU 330 N 0.92 0.42 -0.48 5.20 3.38 -1.18 0.18 115.31 123.75 3bl9 h LEU 330 Ca 0.23 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3bl9 h LEU 330 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3bl9 h LEU 330 CO -0.04 0.34 -0.03 -0.07 0.09 0.00 0.00 178.44 178.74 3bl9 h LEU 331 N 0.46 0.85 -0.32 1.67 3.38 -1.01 -1.41 115.31 118.93 3bl9 h LEU 331 Ca 0.13 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3bl9 h LEU 331 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3bl9 h LEU 331 CO -0.02 0.97 0.19 1.56 0.09 0.00 0.00 178.44 181.23 3bl9 h GLN 332 N 0.72 0.44 -0.81 1.13 4.20 -0.77 -1.37 115.11 118.65 3bl9 h GLN 332 Ca 0.13 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3bl9 h GLN 332 Cb 0.55 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3bl9 h GLN 332 CO 0.03 0.34 0.39 0.93 -0.67 0.00 0.00 178.83 179.85 3bl9 h GLU 333 N 0.42 1.17 0.00 1.46 5.08 -0.57 -2.19 114.58 119.95 3bl9 h GLU 333 Ca 0.12 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3bl9 h GLU 333 Cb 0.02 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3bl9 h GLU 333 CO -0.02 0.90 -0.15 0.00 -1.00 0.00 0.00 179.01 178.74 3bl9 h ALA 334 N 1.21 1.04 -0.02 3.43 0.00 -1.08 -3.05 119.26 120.78 3bl9 h ALA 334 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bl9 h ALA 334 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bl9 h ALA 334 CO -0.03 0.19 -0.27 1.04 0.00 0.00 0.00 179.25 180.17 3bl9 n GLN 335 N -3.33 1.53 0.00 0.00 6.02 -0.53 -5.08 117.38 115.98 3bl9 n GLN 335 Ca 0.00 -1.20 0.12 0.00 -0.01 0.00 0.00 57.00 55.91 3bl9 n GLN 335 Cb 0.37 -1.48 0.12 0.00 1.02 0.00 0.00 30.24 30.28 3bl9 n GLN 335 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05