#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibq s LYS 2 N 0.00 1.42 0.17 -1.46 -2.85 -1.26 -1.41 119.74 114.34 1ibq s LYS 2 Ca 0.00 -1.00 -0.02 0.00 -1.00 0.00 0.00 55.97 53.94 1ibq s LYS 2 Cb 0.00 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1ibq s LYS 2 CO 0.00 -0.59 0.26 0.41 0.10 0.00 0.00 175.35 175.53 1ibq n GLY 3 N -0.34 2.37 3.45 0.59 0.00 -0.09 -4.59 105.19 106.58 1ibq n GLY 3 Ca -0.07 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 1ibq n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibq s SER 4 N -1.99 -0.54 -0.11 1.61 0.15 -1.05 -2.29 113.70 109.48 1ibq s SER 4 Ca 0.12 0.69 -0.08 0.00 0.70 0.00 0.00 55.95 57.38 1ibq s SER 4 Cb -0.01 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1ibq s SER 4 CO 0.09 -0.47 0.27 0.00 1.20 0.00 0.00 173.24 174.33 1ibq s ALA 5 N -0.84 -0.66 0.02 5.45 0.00 -0.59 -3.88 121.76 121.25 1ibq s ALA 5 Ca -0.09 0.89 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1ibq s ALA 5 Cb -0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1ibq s ALA 5 CO 0.06 -0.16 0.85 0.08 0.00 0.00 0.00 175.76 176.59 1ibq s VAL 6 N 0.55 4.80 -0.18 0.00 1.01 -1.26 0.24 120.40 125.57 1ibq s VAL 6 Ca -0.03 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1ibq s VAL 6 Cb -0.05 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1ibq s VAL 6 CO -0.03 0.27 -0.17 0.28 0.00 0.00 0.00 175.10 175.45 1ibq s THR 7 N 0.46 2.32 -0.09 3.92 -1.32 0.32 -4.29 115.64 116.97 1ibq s THR 7 Ca 0.44 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 60.05 1ibq s THR 7 Cb -0.20 -1.99 -0.03 0.00 -1.51 0.00 0.00 72.50 68.76 1ibq s THR 7 CO 0.25 0.52 -0.01 0.42 -2.21 0.00 0.00 174.62 173.58 1ibq s THR 8 N 1.29 4.20 1.28 5.08 -4.23 -0.37 0.66 115.64 123.54 1ibq s THR 8 Ca 0.04 -0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1ibq s THR 8 Cb -0.13 -2.76 0.31 0.00 1.34 0.00 0.00 72.50 71.26 1ibq s THR 8 CO -0.10 0.60 1.03 -2.84 -0.54 0.00 0.00 174.62 172.76 1ibq s PRO 9 N -0.81 -1.82 0.00 3.99 0.02 -1.26 -1.20 135.00 133.92 1ibq s PRO 9 Ca 0.12 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.28 1ibq s PRO 9 Cb -0.11 -1.51 0.00 0.00 0.02 0.00 0.00 34.50 32.90 1ibq s PRO 9 CO 0.02 -4.15 0.00 0.94 -0.33 0.00 0.00 177.00 173.48 1ibq n GLN 10 N -5.11 0.00 -3.65 5.54 -0.06 -1.10 -4.78 117.38 108.22 1ibq n GLN 10 Ca 0.11 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.11 1ibq n GLN 10 Cb 0.59 -0.74 -0.06 0.00 -4.06 0.00 0.00 30.24 25.97 1ibq n GLN 10 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1ibq s ASN 11 N -4.30 -0.13 -1.10 1.69 6.03 -1.26 -4.96 114.94 110.91 1ibq s ASN 11 Ca 0.00 0.23 -0.10 0.00 -1.03 0.00 0.00 52.86 51.96 1ibq s ASN 11 Cb 0.00 0.72 0.09 0.00 -3.03 0.00 0.00 41.25 39.03 1ibq s ASN 11 CO 0.00 -0.04 0.37 0.59 -2.03 0.00 0.00 177.10 176.00 1ibq n ASN 12 N 2.58 -2.64 -3.84 3.54 3.02 -1.26 0.17 115.26 116.83 1ibq n ASN 12 Ca -0.15 -0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 53.77 1ibq n ASN 12 Cb 0.57 -2.25 0.01 0.00 -0.61 0.00 0.00 39.78 37.50 1ibq n ASN 12 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ibq n ASP 13 N -2.11 -2.65 -0.01 6.41 8.00 -1.26 -4.94 116.55 119.99 1ibq n ASP 13 Ca 0.01 -1.03 -0.00 0.00 0.71 0.00 0.00 54.79 54.48 1ibq n ASP 13 Cb 0.51 -3.12 -0.00 0.00 -0.02 0.00 0.00 41.12 38.49 1ibq n ASP 13 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ibq h GLU 14 N -1.92 0.00 -4.25 -1.24 4.81 -0.66 -3.46 114.58 107.87 1ibq h GLU 14 Ca -0.65 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.09 1ibq h GLU 14 Cb 1.37 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.40 1ibq h GLU 14 CO 0.56 0.00 -0.80 -1.83 -0.73 0.00 0.00 179.01 176.21 1ibq s GLU 15 N -1.07 1.37 -0.23 1.92 -1.05 -1.26 -4.58 118.70 113.80 1ibq s GLU 15 Ca -0.00 -0.25 -0.17 0.00 -0.15 0.00 0.00 54.97 54.40 1ibq s GLU 15 Cb 0.00 -1.32 -0.03 0.00 -0.44 0.00 0.00 34.13 32.33 1ibq s GLU 15 CO 0.01 -0.13 0.45 0.71 0.95 0.00 0.00 175.26 177.24 1ibq s TYR 16 N 1.22 3.33 0.11 4.83 1.51 -1.26 -2.71 117.35 124.39 1ibq s TYR 16 Ca -0.05 0.62 0.04 0.00 -1.01 0.00 0.00 57.07 56.67 1ibq s TYR 16 Cb -0.14 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 1ibq s TYR 16 CO -0.02 -0.12 0.12 -0.51 -1.11 0.00 0.00 175.55 173.90 1ibq s LEU 17 N 1.72 3.85 -0.02 -1.29 1.43 -0.34 -4.10 118.68 119.93 1ibq s LEU 17 Ca 0.20 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1ibq s LEU 17 Cb -0.15 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1ibq s LEU 17 CO 0.09 0.13 -0.02 -0.89 0.23 0.00 0.00 176.35 175.88 1ibq s THR 18 N -1.55 0.28 0.05 5.49 2.01 0.70 -1.24 115.64 121.38 1ibq s THR 18 Ca 0.30 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.95 1ibq s THR 18 Cb -0.11 -0.30 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 1ibq s THR 18 CO 0.23 0.13 1.40 -2.16 -0.69 0.00 0.00 174.62 173.53 1ibq s PRO 19 N 0.52 4.30 -0.03 4.92 0.04 -1.26 -1.03 135.00 142.46 1ibq s PRO 19 Ca -0.05 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1ibq s PRO 19 Cb -0.09 -3.44 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1ibq s PRO 19 CO -0.01 -0.52 -0.02 0.08 0.04 0.00 0.00 177.00 176.57 1ibq s VAL 20 N 1.85 0.33 -0.47 -0.36 1.01 0.10 -4.72 120.40 118.14 1ibq s VAL 20 Ca 0.64 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 1ibq s VAL 20 Cb -0.34 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1ibq s VAL 20 CO 0.28 0.16 0.83 -0.89 0.00 0.00 0.00 175.10 175.48 1ibq s THR 21 N 0.72 4.59 -0.30 3.92 2.01 -0.54 -0.03 115.64 126.01 1ibq s THR 21 Ca -0.08 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1ibq s THR 21 Cb -0.11 -4.37 0.06 0.00 0.01 0.00 0.00 72.50 68.08 1ibq s THR 21 CO -0.01 -0.81 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.42 1ibq s VAL 22 N 3.44 2.82 0.00 3.82 1.01 0.33 -0.91 120.40 130.92 1ibq s VAL 22 Ca 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1ibq s VAL 22 Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1ibq s VAL 22 CO 0.22 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1ibq n GLY 23 N 4.56 1.93 0.02 4.51 0.00 -0.46 -2.65 105.19 113.11 1ibq n GLY 23 Ca -0.11 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.66 1ibq n GLY 23 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ibq n LYS 24 N 4.26 0.84 -3.43 1.61 2.85 -1.22 -4.80 118.16 118.26 1ibq n LYS 24 Ca 0.00 -0.08 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 1ibq n LYS 24 Cb 0.00 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 33.04 1ibq n LYS 24 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1ibq s SER 25 N -3.65 6.75 -0.22 -5.58 1.04 -1.08 -5.08 113.70 105.89 1ibq s SER 25 Ca -0.05 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.21 1ibq s SER 25 Cb 0.07 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1ibq s SER 25 CO 0.49 0.11 0.37 -0.89 0.98 0.00 0.00 173.24 174.30 1ibq s THR 26 N -1.46 5.21 0.37 2.02 2.01 -1.26 -0.51 115.64 122.01 1ibq s THR 26 Ca 0.37 0.62 0.08 0.00 0.31 0.00 0.00 61.69 63.07 1ibq s THR 26 Cb -0.14 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1ibq s THR 26 CO 0.19 0.24 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.55 1ibq s LEU 27 N 1.43 2.78 -0.33 4.42 1.02 0.96 -4.90 118.68 124.05 1ibq s LEU 27 Ca 0.17 -1.26 -0.01 0.00 0.02 0.00 0.00 54.13 53.05 1ibq s LEU 27 Cb -0.15 -0.95 0.08 0.00 0.02 0.00 0.00 46.19 45.19 1ibq s LEU 27 CO 0.08 -0.30 0.05 -1.00 0.02 0.00 0.00 176.35 175.20 1ibq s HIS 28 N -2.66 3.45 0.18 0.29 3.76 -1.26 0.02 115.29 119.07 1ibq s HIS 28 Ca 0.33 -2.28 0.06 0.00 -0.15 0.00 0.00 55.06 53.03 1ibq s HIS 28 Cb 0.05 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 1ibq s HIS 28 CO 0.17 -0.89 0.07 -0.51 -0.85 0.00 0.00 174.74 172.74 1ibq s LEU 29 N 1.14 3.56 -0.38 0.89 1.02 -0.19 -1.17 118.68 123.54 1ibq s LEU 29 Ca 0.01 -0.29 -0.21 0.00 0.02 0.00 0.00 54.13 53.66 1ibq s LEU 29 Cb -0.20 -2.17 0.01 0.00 0.02 0.00 0.00 46.19 43.84 1ibq s LEU 29 CO -0.04 0.06 0.67 -0.62 0.02 0.00 0.00 176.35 176.45 1ibq s ASP 30 N -3.13 6.43 -0.26 2.29 3.68 -0.47 -0.22 116.67 124.99 1ibq s ASP 30 Ca 0.30 0.09 -0.26 0.00 2.13 0.00 0.00 52.55 54.81 1ibq s ASP 30 Cb -0.09 -2.34 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 1ibq s ASP 30 CO 0.21 -0.67 0.92 -0.36 0.13 0.00 0.00 175.17 175.41 1ibq s PHE 31 N 2.83 3.29 -0.25 -5.34 0.40 -1.26 -1.79 117.98 115.86 1ibq s PHE 31 Ca 0.26 1.21 0.03 0.00 -0.60 0.00 0.00 56.93 57.82 1ibq s PHE 31 Cb -0.14 -3.22 0.06 0.00 0.51 0.00 0.00 43.02 40.23 1ibq s PHE 31 CO 0.16 -0.49 -0.11 0.34 0.70 0.00 0.00 175.22 175.82 1ibq s ASP 32 N 1.37 4.33 0.00 1.36 2.15 -0.62 -3.79 116.67 121.47 1ibq s ASP 32 Ca 0.39 -1.34 0.15 0.00 0.43 0.00 0.00 52.55 52.18 1ibq s ASP 32 Cb -0.15 -1.51 0.92 0.00 -0.30 0.00 0.00 42.92 41.88 1ibq s ASP 32 CO 0.08 -0.19 1.52 0.35 -0.17 0.00 0.00 175.17 176.76 1ibq n THR 33 N 4.46 0.00 0.65 1.71 -2.24 -1.26 -0.52 114.28 117.08 1ibq n THR 33 Ca -0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1ibq n THR 33 Cb 0.43 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 1ibq n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibq n GLY 34 N 0.61 -0.09 3.44 3.38 0.00 -1.26 -3.90 105.19 107.36 1ibq n GLY 34 Ca 0.12 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1ibq n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibq s SER 35 N -1.81 3.30 -0.04 1.61 0.15 -1.07 -4.89 113.70 110.95 1ibq s SER 35 Ca 0.12 -1.03 0.06 0.00 0.70 0.00 0.00 55.95 55.80 1ibq s SER 35 Cb 0.12 -0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.27 1ibq s SER 35 CO 0.38 -0.03 0.95 0.00 1.20 0.00 0.00 173.24 175.75 1ibq n ALA 36 N -0.55 1.90 -2.79 5.45 0.00 -1.26 0.02 120.51 123.27 1ibq n ALA 36 Ca -0.06 -1.42 -0.28 0.00 0.00 0.00 0.00 53.44 51.68 1ibq n ALA 36 Cb 0.60 -0.27 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 1ibq n ALA 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ibq s ASP 37 N -1.41 5.53 -0.48 0.00 1.11 -1.26 -4.52 116.67 115.63 1ibq s ASP 37 Ca 0.10 -0.08 0.03 0.00 0.18 0.00 0.00 52.55 52.79 1ibq s ASP 37 Cb 0.09 -1.46 0.13 0.00 1.07 0.00 0.00 42.92 42.75 1ibq s ASP 37 CO 0.01 0.11 0.25 -0.22 1.18 0.00 0.00 175.17 176.50 1ibq s LEU 38 N -2.80 3.49 0.12 1.23 0.20 -1.26 -0.31 118.68 119.36 1ibq s LEU 38 Ca 0.30 -2.83 0.08 0.00 0.69 0.00 0.00 54.13 52.37 1ibq s LEU 38 Cb -0.11 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.28 1ibq s LEU 38 CO 0.23 -0.25 -0.13 -1.66 -0.29 0.00 0.00 176.35 174.25 1ibq s TRP 39 N 0.02 2.64 0.03 5.38 1.48 -1.08 0.05 118.94 127.46 1ibq s TRP 39 Ca 0.17 -0.21 -0.00 0.00 -1.06 0.00 0.00 56.10 55.00 1ibq s TRP 39 Cb -0.25 -1.38 -0.03 0.00 -1.16 0.00 0.00 33.47 30.65 1ibq s TRP 39 CO -0.00 0.42 -0.03 0.14 -4.06 0.00 0.00 176.95 173.41 1ibq s VAL 40 N -1.22 0.15 0.41 -0.66 -7.23 0.34 -1.80 120.40 110.40 1ibq s VAL 40 Ca 0.20 -1.22 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 1ibq s VAL 40 Cb -0.11 -0.70 -0.10 0.00 0.56 0.00 0.00 36.38 36.03 1ibq s VAL 40 CO 0.12 -0.67 1.27 0.49 -0.31 0.00 0.00 175.10 176.00 1ibq n PHE 41 N 1.08 2.15 -4.23 2.82 3.01 -0.85 -1.31 117.46 120.12 1ibq n PHE 41 Ca -0.20 0.50 -0.13 0.00 1.01 0.00 0.00 57.45 58.63 1ibq n PHE 41 Cb 0.57 -2.38 -0.10 0.00 -0.01 0.00 0.00 39.48 37.56 1ibq n PHE 41 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ibq s SER 42 N -0.51 1.34 0.00 4.37 1.04 -1.25 0.64 113.70 119.34 1ibq s SER 42 Ca 0.60 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1ibq s SER 42 Cb -0.51 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1ibq s SER 42 CO 0.58 -0.50 0.47 -0.90 0.98 0.00 0.00 173.24 173.87 1ibq n ASP 43 N -0.20 0.66 0.01 7.02 3.85 -1.09 -2.44 116.55 124.36 1ibq n ASP 43 Ca -0.08 -1.60 0.11 0.00 -0.71 0.00 0.00 54.79 52.51 1ibq n ASP 43 Cb 0.62 -0.33 -0.10 0.00 -1.35 0.00 0.00 41.12 39.96 1ibq n ASP 43 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1ibq n GLU 44 N -0.00 0.47 -3.83 0.11 2.13 -1.26 -4.90 120.64 113.35 1ibq n GLU 44 Ca 0.00 -0.09 -0.32 0.00 0.66 0.00 0.00 57.16 57.41 1ibq n GLU 44 Cb 0.17 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 30.26 1ibq n GLU 44 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1ibq s LEU 45 N -4.24 4.34 0.89 4.31 0.05 -1.02 -4.91 118.68 118.09 1ibq s LEU 45 Ca -0.02 0.41 -0.13 0.00 0.05 0.00 0.00 54.13 54.43 1ibq s LEU 45 Cb 0.14 -2.94 0.03 0.00 -2.05 0.00 0.00 46.19 41.37 1ibq s LEU 45 CO 0.87 0.17 0.57 -0.81 -0.55 0.00 0.00 176.35 176.59 1ibq n PRO 46 N 0.48 -0.13 0.17 1.48 -0.04 -1.26 -4.87 135.00 130.82 1ibq n PRO 46 Ca -0.06 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1ibq n PRO 46 Cb 0.52 -1.95 0.45 0.00 -0.04 0.00 0.00 33.50 32.48 1ibq n PRO 46 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ibq h SER 47 N -1.28 0.12 0.53 3.54 4.64 -1.97 -2.70 113.55 116.44 1ibq h SER 47 Ca -0.44 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ibq h SER 47 Cb 1.30 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ibq h SER 47 CO 0.38 0.27 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 1ibq n SER 48 N -4.32 0.66 -0.51 4.97 3.41 -1.26 -1.97 113.62 114.60 1ibq n SER 48 Ca -0.01 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 1ibq n SER 48 Cb 0.24 -0.83 0.03 0.00 -0.26 0.00 0.00 64.21 63.39 1ibq n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ibq n GLU 49 N -2.27 1.57 -0.14 4.33 1.02 -1.02 -4.29 120.64 119.85 1ibq n GLU 49 Ca 0.01 -1.11 0.10 0.00 -0.02 0.00 0.00 57.16 56.14 1ibq n GLU 49 Cb 0.17 -1.32 0.30 0.00 -0.02 0.00 0.00 31.44 30.57 1ibq n GLU 49 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ibq n GLN 50 N 0.31 1.99 -1.87 3.49 6.02 -0.83 -4.89 117.38 121.60 1ibq n GLN 50 Ca 0.08 -1.50 -0.42 0.00 -0.01 0.00 0.00 57.00 55.15 1ibq n GLN 50 Cb 0.39 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 1ibq n GLN 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ibq s THR 51 N -1.64 3.35 0.00 5.09 2.01 -1.25 -2.02 115.64 121.17 1ibq s THR 51 Ca 0.33 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1ibq s THR 51 Cb 0.18 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1ibq s THR 51 CO 0.26 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1ibq n GLY 52 N 4.50 0.51 2.89 4.40 0.00 -1.26 -4.90 105.19 111.33 1ibq n GLY 52 Ca 0.20 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1ibq n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibq s HIS 53 N -2.00 0.08 0.34 1.61 4.02 -0.86 -1.88 115.29 116.61 1ibq s HIS 53 Ca 0.00 -0.04 -0.23 0.00 1.02 0.00 0.00 55.06 55.81 1ibq s HIS 53 Cb 0.00 -0.05 -0.10 0.00 -1.02 0.00 0.00 32.58 31.41 1ibq s HIS 53 CO 0.00 -0.01 0.91 -0.51 1.02 0.00 0.00 174.74 176.15 1ibq s ASP 54 N -0.08 7.17 0.07 1.40 1.11 -1.26 -4.96 116.67 120.12 1ibq s ASP 54 Ca -0.00 1.73 0.09 0.00 0.18 0.00 0.00 52.55 54.54 1ibq s ASP 54 Cb -0.01 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1ibq s ASP 54 CO -0.00 -0.15 -0.24 -0.76 1.18 0.00 0.00 175.17 175.20 1ibq s LEU 55 N -2.41 2.21 0.12 1.23 2.01 -1.26 -4.70 118.68 115.89 1ibq s LEU 55 Ca 0.53 -0.62 -0.31 0.00 0.01 0.00 0.00 54.13 53.74 1ibq s LEU 55 Cb -0.15 -1.14 -0.09 0.00 0.01 0.00 0.00 46.19 44.82 1ibq s LEU 55 CO 0.20 0.19 1.50 -0.47 1.01 0.00 0.00 176.35 178.78 1ibq s TYR 56 N -0.90 3.04 -0.19 0.29 5.04 0.21 -4.84 117.35 120.01 1ibq s TYR 56 Ca 0.10 0.73 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1ibq s TYR 56 Cb -0.10 -3.82 0.03 0.00 0.35 0.00 0.00 41.96 38.43 1ibq s TYR 56 CO 0.03 -3.01 -0.14 0.99 -1.34 0.00 0.00 175.55 172.09 1ibq s THR 57 N 1.38 1.79 0.56 4.34 2.01 -1.26 -2.68 115.64 121.78 1ibq s THR 57 Ca 0.68 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 1ibq s THR 57 Cb -0.40 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 70.28 1ibq s THR 57 CO 0.31 0.31 0.66 -2.65 -0.69 0.00 0.00 174.62 172.56 1ibq n PRO 58 N 4.66 0.65 -2.70 4.92 -0.02 -1.26 -3.44 135.00 137.81 1ibq n PRO 58 Ca -0.17 0.25 -0.23 0.00 -2.02 0.00 0.00 63.50 61.34 1ibq n PRO 58 Cb 0.48 -1.82 0.11 0.00 -0.02 0.00 0.00 33.50 32.24 1ibq n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ibq s SER 59 N -1.16 4.40 0.13 2.55 1.04 -1.26 -4.70 113.70 114.70 1ibq s SER 59 Ca 0.70 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 56.36 1ibq s SER 59 Cb -0.45 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1ibq s SER 59 CO 0.53 -1.84 1.68 0.77 0.98 0.00 0.00 173.24 175.35 1ibq h SER 60 N -0.43 -0.40 -0.06 7.02 4.64 -1.96 -1.39 113.55 120.98 1ibq h SER 60 Ca -0.34 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ibq h SER 60 Cb 1.27 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1ibq h SER 60 CO 0.38 -0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.64 1ibq n SER 61 N -5.27 0.80 -4.67 4.97 3.41 -1.26 -4.88 113.62 106.71 1ibq n SER 61 Ca -0.03 -2.03 -0.42 0.00 -0.26 0.00 0.00 58.87 56.13 1ibq n SER 61 Cb 0.19 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1ibq n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibq s ALA 62 N -1.59 3.63 -0.37 7.33 0.00 -0.52 -4.82 121.76 125.42 1ibq s ALA 62 Ca 0.04 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1ibq s ALA 62 Cb 0.03 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.51 1ibq s ALA 62 CO 0.02 -1.23 0.15 0.99 0.00 0.00 0.00 175.76 175.69 1ibq s THR 63 N 3.37 3.70 0.35 0.00 2.01 -0.10 -4.93 115.64 120.04 1ibq s THR 63 Ca 0.71 -1.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.05 1ibq s THR 63 Cb -0.34 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1ibq s THR 63 CO 0.29 -0.34 1.10 -0.75 -0.69 0.00 0.00 174.62 174.23 1ibq s LYS 64 N 1.34 4.32 -0.82 4.92 2.20 -1.26 -0.04 119.74 130.40 1ibq s LYS 64 Ca 0.01 1.71 -0.11 0.00 -0.36 0.00 0.00 55.97 57.22 1ibq s LYS 64 Cb -0.21 -2.82 0.21 0.00 -1.51 0.00 0.00 37.83 33.50 1ibq s LYS 64 CO 0.01 -0.05 0.74 -0.51 -0.36 0.00 0.00 175.35 175.17 1ibq s LEU 65 N -2.14 6.37 0.36 5.43 1.43 -0.75 -4.89 118.68 124.49 1ibq s LEU 65 Ca 0.52 -2.86 -0.28 0.00 -1.03 0.00 0.00 54.13 50.49 1ibq s LEU 65 Cb -0.28 -2.13 -0.12 0.00 0.03 0.00 0.00 46.19 43.70 1ibq s LEU 65 CO 0.36 -0.49 1.38 -1.54 0.23 0.00 0.00 176.35 176.29 1ibq n SER 66 N 3.68 3.24 0.00 2.29 3.41 -1.26 -1.48 113.62 123.50 1ibq n SER 66 Ca 0.14 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1ibq n SER 66 Cb 0.44 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1ibq n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ibq n GLY 67 N 0.62 2.00 3.88 5.00 0.00 -1.26 -5.03 105.19 110.41 1ibq n GLY 67 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ibq n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ibq s TYR 68 N -2.37 3.44 0.23 1.61 1.51 -0.55 -4.39 117.35 116.83 1ibq s TYR 68 Ca 0.00 0.75 -0.22 0.00 -1.01 0.00 0.00 57.07 56.59 1ibq s TYR 68 Cb 0.00 -2.16 0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1ibq s TYR 68 CO 0.00 0.33 0.72 -1.54 -1.11 0.00 0.00 175.55 173.96 1ibq s SER 69 N -2.38 -0.33 0.04 2.29 1.04 0.43 -4.12 113.70 110.67 1ibq s SER 69 Ca 0.45 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 1ibq s SER 69 Cb -0.12 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1ibq s SER 69 CO 0.22 -1.19 -0.02 -1.66 0.98 0.00 0.00 173.24 171.57 1ibq s TRP 70 N -3.79 0.38 -0.21 5.02 1.48 -1.17 0.11 118.94 120.76 1ibq s TRP 70 Ca 0.09 -0.78 -0.16 0.00 -1.06 0.00 0.00 56.10 54.18 1ibq s TRP 70 Cb -0.04 -0.28 0.06 0.00 -1.16 0.00 0.00 33.47 32.05 1ibq s TRP 70 CO 0.01 -0.29 0.53 0.34 -4.06 0.00 0.00 176.95 173.48 1ibq s ASP 71 N -2.21 -0.61 0.08 -2.66 2.15 -1.26 -2.44 116.67 109.72 1ibq s ASP 71 Ca -0.04 1.11 0.03 0.00 0.43 0.00 0.00 52.55 54.07 1ibq s ASP 71 Cb -0.01 1.07 -0.03 0.00 -0.30 0.00 0.00 42.92 43.65 1ibq s ASP 71 CO -0.06 -0.20 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.03 1ibq s ILE 72 N 0.73 0.79 -0.22 4.11 1.01 0.65 -4.98 121.20 123.29 1ibq s ILE 72 Ca -0.04 -1.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 1ibq s ILE 72 Cb -0.05 -1.20 0.12 0.00 0.01 0.00 0.00 42.46 41.34 1ibq s ILE 72 CO -0.05 -0.56 0.36 -0.44 0.00 0.00 0.00 174.94 174.25 1ibq s SER 73 N -2.29 0.31 0.75 3.58 0.01 -1.26 -2.62 113.70 112.18 1ibq s SER 73 Ca 0.02 0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.56 1ibq s SER 73 Cb -0.04 1.03 0.10 0.00 0.21 0.00 0.00 66.02 67.33 1ibq s SER 73 CO -0.01 -0.29 0.67 -1.22 0.41 0.00 0.00 173.24 172.80 1ibq n TYR 74 N 5.36 -3.46 -0.10 2.43 4.02 0.36 -4.96 117.16 120.82 1ibq n TYR 74 Ca -0.05 -0.91 -0.09 0.00 -0.01 0.00 0.00 57.90 56.84 1ibq n TYR 74 Cb 0.50 -0.50 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 1ibq n TYR 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibq n GLY 75 N 0.23 3.08 0.00 2.72 0.00 -1.26 -3.28 105.19 106.68 1ibq n GLY 75 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ibq n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ibq n ASP 76 N 0.26 0.00 0.00 1.61 8.00 -1.26 -4.97 116.55 120.19 1ibq n ASP 76 Ca 0.19 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1ibq n ASP 76 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1ibq n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibq n GLY 77 N 0.00 2.72 3.66 0.44 0.00 -1.20 -4.98 105.19 105.82 1ibq n GLY 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ibq n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibq s SER 78 N -2.07 6.47 -0.12 1.61 1.04 -1.26 -4.77 113.70 114.58 1ibq s SER 78 Ca 0.00 2.64 -0.12 0.00 0.48 0.00 0.00 55.95 58.95 1ibq s SER 78 Cb 0.00 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.62 1ibq s SER 78 CO 0.00 -1.04 0.34 -0.94 0.98 0.00 0.00 173.24 172.58 1ibq s SER 79 N 4.29 -0.35 0.34 7.02 1.04 -1.26 -0.48 113.70 124.29 1ibq s SER 79 Ca 0.87 0.67 0.05 0.00 0.48 0.00 0.00 55.95 58.02 1ibq s SER 79 Cb -0.42 0.69 -0.07 0.00 0.10 0.00 0.00 66.02 66.32 1ibq s SER 79 CO 0.40 -0.13 0.03 0.00 0.98 0.00 0.00 173.24 174.52 1ibq s ALA 80 N 0.12 2.53 -0.19 5.32 0.00 -1.08 -3.08 121.76 125.39 1ibq s ALA 80 Ca -0.01 -2.10 -0.35 0.00 0.00 0.00 0.00 51.96 49.50 1ibq s ALA 80 Cb -0.02 0.50 0.14 0.00 0.00 0.00 0.00 23.12 23.73 1ibq s ALA 80 CO 0.01 -0.24 1.28 -1.54 0.00 0.00 0.00 175.76 175.27 1ibq s SER 81 N -3.53 -0.08 0.00 0.00 1.04 -1.16 -0.25 113.70 109.72 1ibq s SER 81 Ca 0.35 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1ibq s SER 81 Cb 0.08 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ibq s SER 81 CO 0.16 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1ibq n GLY 82 N -0.14 -0.67 4.02 7.32 0.00 -1.02 -0.97 105.19 113.72 1ibq n GLY 82 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1ibq n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibq s ASP 83 N -4.00 5.01 -0.07 1.61 1.11 -0.62 -3.07 116.67 116.65 1ibq s ASP 83 Ca 0.00 -0.65 0.03 0.00 0.18 0.00 0.00 52.55 52.11 1ibq s ASP 83 Cb 0.00 0.05 0.01 0.00 1.07 0.00 0.00 42.92 44.05 1ibq s ASP 83 CO 0.00 -1.37 -0.15 -0.69 1.18 0.00 0.00 175.17 174.14 1ibq s VAL 84 N -2.73 1.34 0.00 -1.27 1.01 -1.26 -1.19 120.40 116.29 1ibq s VAL 84 Ca 0.62 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1ibq s VAL 84 Cb -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1ibq s VAL 84 CO 0.39 0.40 -0.26 -0.31 0.00 0.00 0.00 175.10 175.32 1ibq s TYR 85 N 0.61 2.31 -0.13 5.22 2.02 0.65 -1.80 117.35 126.22 1ibq s TYR 85 Ca -0.15 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 55.93 1ibq s TYR 85 Cb -0.16 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1ibq s TYR 85 CO 0.05 0.02 0.51 0.50 -1.57 0.00 0.00 175.55 175.06 1ibq s ARG 86 N -0.85 4.32 0.20 -0.62 6.06 0.94 0.13 118.95 129.13 1ibq s ARG 86 Ca 0.11 0.49 -0.23 0.00 -2.50 0.00 0.00 55.73 53.60 1ibq s ARG 86 Cb -0.10 -3.47 0.05 0.00 0.06 0.00 0.00 34.95 31.49 1ibq s ARG 86 CO 0.00 0.07 0.81 0.34 -2.50 0.00 0.00 175.30 174.02 1ibq s ASP 87 N 0.77 -0.27 0.12 -2.12 -1.08 -0.32 -0.93 116.67 112.85 1ibq s ASP 87 Ca 0.27 -0.43 -0.30 0.00 -0.52 0.00 0.00 52.55 51.57 1ibq s ASP 87 Cb -0.15 0.60 -0.06 0.00 -1.46 0.00 0.00 42.92 41.84 1ibq s ASP 87 CO 0.11 -1.09 0.99 0.28 0.52 0.00 0.00 175.17 175.98 1ibq s THR 88 N -3.60 4.37 -0.07 1.71 -1.32 -1.26 -1.92 115.64 113.55 1ibq s THR 88 Ca 0.10 1.97 0.00 0.00 -1.21 0.00 0.00 61.69 62.55 1ibq s THR 88 Cb -0.03 -4.26 0.02 0.00 -1.51 0.00 0.00 72.50 66.72 1ibq s THR 88 CO 0.02 0.31 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.00 1ibq s VAL 89 N -0.03 0.63 -0.08 5.08 1.01 -0.17 -1.35 120.40 125.49 1ibq s VAL 89 Ca 0.48 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1ibq s VAL 89 Cb -0.25 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1ibq s VAL 89 CO 0.31 0.27 -0.16 -0.89 0.00 0.00 0.00 175.10 174.63 1ibq s THR 90 N 1.35 2.84 -0.09 3.92 2.01 -0.09 -2.21 115.64 123.38 1ibq s THR 90 Ca -0.04 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1ibq s THR 90 Cb -0.14 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1ibq s THR 90 CO -0.03 0.56 0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 1ibq s VAL 91 N -0.22 0.25 -1.53 3.82 1.01 -0.39 -1.46 120.40 121.88 1ibq s VAL 91 Ca -0.00 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1ibq s VAL 91 Cb -0.13 -0.52 0.10 0.00 0.00 0.00 0.00 36.38 35.83 1ibq s VAL 91 CO 0.03 0.13 0.81 0.61 0.00 0.00 0.00 175.10 176.68 1ibq n GLY 92 N 5.18 -0.48 3.26 4.51 0.00 -1.25 -0.76 105.19 115.64 1ibq n GLY 92 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ibq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibq n GLY 93 N -1.48 2.92 3.68 -0.02 0.00 -1.26 -2.54 105.19 106.49 1ibq n GLY 93 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1ibq n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibq s VAL 94 N -1.86 4.58 -0.05 1.61 1.01 0.06 -4.97 120.40 120.78 1ibq s VAL 94 Ca 0.00 1.88 0.01 0.00 0.00 0.00 0.00 61.98 63.87 1ibq s VAL 94 Cb 0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1ibq s VAL 94 CO 0.00 -0.05 -0.05 0.28 0.00 0.00 0.00 175.10 175.27 1ibq s THR 95 N 2.49 0.62 0.11 3.92 -1.32 -1.26 -1.26 115.64 118.94 1ibq s THR 95 Ca 0.50 -0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.91 1ibq s THR 95 Cb -0.19 -0.64 -0.04 0.00 -1.51 0.00 0.00 72.50 70.11 1ibq s THR 95 CO 0.16 0.25 -0.12 0.28 -2.21 0.00 0.00 174.62 172.98 1ibq s THR 96 N 1.05 3.21 -0.40 5.08 -1.32 -0.94 -4.98 115.64 117.34 1ibq s THR 96 Ca -0.09 -1.35 0.14 0.00 -1.21 0.00 0.00 61.69 59.18 1ibq s THR 96 Cb -0.14 -2.50 0.42 0.00 -1.51 0.00 0.00 72.50 68.77 1ibq s THR 96 CO -0.01 0.10 1.34 -0.46 -2.21 0.00 0.00 174.62 173.38 1ibq n ASN 97 N 0.70 3.41 -2.47 8.08 6.94 -1.26 -1.00 115.26 129.67 1ibq n ASN 97 Ca -0.14 -2.66 0.01 0.00 -0.02 0.00 0.00 54.58 51.77 1ibq n ASN 97 Cb 0.52 -0.42 0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1ibq n ASN 97 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ibq n LYS 98 N -0.25 1.27 -2.79 -3.83 2.85 -1.25 -4.33 118.16 109.83 1ibq n LYS 98 Ca 0.17 -3.10 -0.36 0.00 -1.05 0.00 0.00 58.31 53.96 1ibq n LYS 98 Cb 0.71 -1.18 -0.06 0.00 -0.65 0.00 0.00 35.03 33.84 1ibq n LYS 98 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1ibq s GLN 99 N -2.77 4.54 -0.27 -1.58 2.00 -0.81 -4.78 119.66 115.99 1ibq s GLN 99 Ca 0.29 1.30 -0.21 0.00 -2.00 0.00 0.00 55.36 54.74 1ibq s GLN 99 Cb 0.34 -2.73 -0.01 0.00 0.80 0.00 0.00 33.01 31.41 1ibq s GLN 99 CO -0.07 0.24 0.65 0.00 -0.50 0.00 0.00 175.29 175.61 1ibq s ALA 100 N -1.68 3.59 -0.29 1.58 0.00 -1.26 -1.17 121.76 122.52 1ibq s ALA 100 Ca 0.51 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 1ibq s ALA 100 Cb -0.17 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1ibq s ALA 100 CO 0.22 -0.91 0.10 0.08 0.00 0.00 0.00 175.76 175.25 1ibq s VAL 101 N 2.59 4.17 -0.57 0.00 1.01 0.35 -4.68 120.40 123.27 1ibq s VAL 101 Ca 0.27 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1ibq s VAL 101 Cb -0.15 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1ibq s VAL 101 CO 0.10 0.11 0.91 -1.61 0.00 0.00 0.00 175.10 174.61 1ibq s GLU 102 N 1.54 3.24 -0.49 2.72 2.02 0.11 -0.25 118.70 127.59 1ibq s GLU 102 Ca 0.04 -0.49 -0.24 0.00 0.02 0.00 0.00 54.97 54.29 1ibq s GLU 102 Cb -0.17 -4.11 0.03 0.00 0.10 0.00 0.00 34.13 29.99 1ibq s GLU 102 CO 0.03 -1.54 0.89 0.00 0.02 0.00 0.00 175.26 174.67 1ibq s ALA 103 N 3.81 3.23 0.14 5.21 0.00 -0.34 -0.50 121.76 133.32 1ibq s ALA 103 Ca 0.26 -1.00 -0.34 0.00 0.00 0.00 0.00 51.96 50.88 1ibq s ALA 103 Cb -0.15 -3.62 -0.14 0.00 0.00 0.00 0.00 23.12 19.21 1ibq s ALA 103 CO 0.16 -2.13 1.57 0.00 0.00 0.00 0.00 175.76 175.36 1ibq n ALA 104 N 7.13 1.12 0.01 0.00 0.00 -0.43 -1.58 120.51 126.77 1ibq n ALA 104 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ibq n ALA 104 Cb 0.48 -2.33 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 1ibq n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ibq n SER 105 N 3.48 1.30 -3.58 0.00 2.88 -0.15 -3.75 113.62 113.81 1ibq n SER 105 Ca 0.17 -0.38 -0.14 0.00 -1.33 0.00 0.00 58.87 57.20 1ibq n SER 105 Cb 0.28 1.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.62 1ibq n SER 105 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ibq s LYS 106 N -1.30 0.20 0.05 -1.46 2.47 -1.11 -4.57 119.74 114.02 1ibq s LYS 106 Ca 0.00 0.60 0.08 0.00 -1.56 0.00 0.00 55.97 55.09 1ibq s LYS 106 Cb 0.00 -0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 35.98 1ibq s LYS 106 CO 0.02 -0.43 -0.22 -1.50 0.16 0.00 0.00 175.35 173.38 1ibq s ILE 107 N 2.43 1.81 -0.16 5.43 1.10 -1.26 -2.97 121.20 127.57 1ibq s ILE 107 Ca 0.04 -1.27 -0.24 0.00 -0.51 0.00 0.00 60.65 58.68 1ibq s ILE 107 Cb -0.13 -1.56 -0.02 0.00 0.15 0.00 0.00 42.46 40.89 1ibq s ILE 107 CO -0.11 0.24 0.75 -0.94 -2.11 0.00 0.00 174.94 172.77 1ibq s SER 108 N -1.22 6.88 0.19 4.50 1.04 -1.18 -4.94 113.70 118.98 1ibq s SER 108 Ca 0.09 1.08 0.12 0.00 0.48 0.00 0.00 55.95 57.71 1ibq s SER 108 Cb -0.09 -2.41 0.67 0.00 0.10 0.00 0.00 66.02 64.28 1ibq s SER 108 CO 0.02 -0.30 0.76 -1.54 0.98 0.00 0.00 173.24 173.15 1ibq n SER 109 N 4.88 0.15 -0.23 7.02 3.41 -1.26 0.52 113.62 128.11 1ibq n SER 109 Ca 0.02 0.76 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 1ibq n SER 109 Cb 0.50 -0.37 0.40 0.00 -0.26 0.00 0.00 64.21 64.47 1ibq n SER 109 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ibq h GLU 110 N 0.00 0.63 -0.02 4.33 4.81 -1.99 0.48 114.58 122.82 1ibq h GLU 110 Ca 0.41 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.40 1ibq h GLU 110 Cb 1.16 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1ibq h GLU 110 CO -0.33 0.42 -0.87 0.74 -0.73 0.00 0.00 179.01 178.24 1ibq h PHE 111 N 0.65 0.48 -0.50 0.92 0.04 -0.30 -2.81 116.94 115.41 1ibq h PHE 111 Ca 0.40 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 1ibq h PHE 111 Cb 0.64 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1ibq h PHE 111 CO -0.00 1.05 0.12 0.28 -0.60 0.00 0.00 178.31 179.15 1ibq h VAL 112 N 0.20 1.24 -0.29 -0.55 2.07 -0.97 -3.12 116.25 114.84 1ibq h VAL 112 Ca -0.06 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1ibq h VAL 112 Cb 1.48 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ibq h VAL 112 CO 0.14 0.31 0.04 1.56 0.02 0.00 0.00 177.57 179.64 1ibq h GLN 113 N 0.70 0.49 -4.90 1.57 4.20 -0.16 -3.34 115.11 113.67 1ibq h GLN 113 Ca 0.16 -0.14 -0.50 0.00 0.06 0.00 0.00 58.65 58.24 1ibq h GLN 113 Cb 0.34 -0.05 0.07 0.00 0.30 0.00 0.00 27.48 28.14 1ibq h GLN 113 CO 0.00 0.60 1.45 -3.47 -0.67 0.00 0.00 178.83 176.75 1ibq n ASP 114 N -4.63 1.83 -4.61 1.46 2.03 -1.06 -4.89 116.55 106.67 1ibq n ASP 114 Ca -0.03 -2.58 -0.30 0.00 0.52 0.00 0.00 54.79 52.40 1ibq n ASP 114 Cb 0.22 -1.04 0.19 0.00 -0.72 0.00 0.00 41.12 39.77 1ibq n ASP 114 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ibq s THR 115 N 8.34 2.11 0.00 5.18 -4.23 -1.25 -3.32 115.64 122.45 1ibq s THR 115 Ca 0.67 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1ibq s THR 115 Cb 0.10 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1ibq s THR 115 CO 0.22 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.26 1ibq n ALA 116 N -4.45 0.00 -2.31 3.99 0.00 -0.79 -4.97 120.51 111.98 1ibq n ALA 116 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1ibq n ALA 116 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1ibq n ALA 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ibq s ASN 117 N 0.00 6.82 0.00 0.00 3.84 -1.21 -4.65 114.94 119.74 1ibq s ASN 117 Ca 0.00 1.75 0.15 0.00 0.21 0.00 0.00 52.86 54.97 1ibq s ASN 117 Cb 0.00 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.54 1ibq s ASN 117 CO 0.00 -0.86 1.30 0.47 -2.79 0.00 0.00 177.10 175.21 1ibq n ASP 118 N 6.96 3.13 0.00 -4.21 8.00 -0.32 -4.97 116.55 125.14 1ibq n ASP 118 Ca 0.15 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1ibq n ASP 118 Cb 0.45 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1ibq n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibq n GLY 119 N 0.89 0.58 3.35 0.44 0.00 -1.26 -2.01 105.19 107.18 1ibq n GLY 119 Ca 0.15 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 1ibq n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibq s LEU 120 N 0.00 2.45 -0.28 0.99 1.02 -0.74 -1.37 118.68 120.75 1ibq s LEU 120 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.28 1ibq s LEU 120 Cb 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 46.19 45.43 1ibq s LEU 120 CO 0.00 -0.02 0.03 -0.22 0.02 0.00 0.00 176.35 176.16 1ibq s LEU 121 N -2.72 2.63 0.08 1.79 0.20 -0.74 -2.63 118.68 117.29 1ibq s LEU 121 Ca 0.17 -1.47 -0.31 0.00 0.69 0.00 0.00 54.13 53.21 1ibq s LEU 121 Cb -0.06 -1.06 -0.07 0.00 -0.43 0.00 0.00 46.19 44.58 1ibq s LEU 121 CO 0.07 -0.34 1.30 -0.83 -0.29 0.00 0.00 176.35 176.26 1ibq s GLY 122 N 1.46 2.16 -0.03 7.98 0.00 0.58 -1.59 107.32 117.89 1ibq s GLY 122 Ca 0.04 0.97 0.04 0.00 0.00 0.00 0.00 44.72 45.76 1ibq s GLY 122 CO -0.14 2.22 1.02 1.04 0.00 0.00 0.00 173.10 177.24 1ibq n LEU 123 N 4.06 2.04 0.00 0.66 4.32 0.33 -4.20 117.00 124.22 1ibq n LEU 123 Ca 0.10 -2.19 -0.18 0.00 -0.02 0.00 0.00 56.01 53.72 1ibq n LEU 123 Cb 0.44 -0.09 0.12 0.00 -1.62 0.00 0.00 43.42 42.27 1ibq n LEU 123 CO 0.57 0.54 0.51 0.00 -1.22 0.00 0.00 177.39 177.79 1ibq n ALA 124 N -0.68 -0.57 -1.78 -1.18 0.00 0.10 -4.78 120.51 111.62 1ibq n ALA 124 Ca 0.03 -1.23 -0.36 0.00 0.00 0.00 0.00 53.44 51.88 1ibq n ALA 124 Cb 0.33 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1ibq n ALA 124 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ibq s PHE 125 N -2.59 2.98 -0.25 0.00 0.40 -0.75 -4.72 117.98 113.06 1ibq s PHE 125 Ca 0.48 1.58 0.27 0.00 -0.60 0.00 0.00 56.93 58.66 1ibq s PHE 125 Cb -0.02 -3.22 1.18 0.00 0.51 0.00 0.00 43.02 41.47 1ibq s PHE 125 CO 0.33 -1.11 1.80 0.77 0.70 0.00 0.00 175.22 177.71 1ibq h SER 126 N 1.92 0.00 -0.20 1.36 0.02 -1.89 -3.02 113.55 111.74 1ibq h SER 126 Ca -0.49 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.52 1ibq h SER 126 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1ibq h SER 126 CO 0.60 0.00 0.20 0.77 -1.14 0.00 0.00 176.83 177.25 1ibq h SER 127 N 0.00 0.00 -0.55 3.07 4.64 -1.91 -2.07 113.55 116.73 1ibq h SER 127 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ibq h SER 127 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ibq h SER 127 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1ibq n ILE 128 N -3.96 0.89 -1.63 0.95 -5.35 -1.14 -4.97 119.36 104.14 1ibq n ILE 128 Ca 0.02 -0.94 -0.41 0.00 -0.27 0.00 0.00 62.75 61.15 1ibq n ILE 128 Cb 0.33 0.60 0.02 0.00 -1.74 0.00 0.00 39.64 38.85 1ibq n ILE 128 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1ibq n ASN 129 N 1.28 1.45 -0.91 7.28 2.85 -0.78 -4.81 115.26 121.62 1ibq n ASN 129 Ca 0.20 1.02 0.09 0.00 -0.11 0.00 0.00 54.58 55.78 1ibq n ASN 129 Cb 0.55 -1.39 0.17 0.00 1.24 0.00 0.00 39.78 40.36 1ibq n ASN 129 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ibq n THR 130 N -0.58 0.50 -1.71 -0.44 -2.24 -1.26 -4.74 114.28 103.81 1ibq n THR 130 Ca 0.09 -0.75 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 1ibq n THR 130 Cb 0.40 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1ibq n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ibq n VAL 131 N 1.12 2.63 -4.57 2.28 0.31 -1.26 -4.50 118.33 114.34 1ibq n VAL 131 Ca 0.15 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.74 1ibq n VAL 131 Cb 0.51 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 1ibq n VAL 131 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ibq s GLN 132 N -2.26 1.30 0.07 5.55 -1.52 0.30 -3.52 119.66 119.58 1ibq s GLN 132 Ca 0.61 -0.93 0.27 0.00 -1.95 0.00 0.00 55.36 53.37 1ibq s GLN 132 Cb -0.50 -1.41 1.08 0.00 -0.22 0.00 0.00 33.01 31.96 1ibq s GLN 132 CO 0.58 0.36 1.86 -0.35 -0.25 0.00 0.00 175.29 177.48 1ibq n PRO 133 N 1.80 0.08 -4.46 2.91 -0.04 -1.26 -0.43 135.00 133.60 1ibq n PRO 133 Ca -0.17 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 1ibq n PRO 133 Cb 0.54 -1.60 -0.17 0.00 -0.04 0.00 0.00 33.50 32.23 1ibq n PRO 133 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ibq s LYS 134 N -3.04 2.11 0.56 0.54 1.02 -1.26 -5.12 119.74 114.56 1ibq s LYS 134 Ca 0.12 -0.52 -0.19 0.00 0.02 0.00 0.00 55.97 55.40 1ibq s LYS 134 Cb 0.16 -1.80 -0.07 0.00 -0.52 0.00 0.00 37.83 35.60 1ibq s LYS 134 CO 0.54 -0.05 0.82 0.00 -0.92 0.00 0.00 175.35 175.73 1ibq n ALA 135 N 4.17 -0.28 -2.49 5.17 0.00 -1.23 -4.75 120.51 121.09 1ibq n ALA 135 Ca -0.19 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1ibq n ALA 135 Cb 0.51 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.88 1ibq n ALA 135 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ibq s GLN 136 N -2.39 2.21 0.11 0.00 -1.52 -1.26 -5.00 119.66 111.81 1ibq s GLN 136 Ca 0.71 -1.76 -0.08 0.00 -1.95 0.00 0.00 55.36 52.28 1ibq s GLN 136 Cb -0.45 -2.00 -0.06 0.00 -0.22 0.00 0.00 33.01 30.28 1ibq s GLN 136 CO 0.51 0.00 0.40 0.95 -0.25 0.00 0.00 175.29 176.91 1ibq s THR 137 N -2.54 5.11 1.03 -0.19 -4.23 -1.26 -4.68 115.64 108.87 1ibq s THR 137 Ca 0.38 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.07 1ibq s THR 137 Cb 0.02 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.43 1ibq s THR 137 CO 0.22 0.17 1.09 0.42 -0.54 0.00 0.00 174.62 175.97 1ibq s THR 138 N -1.52 2.04 0.11 3.99 -4.23 -1.26 -4.68 115.64 110.08 1ibq s THR 138 Ca 0.37 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.66 1ibq s THR 138 Cb -0.13 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 1ibq s THR 138 CO 0.20 -0.02 1.70 0.15 -0.54 0.00 0.00 174.62 176.12 1ibq h PHE 139 N -2.01 -0.21 -0.96 3.99 3.57 -1.92 -1.75 116.94 117.65 1ibq h PHE 139 Ca -0.56 0.01 0.03 0.00 3.53 0.00 0.00 57.97 60.98 1ibq h PHE 139 Cb 1.33 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.11 1ibq h PHE 139 CO 0.28 -0.13 0.63 0.35 -2.23 0.00 0.00 178.31 177.21 1ibq h PHE 140 N -0.14 1.17 -0.69 0.41 3.57 -1.91 -1.59 116.94 117.76 1ibq h PHE 140 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1ibq h PHE 140 Cb 0.18 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1ibq h PHE 140 CO -0.16 0.69 0.21 0.22 -2.23 0.00 0.00 178.31 177.04 1ibq h ASP 141 N 1.22 1.00 0.08 0.41 -0.00 -1.82 -0.35 116.42 116.94 1ibq h ASP 141 Ca 0.38 -0.18 -0.21 0.00 -0.00 0.00 0.00 57.03 57.02 1ibq h ASP 141 Cb -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.06 1ibq h ASP 141 CO -0.11 0.93 -0.78 0.74 -0.00 0.00 0.00 179.24 180.02 1ibq h THR 142 N 1.02 1.33 -0.29 2.25 2.02 -0.50 -3.21 112.91 115.54 1ibq h THR 142 Ca 0.22 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1ibq h THR 142 Cb 0.30 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1ibq h THR 142 CO -0.01 0.65 0.00 1.33 0.37 0.00 0.00 175.52 177.86 1ibq n VAL 143 N -3.87 0.40 -0.26 3.16 0.24 -0.68 -4.63 118.33 112.69 1ibq n VAL 143 Ca -0.06 -0.70 0.05 0.00 -2.04 0.00 0.00 64.34 61.59 1ibq n VAL 143 Cb 0.74 1.07 0.16 0.00 -1.47 0.00 0.00 33.84 34.34 1ibq n VAL 143 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ibq h LYS 144 N 4.13 0.10 0.00 7.34 3.64 -1.06 -0.21 116.57 130.51 1ibq h LYS 144 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ibq h LYS 144 Cb 0.92 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1ibq h LYS 144 CO 0.00 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 177.90 1ibq h SER 145 N 0.10 0.00 1.36 4.20 4.64 -1.82 -2.77 113.55 119.26 1ibq h SER 145 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1ibq h SER 145 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ibq h SER 145 CO -0.67 0.00 -0.14 1.56 -0.87 0.00 0.00 176.83 176.71 1ibq h GLN 146 N 0.00 0.00 -6.95 4.77 4.20 -1.36 -3.46 115.11 112.30 1ibq h GLN 146 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1ibq h GLN 146 Cb 0.65 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.46 1ibq h GLN 146 CO 0.00 0.00 0.13 -0.51 -0.67 0.00 0.00 178.83 177.78 1ibq s LEU 147 N -4.54 3.62 0.02 1.46 1.43 -1.05 -0.71 118.68 118.92 1ibq s LEU 147 Ca 0.09 0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 53.91 1ibq s LEU 147 Cb 0.12 -3.93 -0.17 0.00 0.03 0.00 0.00 46.19 42.24 1ibq s LEU 147 CO 0.63 -0.58 1.37 0.44 0.23 0.00 0.00 176.35 178.44 1ibq h ASP 148 N 0.28 -0.24 -3.78 2.29 3.45 -1.39 -3.42 116.42 113.60 1ibq h ASP 148 Ca -0.47 -0.19 -0.68 0.00 0.43 0.00 0.00 57.03 56.12 1ibq h ASP 148 Cb 1.20 0.06 -0.20 0.00 -0.56 0.00 0.00 39.33 39.84 1ibq h ASP 148 CO 0.62 0.07 -0.73 -0.44 -1.57 0.00 0.00 179.24 177.19 1ibq s SER 149 N -5.18 4.35 -1.48 6.45 0.01 -0.98 -5.02 113.70 111.86 1ibq s SER 149 Ca -0.15 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 1ibq s SER 149 Cb 0.03 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.32 1ibq s SER 149 CO 0.60 0.31 2.34 -0.81 0.41 0.00 0.00 173.24 176.09 1ibq n PRO 150 N 1.87 3.06 -3.96 12.44 -0.04 -1.26 -4.26 135.00 142.85 1ibq n PRO 150 Ca -0.16 -2.59 -0.10 0.00 -0.04 0.00 0.00 63.50 60.61 1ibq n PRO 150 Cb 0.52 -3.18 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 1ibq n PRO 150 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1ibq s LEU 151 N 1.67 0.27 0.07 1.53 0.05 -1.26 -2.61 118.68 118.39 1ibq s LEU 151 Ca 0.51 -1.00 -0.04 0.00 0.05 0.00 0.00 54.13 53.65 1ibq s LEU 151 Cb 0.15 2.08 -0.03 0.00 -2.05 0.00 0.00 46.19 46.34 1ibq s LEU 151 CO -0.08 -1.30 0.05 0.72 -0.55 0.00 0.00 176.35 175.19 1ibq s PHE 152 N -3.55 0.40 0.06 3.48 -0.71 -0.83 -1.32 117.98 115.50 1ibq s PHE 152 Ca 0.20 -0.91 0.03 0.00 -1.04 0.00 0.00 56.93 55.22 1ibq s PHE 152 Cb -0.02 -0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 1ibq s PHE 152 CO 0.11 -0.44 -0.10 0.00 -1.34 0.00 0.00 175.22 173.45 1ibq s ALA 153 N -3.90 0.88 -0.05 1.99 0.00 0.17 -0.36 121.76 120.48 1ibq s ALA 153 Ca 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1ibq s ALA 153 Cb 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1ibq s ALA 153 CO -0.10 0.04 -0.08 0.54 0.00 0.00 0.00 175.76 176.16 1ibq s VAL 154 N -1.55 0.81 -0.44 0.00 0.11 0.59 -0.51 120.40 119.41 1ibq s VAL 154 Ca -0.04 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1ibq s VAL 154 Cb -0.09 -0.77 0.12 0.00 -1.53 0.00 0.00 36.38 34.11 1ibq s VAL 154 CO 0.01 0.28 0.20 -1.58 -3.33 0.00 0.00 175.10 170.68 1ibq s GLN 155 N 0.71 1.59 0.30 1.54 0.74 -0.47 -1.73 119.66 122.35 1ibq s GLN 155 Ca -0.12 -2.18 -0.14 0.00 0.05 0.00 0.00 55.36 52.97 1ibq s GLN 155 Cb -0.14 -2.94 -0.09 0.00 1.10 0.00 0.00 33.01 30.94 1ibq s GLN 155 CO 0.02 -1.08 0.70 -0.51 -0.55 0.00 0.00 175.29 173.87 1ibq s LEU 156 N 0.28 4.09 0.07 3.68 1.43 -1.26 -1.32 118.68 125.65 1ibq s LEU 156 Ca 0.15 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.52 1ibq s LEU 156 Cb -0.23 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 1ibq s LEU 156 CO -0.04 -0.18 -0.14 -0.54 0.23 0.00 0.00 176.35 175.69 1ibq s LYS 157 N -2.93 0.81 -0.33 1.70 1.02 -1.26 -4.43 119.74 114.33 1ibq s LYS 157 Ca 0.53 -0.95 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 1ibq s LYS 157 Cb -0.11 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1ibq s LYS 157 CO 0.18 0.18 1.78 -1.58 -0.92 0.00 0.00 175.35 174.98 1ibq s HIS 158 N -1.30 1.84 -1.32 3.18 5.65 -1.26 -3.61 115.29 118.47 1ibq s HIS 158 Ca -0.02 0.61 -0.10 0.00 0.25 0.00 0.00 55.06 55.80 1ibq s HIS 158 Cb -0.10 -4.14 0.00 0.00 -1.18 0.00 0.00 32.58 27.17 1ibq s HIS 158 CO 0.02 -2.93 0.52 -0.25 -0.65 0.00 0.00 174.74 171.45 1ibq n ASP 159 N 10.13 -2.03 -3.58 9.88 8.00 -1.26 -4.96 116.55 132.72 1ibq n ASP 159 Ca 0.22 -1.07 -0.11 0.00 0.71 0.00 0.00 54.79 54.54 1ibq n ASP 159 Cb 0.47 -2.86 -0.06 0.00 -0.02 0.00 0.00 41.12 38.65 1ibq n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibq s ALA 160 N -3.81 -1.92 0.23 2.24 0.00 -1.24 -5.05 121.76 112.22 1ibq s ALA 160 Ca 0.19 1.63 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 1ibq s ALA 160 Cb -0.08 -0.79 -0.14 0.00 0.00 0.00 0.00 23.12 22.11 1ibq s ALA 160 CO 0.90 -0.30 1.33 -2.30 0.00 0.00 0.00 175.76 175.39 1ibq n PRO 161 N 1.14 1.83 -1.51 0.00 -0.02 -1.26 -4.15 135.00 131.04 1ibq n PRO 161 Ca -0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1ibq n PRO 161 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1ibq n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibq n GLY 162 N 2.01 3.48 3.14 -1.23 0.00 0.21 -4.70 105.19 108.11 1ibq n GLY 162 Ca 0.12 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 1ibq n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibq s VAL 163 N -0.13 0.10 -0.25 1.61 0.11 -0.44 -0.52 120.40 120.88 1ibq s VAL 163 Ca 0.00 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1ibq s VAL 163 Cb 0.00 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1ibq s VAL 163 CO 0.00 -0.43 -0.10 -0.31 -3.33 0.00 0.00 175.10 170.93 1ibq s TYR 164 N -1.88 3.15 -0.23 1.54 2.02 0.14 -1.36 117.35 120.72 1ibq s TYR 164 Ca -0.11 -1.99 -0.14 0.00 -0.37 0.00 0.00 57.07 54.46 1ibq s TYR 164 Cb -0.05 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1ibq s TYR 164 CO -0.00 -0.83 0.33 -0.51 -1.57 0.00 0.00 175.55 172.97 1ibq s ASP 165 N 1.20 6.29 -0.29 2.29 -0.00 0.34 -1.55 116.67 124.96 1ibq s ASP 165 Ca -0.04 0.34 -0.05 0.00 -0.00 0.00 0.00 52.55 52.79 1ibq s ASP 165 Cb -0.18 -2.19 0.02 0.00 -0.00 0.00 0.00 42.92 40.56 1ibq s ASP 165 CO -0.06 -0.08 0.04 -0.36 -0.00 0.00 0.00 175.17 174.71 1ibq s PHE 166 N 1.52 3.14 0.00 4.23 0.08 -0.97 0.44 117.98 126.42 1ibq s PHE 166 Ca 0.15 -1.25 0.00 0.00 0.12 0.00 0.00 56.93 55.94 1ibq s PHE 166 Cb -0.15 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1ibq s PHE 166 CO 0.08 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 1ibq n GLY 167 N 4.79 0.35 3.51 4.36 0.00 -0.44 -0.91 105.19 116.85 1ibq n GLY 167 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1ibq n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibq s TYR 168 N -2.00 -0.40 -0.22 1.61 1.13 -1.26 -2.32 117.35 113.88 1ibq s TYR 168 Ca 0.00 0.20 -0.11 0.00 -1.41 0.00 0.00 57.07 55.74 1ibq s TYR 168 Cb 0.00 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.38 1ibq s TYR 168 CO 0.00 -0.75 0.19 0.42 -2.51 0.00 0.00 175.55 172.90 1ibq s ILE 169 N -3.47 5.35 -0.85 -3.49 1.01 -1.26 -4.65 121.20 113.84 1ibq s ILE 169 Ca 0.04 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 1ibq s ILE 169 Cb -0.01 -3.53 0.15 0.00 0.01 0.00 0.00 42.46 39.08 1ibq s ILE 169 CO -0.09 0.36 0.96 -0.62 0.00 0.00 0.00 174.94 175.55 1ibq s ASP 170 N 0.87 6.59 0.62 3.58 3.68 -1.26 -4.92 116.67 125.84 1ibq s ASP 170 Ca 0.10 -2.12 0.24 0.00 2.13 0.00 0.00 52.55 52.90 1ibq s ASP 170 Cb -0.13 -2.33 1.12 0.00 -1.45 0.00 0.00 42.92 40.13 1ibq s ASP 170 CO 0.03 -0.94 1.59 0.44 0.13 0.00 0.00 175.17 176.42 1ibq h ASP 171 N 8.60 0.00 0.99 -0.34 3.45 -1.96 0.59 116.42 127.75 1ibq h ASP 171 Ca 0.07 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.33 1ibq h ASP 171 Cb 1.04 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.78 1ibq h ASP 171 CO 1.01 0.00 -1.06 0.77 -1.57 0.00 0.00 179.24 178.39 1ibq h SER 172 N 0.00 0.00 0.25 6.45 4.64 -2.03 -3.32 113.55 119.54 1ibq h SER 172 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1ibq h SER 172 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1ibq h SER 172 CO -0.00 0.85 0.00 0.29 -0.87 0.00 0.00 176.83 177.10 1ibq n LYS 173 N -3.23 0.08 -4.29 4.77 4.76 0.20 -4.61 118.16 115.84 1ibq n LYS 173 Ca -0.03 0.48 -0.19 0.00 -2.87 0.00 0.00 58.31 55.69 1ibq n LYS 173 Cb 0.91 -1.72 -0.08 0.00 -1.84 0.00 0.00 35.03 32.30 1ibq n LYS 173 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1ibq s TYR 174 N -3.23 1.72 0.36 2.13 1.13 -1.25 -2.16 117.35 116.05 1ibq s TYR 174 Ca 0.01 -1.62 0.03 0.00 -1.41 0.00 0.00 57.07 54.09 1ibq s TYR 174 Cb 0.06 -0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 40.14 1ibq s TYR 174 CO 0.19 -0.81 0.11 -0.08 -2.51 0.00 0.00 175.55 172.45 1ibq s THR 175 N -3.48 0.73 0.00 -3.49 -1.32 -0.47 -4.54 115.64 103.07 1ibq s THR 175 Ca 0.39 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1ibq s THR 175 Cb 0.03 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1ibq s THR 175 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1ibq n GLY 176 N -0.76 2.25 3.06 6.08 0.00 -1.26 -4.27 105.19 110.29 1ibq n GLY 176 Ca -0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1ibq n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibq s SER 177 N -4.00 1.05 0.01 1.61 1.04 -1.26 -5.07 113.70 107.08 1ibq s SER 177 Ca 0.00 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 1ibq s SER 177 Cb 0.00 -0.03 -0.06 0.00 0.10 0.00 0.00 66.02 66.02 1ibq s SER 177 CO 0.00 -0.06 1.50 -0.63 0.98 0.00 0.00 173.24 175.03 1ibq s ILE 178 N -0.91 3.51 -0.19 -1.02 1.01 -1.26 -4.72 121.20 117.62 1ibq s ILE 178 Ca -0.03 0.88 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 1ibq s ILE 178 Cb -0.07 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1ibq s ILE 178 CO 0.01 -0.01 0.17 -0.89 0.00 0.00 0.00 174.94 174.22 1ibq s THR 179 N 2.70 5.38 0.15 2.92 2.01 0.34 -4.86 115.64 124.28 1ibq s THR 179 Ca 0.68 0.29 0.05 0.00 0.31 0.00 0.00 61.69 63.02 1ibq s THR 179 Cb -0.34 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1ibq s THR 179 CO 0.28 0.43 0.09 -0.31 -0.69 0.00 0.00 174.62 174.42 1ibq s TYR 180 N 0.38 3.08 -0.00 4.92 2.02 -1.26 -0.21 117.35 126.27 1ibq s TYR 180 Ca 0.10 -0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.65 1ibq s TYR 180 Cb -0.12 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1ibq s TYR 180 CO -0.00 0.52 0.25 -0.08 -1.57 0.00 0.00 175.55 174.66 1ibq s THR 181 N -1.66 0.07 0.33 -0.71 -1.32 -0.34 -5.00 115.64 107.01 1ibq s THR 181 Ca 0.30 -0.58 -0.28 0.00 -1.21 0.00 0.00 61.69 59.92 1ibq s THR 181 Cb -0.10 -0.60 -0.10 0.00 -1.51 0.00 0.00 72.50 70.19 1ibq s THR 181 CO 0.22 -0.32 1.22 -1.81 -2.21 0.00 0.00 174.62 171.72 1ibq s ASP 182 N -1.44 6.85 -0.23 8.08 -0.00 -1.26 -1.10 116.67 127.57 1ibq s ASP 182 Ca -0.13 2.50 -0.07 0.00 -0.00 0.00 0.00 52.55 54.84 1ibq s ASP 182 Cb -0.05 -2.64 -0.03 0.00 -0.00 0.00 0.00 42.92 40.20 1ibq s ASP 182 CO 0.03 -0.46 0.07 0.00 -0.00 0.00 0.00 175.17 174.81 1ibq s ALA 183 N -1.21 3.24 -0.53 5.23 0.00 -0.98 -4.56 121.76 122.95 1ibq s ALA 183 Ca 0.50 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1ibq s ALA 183 Cb -0.36 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1ibq s ALA 183 CO 0.46 -0.31 0.74 0.34 0.00 0.00 0.00 175.76 176.99 1ibq s ASP 184 N 1.28 6.25 -0.23 0.00 2.15 -0.24 -4.36 116.67 121.52 1ibq s ASP 184 Ca 0.05 -0.80 0.09 0.00 0.43 0.00 0.00 52.55 52.32 1ibq s ASP 184 Cb -0.15 -2.34 0.60 0.00 -0.30 0.00 0.00 42.92 40.74 1ibq s ASP 184 CO 0.04 -1.03 1.53 -1.54 -0.17 0.00 0.00 175.17 173.99 1ibq n SER 185 N 6.62 4.37 -0.11 -0.34 3.41 -1.25 -2.78 113.62 123.54 1ibq n SER 185 Ca -0.04 -2.86 -0.06 0.00 -0.26 0.00 0.00 58.87 55.65 1ibq n SER 185 Cb 0.46 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 1ibq n SER 185 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ibq h SER 186 N 2.46 -0.66 -0.60 4.04 4.64 -1.91 -1.32 113.55 120.20 1ibq h SER 186 Ca 0.13 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ibq h SER 186 Cb 1.86 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 64.30 1ibq h SER 186 CO 0.51 -0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1ibq n GLN 187 N -5.37 2.98 -0.41 4.77 6.02 -1.26 -4.90 117.38 119.22 1ibq n GLN 187 Ca 0.02 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.61 1ibq n GLN 187 Cb 0.28 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1ibq n GLN 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ibq n GLY 188 N 1.24 0.84 4.01 1.08 0.00 -0.50 -4.98 105.19 106.88 1ibq n GLY 188 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 1ibq n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ibq s TYR 189 N -2.88 2.54 -1.12 1.61 2.02 -1.26 -1.80 117.35 116.45 1ibq s TYR 189 Ca 0.00 -0.47 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 1ibq s TYR 189 Cb 0.00 -2.34 0.21 0.00 -0.40 0.00 0.00 41.96 39.43 1ibq s TYR 189 CO 0.00 -0.55 1.24 -1.58 -1.57 0.00 0.00 175.55 173.09 1ibq s TRP 190 N -2.42 3.76 0.36 2.71 0.52 -1.26 -3.90 118.94 118.71 1ibq s TRP 190 Ca 0.56 -2.25 0.01 0.00 0.02 0.00 0.00 56.10 54.44 1ibq s TRP 190 Cb -0.09 -4.10 -0.03 0.00 -1.15 0.00 0.00 33.47 28.10 1ibq s TRP 190 CO 0.34 -1.22 0.56 0.20 0.02 0.00 0.00 176.95 176.86 1ibq s GLY 191 N 2.32 1.37 0.30 0.98 0.00 -1.12 -1.01 107.32 110.17 1ibq s GLY 191 Ca 0.36 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1ibq s GLY 191 CO -0.04 -0.86 0.41 1.97 0.00 0.00 0.00 173.10 174.57 1ibq n PHE 192 N -1.82 -1.27 -3.62 1.90 -1.74 -0.09 -1.08 117.46 109.75 1ibq n PHE 192 Ca -0.04 -2.06 -0.29 0.00 -0.56 0.00 0.00 57.45 54.50 1ibq n PHE 192 Cb 0.56 0.46 -0.13 0.00 1.52 0.00 0.00 39.48 41.90 1ibq n PHE 192 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1ibq s SER 193 N -2.89 3.40 0.66 5.98 0.01 -1.26 -1.50 113.70 118.10 1ibq s SER 193 Ca 0.26 -2.43 -0.17 0.00 1.31 0.00 0.00 55.95 54.92 1ibq s SER 193 Cb -0.01 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 1ibq s SER 193 CO 0.18 -0.29 0.91 0.35 0.41 0.00 0.00 173.24 174.80 1ibq n THR 194 N 3.77 3.24 0.59 1.44 -2.24 -0.78 -4.86 114.28 115.44 1ibq n THR 194 Ca 0.10 -0.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1ibq n THR 194 Cb 0.36 -1.07 0.24 0.00 -2.10 0.00 0.00 70.33 67.75 1ibq n THR 194 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ibq n ASP 195 N -1.02 0.73 0.00 3.42 8.00 -0.04 -2.81 116.55 124.84 1ibq n ASP 195 Ca 0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1ibq n ASP 195 Cb 0.48 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1ibq n ASP 195 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibq n GLY 196 N 1.33 -1.88 3.10 0.44 0.00 -1.21 -3.23 105.19 103.73 1ibq n GLY 196 Ca 0.04 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1ibq n GLY 196 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibq s TYR 197 N -2.20 0.64 0.01 1.61 1.13 -1.26 0.40 117.35 117.69 1ibq s TYR 197 Ca 0.00 -0.89 0.03 0.00 -1.41 0.00 0.00 57.07 54.80 1ibq s TYR 197 Cb 0.00 -0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1ibq s TYR 197 CO 0.00 -0.24 -0.09 0.45 -2.51 0.00 0.00 175.55 173.15 1ibq s SER 198 N -2.66 1.10 -0.17 -0.18 0.15 0.14 0.15 113.70 112.23 1ibq s SER 198 Ca 0.04 -0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 1ibq s SER 198 Cb 0.03 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1ibq s SER 198 CO -0.06 0.04 -0.07 -0.63 1.20 0.00 0.00 173.24 173.72 1ibq s ILE 199 N -0.53 3.41 0.00 6.45 1.01 -1.26 -0.98 121.20 129.30 1ibq s ILE 199 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1ibq s ILE 199 Cb -0.05 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1ibq s ILE 199 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1ibq n GLY 200 N 4.06 3.46 0.49 6.18 0.00 0.07 -1.24 105.19 118.21 1ibq n GLY 200 Ca -0.18 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1ibq n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ibq n ASP 201 N 5.48 1.97 -3.72 1.61 10.43 -1.26 -4.81 116.55 126.26 1ibq n ASP 201 Ca 0.00 -1.48 -0.26 0.00 2.57 0.00 0.00 54.79 55.63 1ibq n ASP 201 Cb 0.00 0.43 0.22 0.00 1.84 0.00 0.00 41.12 43.61 1ibq n ASP 201 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ibq n GLY 202 N 1.41 -2.91 3.88 0.44 0.00 -0.37 -4.98 105.19 102.67 1ibq n GLY 202 Ca 0.10 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1ibq n GLY 202 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibq s SER 203 N -2.36 5.99 0.71 1.61 1.04 -1.26 -4.61 113.70 114.83 1ibq s SER 203 Ca 0.54 1.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1ibq s SER 203 Cb -0.12 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1ibq s SER 203 CO 0.51 -0.95 1.10 -0.55 0.98 0.00 0.00 173.24 174.32 1ibq s SER 204 N -4.22 4.83 0.29 7.02 0.15 -1.26 -4.45 113.70 116.05 1ibq s SER 204 Ca 0.54 1.91 -0.14 0.00 0.70 0.00 0.00 55.95 58.97 1ibq s SER 204 Cb -0.11 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 1ibq s SER 204 CO 0.51 -1.82 0.69 -0.55 1.20 0.00 0.00 173.24 173.27 1ibq s SER 205 N -2.98 6.76 0.08 5.45 0.15 0.12 -4.95 113.70 118.35 1ibq s SER 205 Ca 0.64 1.20 0.20 0.00 0.70 0.00 0.00 55.95 58.69 1ibq s SER 205 Cb -0.19 -2.34 -0.12 0.00 -1.71 0.00 0.00 66.02 61.66 1ibq s SER 205 CO 0.48 -0.15 0.80 -1.54 1.20 0.00 0.00 173.24 174.04 1ibq n SER 206 N -0.21 0.67 -4.37 5.45 3.41 -1.26 -4.41 113.62 112.91 1ibq n SER 206 Ca 0.02 0.28 -0.46 0.00 -0.26 0.00 0.00 58.87 58.45 1ibq n SER 206 Cb 0.53 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 1ibq n SER 206 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ibq s SER 207 N -5.42 6.62 1.28 4.04 0.15 -1.26 -4.93 113.70 114.17 1ibq s SER 207 Ca -0.03 -2.30 -0.18 0.00 0.70 0.00 0.00 55.95 54.14 1ibq s SER 207 Cb 0.10 -2.27 0.32 0.00 -1.71 0.00 0.00 66.02 62.45 1ibq s SER 207 CO 0.82 -0.79 1.00 -0.83 1.20 0.00 0.00 173.24 174.64 1ibq s GLY 208 N 2.84 1.49 0.26 9.45 0.00 -1.20 -4.79 107.32 115.37 1ibq s GLY 208 Ca 0.20 -0.62 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 1ibq s GLY 208 CO -0.06 0.26 0.36 -0.11 0.00 0.00 0.00 173.10 173.55 1ibq s PHE 209 N -2.52 0.83 -0.10 1.90 -0.12 -1.12 -4.92 117.98 111.93 1ibq s PHE 209 Ca 0.69 -1.10 0.03 0.00 -0.05 0.00 0.00 56.93 56.49 1ibq s PHE 209 Cb -0.16 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.07 1ibq s PHE 209 CO 0.60 -0.91 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.13 1ibq s SER 210 N -3.13 3.58 0.17 1.98 1.04 -1.26 -1.87 113.70 114.21 1ibq s SER 210 Ca 0.30 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1ibq s SER 210 Cb 0.02 -1.31 -0.01 0.00 0.10 0.00 0.00 66.02 64.82 1ibq s SER 210 CO 0.13 0.20 0.12 0.00 0.98 0.00 0.00 173.24 174.67 1ibq n ALA 211 N 3.25 0.32 -2.23 5.32 0.00 -0.56 -4.37 120.51 122.24 1ibq n ALA 211 Ca -0.18 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 1ibq n ALA 211 Cb 0.53 0.73 -0.10 0.00 0.00 0.00 0.00 19.45 20.60 1ibq n ALA 211 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ibq s ILE 212 N -2.55 0.94 -0.51 0.00 -4.36 -1.09 -0.91 121.20 112.72 1ibq s ILE 212 Ca 0.17 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.48 1ibq s ILE 212 Cb 0.01 -1.74 0.13 0.00 1.25 0.00 0.00 42.46 42.11 1ibq s ILE 212 CO 0.12 -0.79 0.40 0.00 0.24 0.00 0.00 174.94 174.90 1ibq s ALA 213 N -3.40 3.48 -0.35 2.27 0.00 -0.18 -1.95 121.76 121.63 1ibq s ALA 213 Ca 0.14 -2.62 0.02 0.00 0.00 0.00 0.00 51.96 49.50 1ibq s ALA 213 Cb 0.03 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.33 1ibq s ALA 213 CO -0.02 -1.95 0.07 0.34 0.00 0.00 0.00 175.76 174.20 1ibq s ASP 214 N 2.68 4.86 0.06 0.00 3.68 -1.18 -4.50 116.67 122.28 1ibq s ASP 214 Ca 0.07 -2.01 0.17 0.00 2.13 0.00 0.00 52.55 52.90 1ibq s ASP 214 Cb -0.26 -1.67 0.70 0.00 -1.45 0.00 0.00 42.92 40.24 1ibq s ASP 214 CO -0.01 -0.39 1.52 0.35 0.13 0.00 0.00 175.17 176.77 1ibq n THR 215 N 4.37 0.97 1.44 1.71 -2.24 -1.26 -2.10 114.28 117.17 1ibq n THR 215 Ca -0.00 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.17 1ibq n THR 215 Cb 0.42 -1.04 0.55 0.00 -2.10 0.00 0.00 70.33 68.15 1ibq n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibq n GLY 216 N -0.01 -0.57 3.50 3.38 0.00 -1.25 -4.74 105.19 105.50 1ibq n GLY 216 Ca 0.03 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1ibq n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibq s THR 217 N -2.30 3.62 -0.07 2.61 2.01 -0.89 -5.04 115.64 115.58 1ibq s THR 217 Ca 0.32 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 1ibq s THR 217 Cb 0.20 -2.53 -0.22 0.00 0.01 0.00 0.00 72.50 69.97 1ibq s THR 217 CO 0.44 0.54 1.06 0.74 -0.69 0.00 0.00 174.62 176.70 1ibq h THR 218 N 4.84 1.47 -0.79 -0.82 2.02 -1.81 -3.03 112.91 114.79 1ibq h THR 218 Ca -0.37 -1.55 -0.50 0.00 0.77 0.00 0.00 66.41 64.76 1ibq h THR 218 Cb 1.19 2.51 0.02 0.00 -1.74 0.00 0.00 68.15 70.12 1ibq h THR 218 CO 0.57 0.39 -0.13 -0.76 0.37 0.00 0.00 175.52 175.97 1ibq s LEU 219 N -8.86 3.08 -0.44 2.58 1.43 -1.16 -1.11 118.68 114.20 1ibq s LEU 219 Ca -0.17 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 51.89 1ibq s LEU 219 Cb -0.00 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.64 1ibq s LEU 219 CO 0.66 -1.29 0.41 -0.63 0.23 0.00 0.00 176.35 175.72 1ibq s ILE 220 N -2.67 5.15 -0.51 -0.59 1.01 -0.92 -2.57 121.20 120.11 1ibq s ILE 220 Ca 0.59 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 1ibq s ILE 220 Cb -0.05 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.45 1ibq s ILE 220 CO 0.37 -0.47 0.48 -0.76 0.00 0.00 0.00 174.94 174.56 1ibq s LEU 221 N 1.94 5.75 0.44 2.97 1.43 -0.51 -1.39 118.68 129.31 1ibq s LEU 221 Ca 0.08 -1.47 0.07 0.00 -1.03 0.00 0.00 54.13 51.78 1ibq s LEU 221 Cb -0.20 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1ibq s LEU 221 CO 0.11 -0.79 0.26 -0.76 0.23 0.00 0.00 176.35 175.41 1ibq s LEU 222 N 1.80 3.06 0.38 1.79 1.43 -0.96 -0.52 118.68 125.66 1ibq s LEU 222 Ca 0.05 -1.06 -0.25 0.00 -1.03 0.00 0.00 54.13 51.84 1ibq s LEU 222 Cb -0.26 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 1ibq s LEU 222 CO 0.06 -0.70 1.05 -1.81 0.23 0.00 0.00 176.35 175.18 1ibq s ASP 223 N -4.03 6.85 0.30 2.29 -0.00 -1.26 -2.37 116.67 118.45 1ibq s ASP 223 Ca 0.40 2.05 -0.00 0.00 -0.00 0.00 0.00 52.55 55.00 1ibq s ASP 223 Cb 0.01 -2.59 0.70 0.00 -0.00 0.00 0.00 42.92 41.03 1ibq s ASP 223 CO 0.23 -0.43 1.55 0.47 -0.00 0.00 0.00 175.17 176.99 1ibq n ASP 224 N 0.11 -0.17 0.20 0.27 8.00 -1.26 0.11 116.55 123.81 1ibq n ASP 224 Ca 0.04 1.69 0.05 0.00 0.71 0.00 0.00 54.79 57.29 1ibq n ASP 224 Cb 0.49 -0.59 0.51 0.00 -0.02 0.00 0.00 41.12 41.51 1ibq n ASP 224 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ibq h GLU 225 N 0.00 0.08 0.10 -1.24 4.57 -2.00 -0.34 114.58 115.75 1ibq h GLU 225 Ca 0.58 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 58.46 1ibq h GLU 225 Cb 1.13 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1ibq h GLU 225 CO -0.95 0.18 -1.38 0.82 -1.18 0.00 0.00 179.01 176.50 1ibq h ILE 226 N 0.08 1.32 -0.03 2.32 2.04 0.46 -3.10 117.51 120.60 1ibq h ILE 226 Ca 0.02 -2.96 -0.16 0.00 1.00 0.00 0.00 64.86 62.75 1ibq h ILE 226 Cb 0.22 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1ibq h ILE 226 CO 0.01 0.84 -0.71 0.58 0.00 0.00 0.00 178.15 178.87 1ibq h VAL 227 N 0.06 1.45 -0.38 1.67 2.07 -0.81 -2.90 116.25 117.40 1ibq h VAL 227 Ca -0.18 -2.28 -0.13 0.00 0.82 0.00 0.00 66.70 64.94 1ibq h VAL 227 Cb 1.97 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.94 1ibq h VAL 227 CO 0.16 0.66 -0.26 0.28 0.02 0.00 0.00 177.57 178.43 1ibq h SER 228 N 0.11 0.89 0.25 0.57 0.02 -1.18 -2.31 113.55 111.91 1ibq h SER 228 Ca -0.02 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 1ibq h SER 228 Cb 1.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ibq h SER 228 CO 0.10 1.14 -0.13 0.00 -1.14 0.00 0.00 176.83 176.80 1ibq h ALA 229 N 0.79 1.47 0.04 3.77 0.00 -1.51 -1.43 119.26 122.39 1ibq h ALA 229 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ibq h ALA 229 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ibq h ALA 229 CO 0.07 0.17 -0.02 -0.92 0.00 0.00 0.00 179.25 178.55 1ibq h TYR 230 N 0.00 -0.05 0.00 0.00 3.20 -1.28 -3.32 116.97 115.52 1ibq h TYR 230 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ibq h TYR 230 Cb 0.29 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1ibq h TYR 230 CO 0.00 0.44 0.00 0.66 -1.64 0.00 0.00 178.16 177.62 1ibq n TYR 231 N -4.75 0.78 0.52 -3.82 4.01 -0.89 -1.46 117.16 111.55 1ibq n TYR 231 Ca -0.06 0.31 0.06 0.00 -0.16 0.00 0.00 57.90 58.05 1ibq n TYR 231 Cb 0.25 -1.00 0.29 0.00 -0.31 0.00 0.00 39.34 38.57 1ibq n TYR 231 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1ibq n GLU 232 N -2.22 0.12 -0.01 -0.72 4.07 -0.55 -1.58 120.64 119.76 1ibq n GLU 232 Ca 0.02 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1ibq n GLU 232 Cb 0.22 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.11 1ibq n GLU 232 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1ibq n GLN 233 N -1.35 1.81 -3.57 5.31 1.13 -0.53 -4.93 117.38 115.25 1ibq n GLN 233 Ca 0.05 -1.24 -0.41 0.00 -1.94 0.00 0.00 57.00 53.45 1ibq n GLN 233 Cb 0.11 -1.02 -0.11 0.00 0.11 0.00 0.00 30.24 29.33 1ibq n GLN 233 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ibq s VAL 234 N -0.72 4.73 0.18 5.09 1.01 -0.61 -4.80 120.40 125.28 1ibq s VAL 234 Ca 0.02 -0.83 -0.33 0.00 0.00 0.00 0.00 61.98 60.83 1ibq s VAL 234 Cb 0.01 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.61 1ibq s VAL 234 CO 0.01 -0.26 1.54 -1.20 0.00 0.00 0.00 175.10 175.19 1ibq n SER 235 N 5.03 3.02 -0.04 3.32 7.64 -1.26 -1.77 113.62 129.56 1ibq n SER 235 Ca -0.12 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.86 1ibq n SER 235 Cb 0.46 -1.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1ibq n SER 235 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ibq n GLY 236 N 3.11 0.29 3.76 0.23 0.00 -1.26 -4.68 105.19 106.64 1ibq n GLY 236 Ca 0.16 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1ibq n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibq s ALA 237 N -1.53 2.75 -0.15 4.61 0.00 -0.73 -4.63 121.76 122.08 1ibq s ALA 237 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1ibq s ALA 237 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1ibq s ALA 237 CO 0.00 -0.97 0.38 -1.14 0.00 0.00 0.00 175.76 174.03 1ibq s GLN 238 N -3.05 0.40 -1.19 0.00 0.74 0.16 -4.98 119.66 111.75 1ibq s GLN 238 Ca 0.71 0.63 -0.21 0.00 0.05 0.00 0.00 55.36 56.55 1ibq s GLN 238 Cb -0.30 0.09 0.02 0.00 1.10 0.00 0.00 33.01 33.92 1ibq s GLN 238 CO 0.35 -0.10 1.76 -2.00 -0.55 0.00 0.00 175.29 174.74 1ibq s GLU 239 N 0.76 3.43 -0.48 1.67 2.12 -1.26 -1.98 118.70 122.96 1ibq s GLU 239 Ca -0.05 -1.51 -0.28 0.00 0.36 0.00 0.00 54.97 53.49 1ibq s GLU 239 Cb -0.06 -5.40 0.01 0.00 0.26 0.00 0.00 34.13 28.94 1ibq s GLU 239 CO -0.05 -2.78 1.48 0.45 -0.54 0.00 0.00 175.26 173.81 1ibq s SER 240 N 5.23 6.14 0.00 -1.70 0.15 -0.04 -4.86 113.70 118.62 1ibq s SER 240 Ca 0.58 0.62 0.17 0.00 0.70 0.00 0.00 55.95 58.01 1ibq s SER 240 Cb 0.01 -2.54 0.99 0.00 -1.71 0.00 0.00 66.02 62.77 1ibq s SER 240 CO 0.06 -1.63 1.47 0.00 1.20 0.00 0.00 173.24 174.34 1ibq n TYR 241 N 9.51 0.00 -0.10 3.44 9.36 -1.26 -2.34 117.16 135.76 1ibq n TYR 241 Ca 0.16 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.24 1ibq n TYR 241 Cb 0.49 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.06 1ibq n TYR 241 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ibq n GLU 242 N -0.85 0.67 -0.30 2.98 4.07 -1.26 -4.32 120.64 121.64 1ibq n GLU 242 Ca 0.12 0.09 0.10 0.00 -0.06 0.00 0.00 57.16 57.42 1ibq n GLU 242 Cb 0.06 -1.55 0.27 0.00 -0.06 0.00 0.00 31.44 30.16 1ibq n GLU 242 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ibq n ALA 243 N -2.97 2.41 -3.62 4.31 0.00 -1.03 -4.96 120.51 114.64 1ibq n ALA 243 Ca -0.38 -1.04 -0.22 0.00 0.00 0.00 0.00 53.44 51.80 1ibq n ALA 243 Cb 1.07 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 19.63 1ibq n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibq n GLY 244 N 1.46 -0.41 0.00 0.00 0.00 -1.02 -4.88 105.19 100.33 1ibq n GLY 244 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ibq n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibq n GLY 245 N -1.56 -0.92 3.79 -0.02 0.00 -0.99 -5.06 105.19 100.43 1ibq n GLY 245 Ca -0.16 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 1ibq n GLY 245 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ibq s TYR 246 N -2.95 3.68 0.18 1.61 2.02 -1.26 -0.86 117.35 119.77 1ibq s TYR 246 Ca 0.00 1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1ibq s TYR 246 Cb 0.00 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 1ibq s TYR 246 CO 0.00 0.48 0.10 0.14 -1.57 0.00 0.00 175.55 174.70 1ibq s VAL 247 N -0.55 0.12 0.33 0.71 -7.23 -0.84 -1.84 120.40 111.11 1ibq s VAL 247 Ca 0.26 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.28 1ibq s VAL 247 Cb -0.17 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.48 1ibq s VAL 247 CO 0.14 -0.16 0.86 0.72 -0.31 0.00 0.00 175.10 176.34 1ibq s PHE 248 N -4.06 0.10 0.08 2.82 -0.12 -0.11 -0.66 117.98 116.03 1ibq s PHE 248 Ca 0.34 -0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 56.21 1ibq s PHE 248 Cb 0.07 0.80 -0.06 0.00 -0.63 0.00 0.00 43.02 43.20 1ibq s PHE 248 CO 0.09 -1.39 1.18 0.45 -0.05 0.00 0.00 175.22 175.50 1ibq s SER 249 N -3.16 7.10 0.53 1.98 0.15 -1.26 0.19 113.70 119.23 1ibq s SER 249 Ca 0.17 2.04 0.21 0.00 0.70 0.00 0.00 55.95 59.07 1ibq s SER 249 Cb -0.04 -2.58 1.35 0.00 -1.71 0.00 0.00 66.02 63.03 1ibq s SER 249 CO 0.10 -0.43 2.08 0.00 1.20 0.00 0.00 173.24 176.18 1ibq h SER 251 N 0.00 0.00 -3.12 0.00 4.64 -1.91 -3.43 113.55 109.72 1ibq h SER 251 Ca 0.12 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.90 1ibq h SER 251 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1ibq h SER 251 CO -0.00 0.00 0.64 -0.89 -0.87 0.00 0.00 176.83 175.70 1ibq s THR 252 N -3.63 4.01 -0.82 2.95 2.01 0.47 -4.99 115.64 115.64 1ibq s THR 252 Ca 0.00 1.41 -0.09 0.00 0.31 0.00 0.00 61.69 63.32 1ibq s THR 252 Cb 0.09 -3.91 0.21 0.00 0.01 0.00 0.00 72.50 68.91 1ibq s THR 252 CO 0.40 0.07 0.73 -1.81 -0.69 0.00 0.00 174.62 173.32 1ibq s ASP 253 N 1.26 6.36 1.09 3.53 1.01 -1.26 -4.98 116.67 123.69 1ibq s ASP 253 Ca 0.59 -2.97 -0.13 0.00 0.71 0.00 0.00 52.55 50.75 1ibq s ASP 253 Cb -0.29 -2.09 0.21 0.00 1.01 0.00 0.00 42.92 41.77 1ibq s ASP 253 CO 0.27 -0.44 0.87 0.00 0.21 0.00 0.00 175.17 176.09 1ibq n LEU 254 N 3.49 -0.30 -4.91 1.23 -0.00 -1.26 -5.00 117.00 110.25 1ibq n LEU 254 Ca 0.14 0.02 -0.27 0.00 -0.00 0.00 0.00 56.01 55.90 1ibq n LEU 254 Cb 0.43 -1.27 0.02 0.00 -0.00 0.00 0.00 43.42 42.60 1ibq n LEU 254 CO 0.35 -3.02 0.53 -2.16 -0.00 0.00 0.00 177.39 173.09 1ibq s PRO 255 N -4.28 3.11 0.87 1.47 0.04 -1.26 -4.38 135.00 130.57 1ibq s PRO 255 Ca 0.66 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1ibq s PRO 255 Cb -0.23 -2.28 0.12 0.00 0.04 0.00 0.00 34.50 32.15 1ibq s PRO 255 CO 0.64 -0.58 1.11 -0.51 0.04 0.00 0.00 177.00 177.70 1ibq s ASP 256 N -4.25 3.46 -0.14 6.66 1.01 -1.26 -4.18 116.67 117.97 1ibq s ASP 256 Ca 0.52 1.92 0.02 0.00 0.71 0.00 0.00 52.55 55.73 1ibq s ASP 256 Cb -0.11 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.35 1ibq s ASP 256 CO 0.46 -2.71 -0.22 0.12 0.21 0.00 0.00 175.17 173.03 1ibq s PHE 257 N -2.77 2.64 -0.12 4.23 5.36 0.66 -0.75 117.98 127.23 1ibq s PHE 257 Ca 0.64 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 1ibq s PHE 257 Cb -0.20 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1ibq s PHE 257 CO 0.58 -0.62 -0.15 0.99 -1.46 0.00 0.00 175.22 174.55 1ibq s THR 258 N 0.85 2.88 -0.32 0.12 2.01 -0.15 -0.09 115.64 120.94 1ibq s THR 258 Ca -0.06 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1ibq s THR 258 Cb -0.15 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1ibq s THR 258 CO -0.03 0.54 0.17 -0.69 -0.69 0.00 0.00 174.62 173.92 1ibq s VAL 259 N 0.26 4.78 -0.34 3.82 1.01 -0.72 0.26 120.40 129.48 1ibq s VAL 259 Ca -0.11 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 1ibq s VAL 259 Cb -0.16 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1ibq s VAL 259 CO 0.06 0.06 0.80 -0.69 0.00 0.00 0.00 175.10 175.33 1ibq s VAL 260 N 1.64 4.74 -0.70 2.92 1.01 0.16 -1.56 120.40 128.62 1ibq s VAL 260 Ca 0.05 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 63.01 1ibq s VAL 260 Cb -0.17 -4.20 0.18 0.00 0.00 0.00 0.00 36.38 32.19 1ibq s VAL 260 CO 0.07 -0.38 0.55 -0.63 0.00 0.00 0.00 175.10 174.72 1ibq s ILE 261 N 3.09 4.15 0.00 2.22 1.01 0.69 -0.86 121.20 131.51 1ibq s ILE 261 Ca 0.32 -3.01 0.00 0.00 0.00 0.00 0.00 60.65 57.97 1ibq s ILE 261 Cb -0.13 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1ibq s ILE 261 CO 0.15 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.77 1ibq n GLY 262 N 3.40 1.19 0.08 6.18 0.00 -1.26 -1.24 105.19 113.53 1ibq n GLY 262 Ca 0.11 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 1ibq n GLY 262 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ibq n ASP 263 N 9.29 0.20 -4.75 1.61 8.00 -1.26 -4.97 116.55 124.67 1ibq n ASP 263 Ca 0.00 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 1ibq n ASP 263 Cb 0.00 1.02 -0.04 0.00 -0.02 0.00 0.00 41.12 42.08 1ibq n ASP 263 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ibq s TYR 264 N -2.80 3.45 -0.40 1.24 5.04 -0.38 -5.02 117.35 118.49 1ibq s TYR 264 Ca -0.08 1.53 -0.06 0.00 -2.44 0.00 0.00 57.07 56.02 1ibq s TYR 264 Cb 0.08 -3.40 0.09 0.00 0.35 0.00 0.00 41.96 39.08 1ibq s TYR 264 CO 0.84 -1.02 0.20 0.15 -1.34 0.00 0.00 175.55 174.38 1ibq s LYS 265 N -0.84 2.34 -0.61 4.97 1.02 -1.26 -0.22 119.74 125.15 1ibq s LYS 265 Ca 0.49 -1.58 -0.28 0.00 0.02 0.00 0.00 55.97 54.63 1ibq s LYS 265 Cb -0.33 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1ibq s LYS 265 CO 0.40 -0.95 1.20 0.00 -0.92 0.00 0.00 175.35 175.07 1ibq s ALA 266 N 1.29 2.96 -0.22 5.17 0.00 -0.60 -4.95 121.76 125.40 1ibq s ALA 266 Ca 0.04 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 1ibq s ALA 266 Cb -0.23 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 1ibq s ALA 266 CO -0.01 -2.77 0.21 0.08 0.00 0.00 0.00 175.76 173.27 1ibq s VAL 267 N 5.06 5.33 -0.28 0.00 1.01 -1.26 -1.75 120.40 128.51 1ibq s VAL 267 Ca 0.41 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1ibq s VAL 267 Cb -0.08 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1ibq s VAL 267 CO 0.23 0.35 0.17 -0.69 0.00 0.00 0.00 175.10 175.16 1ibq s VAL 268 N 0.93 5.16 0.42 2.92 1.01 0.87 -4.85 120.40 126.84 1ibq s VAL 268 Ca 0.11 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 1ibq s VAL 268 Cb -0.13 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1ibq s VAL 268 CO 0.04 0.25 1.17 -2.84 0.00 0.00 0.00 175.10 173.72 1ibq s PRO 269 N 1.74 3.97 0.29 2.72 0.02 -1.26 -0.25 135.00 142.23 1ibq s PRO 269 Ca 0.07 1.81 0.03 0.00 0.02 0.00 0.00 61.00 62.93 1ibq s PRO 269 Cb -0.16 -2.59 0.66 0.00 0.02 0.00 0.00 34.50 32.42 1ibq s PRO 269 CO 0.10 -0.38 1.77 0.78 -0.33 0.00 0.00 177.00 178.93 1ibq h GLY 270 N 2.46 1.63 -0.39 0.52 0.00 -1.77 -1.18 103.07 104.35 1ibq h GLY 270 Ca -0.49 -0.31 0.19 0.00 0.00 0.00 0.00 47.33 46.72 1ibq h GLY 270 CO 0.62 -0.06 0.09 0.50 0.00 0.00 0.00 176.54 177.69 1ibq h LYS 271 N 0.70 0.14 0.00 4.80 1.57 -1.90 -0.21 116.57 121.67 1ibq h LYS 271 Ca 0.53 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.24 1ibq h LYS 271 Cb 0.80 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1ibq h LYS 271 CO -0.38 0.09 -0.33 1.88 -0.57 0.00 0.00 179.45 180.15 1ibq h TYR 272 N 0.15 0.00 0.00 -1.35 0.99 -1.58 -2.42 116.97 112.76 1ibq h TYR 272 Ca 0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.19 1ibq h TYR 272 Cb 0.86 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.59 1ibq h TYR 272 CO -0.36 0.33 0.00 0.82 -0.00 0.00 0.00 178.16 178.94 1ibq h ILE 273 N 0.00 0.00 -1.89 -2.88 1.08 -1.04 -3.34 117.51 109.44 1ibq h ILE 273 Ca -0.00 -0.30 -0.67 0.00 -0.39 0.00 0.00 64.86 63.50 1ibq h ILE 273 Cb 0.79 1.10 -0.15 0.00 -3.07 0.00 0.00 36.82 35.49 1ibq h ILE 273 CO 0.04 0.00 1.18 0.21 -0.69 0.00 0.00 178.15 178.89 1ibq s ASN 274 N -4.61 6.64 0.00 1.72 3.84 -0.91 0.19 114.94 121.81 1ibq s ASN 274 Ca 0.03 -1.98 0.00 0.00 0.21 0.00 0.00 52.86 51.13 1ibq s ASN 274 Cb 0.09 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1ibq s ASN 274 CO 0.43 -1.18 0.63 0.00 -2.79 0.00 0.00 177.10 174.20 1ibq n TYR 275 N 7.30 0.00 -3.70 0.43 9.36 -0.68 -4.92 117.16 124.95 1ibq n TYR 275 Ca 0.30 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.42 1ibq n TYR 275 Cb 0.49 -0.38 -0.03 0.00 -0.63 0.00 0.00 39.34 38.79 1ibq n TYR 275 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ibq s ALA 276 N -2.89 -1.05 0.31 2.98 0.00 -1.20 -4.99 121.76 114.92 1ibq s ALA 276 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 1ibq s ALA 276 Cb 0.00 0.85 -0.10 0.00 0.00 0.00 0.00 23.12 23.87 1ibq s ALA 276 CO 0.00 -0.81 1.36 -2.14 0.00 0.00 0.00 175.76 174.17 1ibq s PRO 277 N -3.86 4.31 0.56 0.00 0.02 -1.26 0.18 135.00 134.95 1ibq s PRO 277 Ca 0.08 2.27 0.38 0.00 0.02 0.00 0.00 61.00 63.74 1ibq s PRO 277 Cb -0.01 -3.07 1.97 0.00 0.02 0.00 0.00 34.50 33.40 1ibq s PRO 277 CO -0.04 -0.29 2.15 -0.24 -0.33 0.00 0.00 177.00 178.25 1ibq h VAL 278 N 3.19 0.00 -3.44 3.83 3.04 -1.33 -3.44 116.25 118.10 1ibq h VAL 278 Ca -0.48 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.10 1ibq h VAL 278 Cb 1.22 0.96 -0.09 0.00 -2.01 0.00 0.00 31.29 31.38 1ibq h VAL 278 CO 0.69 0.00 -0.02 -0.94 -1.01 0.00 0.00 177.57 176.29 1ibq s SER 279 N -4.95 -0.17 -0.85 3.17 1.04 -1.26 -5.03 113.70 105.64 1ibq s SER 279 Ca -0.03 -0.72 -0.27 0.00 0.48 0.00 0.00 55.95 55.40 1ibq s SER 279 Cb 0.11 0.60 -0.19 0.00 0.10 0.00 0.00 66.02 66.64 1ibq s SER 279 CO 0.38 -1.13 2.56 0.41 0.98 0.00 0.00 173.24 176.44 1ibq n THR 280 N -0.37 -0.02 -2.65 2.02 -1.04 -1.26 -0.55 114.28 110.41 1ibq n THR 280 Ca -0.05 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.05 61.57 1ibq n THR 280 Cb 0.62 -1.14 0.02 0.00 -1.82 0.00 0.00 70.33 68.00 1ibq n THR 280 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibq n GLY 281 N 6.28 0.20 3.90 3.41 0.00 -1.26 -5.04 105.19 112.69 1ibq n GLY 281 Ca 0.58 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ibq n GLY 281 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibq s SER 282 N -2.92 5.33 0.00 1.61 0.15 0.29 -4.99 113.70 113.16 1ibq s SER 282 Ca 0.15 0.90 0.18 0.00 0.70 0.00 0.00 55.95 57.89 1ibq s SER 282 Cb -0.07 -1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 1ibq s SER 282 CO 0.18 -1.34 0.90 -1.54 1.20 0.00 0.00 173.24 172.65 1ibq n SER 283 N -2.90 1.55 -4.67 5.45 3.41 -1.26 -4.83 113.62 110.37 1ibq n SER 283 Ca 0.06 -1.28 -0.36 0.00 -0.26 0.00 0.00 58.87 57.04 1ibq n SER 283 Cb 0.58 0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 65.05 1ibq n SER 283 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ibq s THR 284 N -2.28 5.26 0.10 6.66 -4.23 -1.26 -2.02 115.64 117.87 1ibq s THR 284 Ca 0.13 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1ibq s THR 284 Cb 0.15 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1ibq s THR 284 CO 0.54 0.39 -0.06 0.00 -0.54 0.00 0.00 174.62 174.95 1ibq s TYR 286 N -1.27 3.67 0.46 0.00 5.04 0.13 -0.94 117.35 124.44 1ibq s TYR 286 Ca 0.23 1.34 -0.22 0.00 -2.44 0.00 0.00 57.07 55.98 1ibq s TYR 286 Cb -0.11 -2.78 -0.08 0.00 0.35 0.00 0.00 41.96 39.34 1ibq s TYR 286 CO 0.16 0.22 1.09 0.20 -1.34 0.00 0.00 175.55 175.87 1ibq s GLY 287 N 0.24 2.68 0.30 8.97 0.00 -0.76 -1.68 107.32 117.06 1ibq s GLY 287 Ca 0.37 0.75 0.15 0.00 0.00 0.00 0.00 44.72 45.99 1ibq s GLY 287 CO 0.20 1.15 1.59 -1.33 0.00 0.00 0.00 173.10 174.71 1ibq h GLY 288 N 1.98 0.00 -7.17 0.20 0.00 0.17 -3.43 103.07 94.82 1ibq h GLY 288 Ca -0.49 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.22 1ibq h GLY 288 CO 0.60 0.00 -0.42 -0.42 0.00 0.00 0.00 176.54 176.30 1ibq s ILE 289 N -3.34 5.30 0.01 2.60 1.01 -1.26 -2.17 121.20 123.35 1ibq s ILE 289 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1ibq s ILE 289 Cb 0.10 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 1ibq s ILE 289 CO 0.73 0.29 0.01 0.00 0.00 0.00 0.00 174.94 175.96 1ibq n GLN 290 N 4.62 0.84 -2.93 2.79 1.13 -0.49 -4.84 117.38 118.51 1ibq n GLN 290 Ca -0.13 -0.12 -0.24 0.00 -1.94 0.00 0.00 57.00 54.57 1ibq n GLN 290 Cb 0.52 0.07 0.01 0.00 0.11 0.00 0.00 30.24 30.94 1ibq n GLN 290 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ibq s SER 291 N -1.09 5.96 0.00 1.08 0.15 -1.26 -2.26 113.70 116.28 1ibq s SER 291 Ca 0.01 0.48 0.05 0.00 0.70 0.00 0.00 55.95 57.19 1ibq s SER 291 Cb 0.00 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.59 1ibq s SER 291 CO 0.01 -0.65 0.74 -0.46 1.20 0.00 0.00 173.24 174.08 1ibq n ASN 292 N -2.12 1.59 -0.23 5.45 6.94 -1.00 -4.67 115.26 121.22 1ibq n ASN 292 Ca 0.00 -1.36 0.16 0.00 -0.02 0.00 0.00 54.58 53.36 1ibq n ASN 292 Cb 0.57 -0.02 0.29 0.00 -2.36 0.00 0.00 39.78 38.26 1ibq n ASN 292 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1ibq n SER 293 N 0.20 0.06 0.19 0.53 7.64 -1.26 0.14 113.62 121.12 1ibq n SER 293 Ca 0.03 1.16 0.12 0.00 1.01 0.00 0.00 58.87 61.19 1ibq n SER 293 Cb 0.16 -0.49 0.64 0.00 -1.01 0.00 0.00 64.21 63.51 1ibq n SER 293 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ibq h GLY 294 N 0.00 0.00 0.00 0.23 0.00 -1.99 -3.25 103.07 98.06 1ibq h GLY 294 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1ibq h GLY 294 CO -0.60 0.00 0.00 1.47 0.00 0.00 0.00 176.54 177.41 1ibq n LEU 295 N -2.34 0.00 0.00 3.11 -0.00 0.38 -5.02 117.00 113.13 1ibq n LEU 295 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1ibq n LEU 295 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1ibq n LEU 295 CO 0.10 0.08 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 1ibq n GLY 296 N 0.00 0.00 3.59 1.47 0.00 0.26 -4.86 105.19 105.66 1ibq n GLY 296 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ibq n GLY 296 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ibq s LEU 297 N 0.00 4.09 0.04 0.99 2.96 -1.26 -5.00 118.68 120.51 1ibq s LEU 297 Ca 0.00 0.46 -0.31 0.00 -0.22 0.00 0.00 54.13 54.07 1ibq s LEU 297 Cb 0.00 -3.09 -0.07 0.00 0.50 0.00 0.00 46.19 43.54 1ibq s LEU 297 CO 0.00 -0.74 1.44 -0.44 -1.32 0.00 0.00 176.35 175.29 1ibq s SER 298 N 1.81 6.80 0.05 3.68 0.01 -1.26 -4.91 113.70 119.87 1ibq s SER 298 Ca 0.33 2.24 0.08 0.00 1.31 0.00 0.00 55.95 59.91 1ibq s SER 298 Cb -0.13 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1ibq s SER 298 CO 0.16 -0.73 -0.22 -0.63 0.41 0.00 0.00 173.24 172.23 1ibq s ILE 299 N 2.09 1.78 -0.41 1.44 1.01 0.32 -2.69 121.20 124.73 1ibq s ILE 299 Ca 0.66 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1ibq s ILE 299 Cb -0.34 -1.55 0.12 0.00 0.01 0.00 0.00 42.46 40.70 1ibq s ILE 299 CO 0.28 0.21 0.18 -0.76 0.00 0.00 0.00 174.94 174.85 1ibq s LEU 300 N -1.28 3.45 -0.05 2.97 1.02 -0.82 -1.43 118.68 122.54 1ibq s LEU 300 Ca 0.08 -2.44 -0.00 0.00 0.02 0.00 0.00 54.13 51.79 1ibq s LEU 300 Cb -0.09 -1.28 0.03 0.00 0.02 0.00 0.00 46.19 44.87 1ibq s LEU 300 CO 0.02 -0.31 -0.01 -0.83 0.02 0.00 0.00 176.35 175.25 1ibq s GLY 301 N 0.55 0.40 0.00 -3.19 0.00 -1.06 -3.09 107.32 100.93 1ibq s GLY 301 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1ibq s GLY 301 CO -0.06 0.89 0.00 1.22 0.00 0.00 0.00 173.10 175.14 1ibq n ASP 302 N 4.70 0.00 -0.31 1.64 9.92 -1.14 -2.96 116.55 128.39 1ibq n ASP 302 Ca -0.15 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.23 1ibq n ASP 302 Cb 0.50 0.00 0.34 0.00 -0.64 0.00 0.00 41.12 41.32 1ibq n ASP 302 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1ibq h VAL 303 N 0.00 0.80 0.12 2.53 2.07 -1.38 0.25 116.25 120.65 1ibq h VAL 303 Ca 0.00 -0.26 -0.21 0.00 0.82 0.00 0.00 66.70 67.05 1ibq h VAL 303 Cb 0.00 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1ibq h VAL 303 CO 0.00 0.14 -0.98 0.15 0.02 0.00 0.00 177.57 176.90 1ibq h PHE 304 N 0.76 0.47 0.00 1.57 3.57 -1.84 -3.35 116.94 118.12 1ibq h PHE 304 Ca 0.50 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ibq h PHE 304 Cb 0.76 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1ibq h PHE 304 CO -0.00 1.38 -0.07 -0.07 -2.23 0.00 0.00 178.31 177.31 1ibq h LEU 305 N -0.40 0.00 0.00 0.59 3.38 -1.71 -2.60 115.31 114.57 1ibq h LEU 305 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ibq h LEU 305 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1ibq h LEU 305 CO 0.11 0.07 0.00 0.29 0.09 0.00 0.00 178.44 179.00 1ibq n LYS 306 N -3.35 0.26 0.00 1.13 5.02 0.84 -1.62 118.16 120.44 1ibq n LYS 306 Ca -0.01 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1ibq n LYS 306 Cb 0.24 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1ibq n LYS 306 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ibq n SER 307 N -1.26 1.47 -4.30 4.39 3.41 -0.98 -4.62 113.62 111.74 1ibq n SER 307 Ca 0.08 -1.24 -0.16 0.00 -0.26 0.00 0.00 58.87 57.29 1ibq n SER 307 Cb 0.12 0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1ibq n SER 307 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ibq s GLN 308 N -1.70 1.20 -0.27 4.33 -1.52 -0.64 -2.94 119.66 118.11 1ibq s GLN 308 Ca 0.11 -1.52 -0.15 0.00 -1.95 0.00 0.00 55.36 51.85 1ibq s GLN 308 Cb 0.11 -0.89 -0.03 0.00 -0.22 0.00 0.00 33.01 31.98 1ibq s GLN 308 CO 0.35 0.14 0.38 -0.47 -0.25 0.00 0.00 175.29 175.44 1ibq s TYR 309 N -3.12 3.24 -0.11 0.91 5.04 0.80 -4.49 117.35 119.63 1ibq s TYR 309 Ca 0.20 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.25 1ibq s TYR 309 Cb 0.01 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.73 1ibq s TYR 309 CO 0.04 -0.25 -0.21 0.08 -1.34 0.00 0.00 175.55 173.86 1ibq s VAL 310 N 2.09 1.92 -0.24 3.14 1.01 -0.71 -2.52 120.40 125.09 1ibq s VAL 310 Ca 0.15 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1ibq s VAL 310 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ibq s VAL 310 CO 0.10 0.53 0.05 -0.69 0.00 0.00 0.00 175.10 175.08 1ibq s VAL 311 N 0.57 4.14 -0.52 2.92 1.01 -0.04 -0.30 120.40 128.18 1ibq s VAL 311 Ca -0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1ibq s VAL 311 Cb -0.17 -2.92 0.11 0.00 0.00 0.00 0.00 36.38 33.40 1ibq s VAL 311 CO 0.04 0.36 0.47 -0.36 0.00 0.00 0.00 175.10 175.61 1ibq s PHE 312 N 1.52 3.25 -0.32 5.22 0.40 0.51 -0.64 117.98 127.92 1ibq s PHE 312 Ca 0.06 -1.20 -0.08 0.00 -0.60 0.00 0.00 56.93 55.11 1ibq s PHE 312 Cb -0.15 -3.61 0.02 0.00 0.51 0.00 0.00 43.02 39.79 1ibq s PHE 312 CO 0.02 -0.96 0.11 1.21 0.70 0.00 0.00 175.22 176.31 1ibq s ASN 313 N 3.29 5.31 0.06 1.36 3.84 -0.42 -1.97 114.94 126.41 1ibq s ASN 313 Ca 0.03 -0.81 0.08 0.00 0.21 0.00 0.00 52.86 52.38 1ibq s ASN 313 Cb -0.28 -1.92 0.40 0.00 -0.55 0.00 0.00 41.25 38.90 1ibq s ASN 313 CO 0.04 -0.25 1.26 -1.54 -2.79 0.00 0.00 177.10 173.82 1ibq n SER 314 N 4.89 0.13 -4.43 -4.21 3.41 -1.07 -0.12 113.62 112.22 1ibq n SER 314 Ca -0.14 0.55 -0.44 0.00 -0.26 0.00 0.00 58.87 58.59 1ibq n SER 314 Cb 0.47 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 1ibq n SER 314 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ibq s GLU 315 N -3.10 3.11 0.00 4.33 2.02 -1.26 -4.29 118.70 119.51 1ibq s GLU 315 Ca 0.02 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1ibq s GLU 315 Cb 0.04 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.11 1ibq s GLU 315 CO 0.12 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.43 1ibq n GLY 316 N 5.21 2.30 3.88 -1.39 0.00 -1.26 -3.78 105.19 110.16 1ibq n GLY 316 Ca -0.07 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1ibq n GLY 316 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ibq s PRO 317 N 0.00 2.32 0.15 1.61 0.04 -1.26 -4.94 135.00 132.92 1ibq s PRO 317 Ca 0.00 0.30 -0.12 0.00 0.04 0.00 0.00 61.00 61.22 1ibq s PRO 317 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1ibq s PRO 317 CO 0.00 -1.38 0.34 -1.59 0.04 0.00 0.00 177.00 174.41 1ibq s LYS 318 N -5.45 1.15 -0.11 4.56 -2.85 0.83 -2.31 119.74 115.56 1ibq s LYS 318 Ca 0.60 -1.00 0.03 0.00 -1.00 0.00 0.00 55.97 54.60 1ibq s LYS 318 Cb -0.11 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1ibq s LYS 318 CO 0.51 -0.44 -0.20 -0.51 0.10 0.00 0.00 175.35 174.81 1ibq s LEU 319 N -2.90 2.29 -0.01 2.77 1.43 -0.26 -1.30 118.68 120.70 1ibq s LEU 319 Ca 0.11 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1ibq s LEU 319 Cb 0.02 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1ibq s LEU 319 CO -0.04 0.16 -0.05 -0.83 0.23 0.00 0.00 176.35 175.81 1ibq s GLY 320 N 0.37 1.77 -0.02 -3.19 0.00 0.19 -1.20 107.32 105.24 1ibq s GLY 320 Ca -0.16 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.61 1ibq s GLY 320 CO 0.07 -0.83 -0.10 -1.36 0.00 0.00 0.00 173.10 170.88 1ibq s PHE 321 N -0.98 1.03 -0.04 1.90 0.40 0.71 -0.86 117.98 120.14 1ibq s PHE 321 Ca 0.17 -0.24 -0.25 0.00 -0.60 0.00 0.00 56.93 56.01 1ibq s PHE 321 Cb -0.11 -0.70 0.05 0.00 0.51 0.00 0.00 43.02 42.77 1ibq s PHE 321 CO 0.07 -0.07 0.55 0.00 0.70 0.00 0.00 175.22 176.47 1ibq s ALA 322 N 0.00 -1.43 0.40 5.36 0.00 -1.05 -0.51 121.76 124.54 1ibq s ALA 322 Ca -0.00 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 1ibq s ALA 322 Cb -0.07 0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 1ibq s ALA 322 CO 0.00 -0.33 1.24 0.00 0.00 0.00 0.00 175.76 176.67 1ibq s ALA 323 N -1.25 3.20 0.55 0.00 0.00 -1.26 -0.14 121.76 122.87 1ibq s ALA 323 Ca -0.12 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1ibq s ALA 323 Cb -0.02 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1ibq s ALA 323 CO 0.08 -0.68 1.22 -0.65 0.00 0.00 0.00 175.76 175.72 1ibq s GLN 324 N -2.26 3.19 0.00 0.00 -0.21 -1.15 -1.37 119.66 117.86 1ibq s GLN 324 Ca 0.57 1.86 0.24 0.00 0.02 0.00 0.00 55.36 58.05 1ibq s GLN 324 Cb -0.35 -2.08 1.43 0.00 1.00 0.00 0.00 33.01 33.01 1ibq s GLN 324 CO 0.44 -1.04 1.79 0.00 -2.12 0.00 0.00 175.29 174.36