#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 1.14 -0.06 -1.46 -2.85 -1.26 -1.55 119.74 113.70 1ibq s LYS 2 Ca 0.00 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 1ibq s LYS 2 Cb 0.00 0.38 0.11 0.00 -2.06 0.00 0.00 37.83 36.26 1ibq s LYS 2 CO 0.00 -0.42 0.93 0.20 0.10 0.00 0.00 175.35 176.16 1ibq s GLY 3 N -2.96 -0.40 -0.01 0.59 0.00 -0.81 -4.53 107.32 99.20 1ibq s GLY 3 Ca 0.16 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.24 1ibq s GLY 3 CO -0.01 0.58 -0.03 -1.35 0.00 0.00 0.00 173.10 172.29 1ibq s SER 4 N -2.01 0.41 0.06 1.64 1.04 -1.21 -0.04 113.70 113.59 1ibq s SER 4 Ca 0.03 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.46 1ibq s SER 4 Cb -0.01 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1ibq s SER 4 CO -0.05 0.01 -0.16 0.00 0.98 0.00 0.00 173.24 174.02 1ibq s ALA 5 N 0.18 1.38 0.12 5.32 0.00 -0.91 -4.60 121.76 123.26 1ibq s ALA 5 Ca -0.02 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 1ibq s ALA 5 Cb -0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 1ibq s ALA 5 CO -0.00 0.27 0.60 0.08 0.00 0.00 0.00 175.76 176.70 1ibq s VAL 6 N -0.96 4.72 -0.12 0.00 1.01 -1.26 -1.73 120.40 122.05 1ibq s VAL 6 Ca 0.03 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1ibq s VAL 6 Cb -0.09 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1ibq s VAL 6 CO 0.02 0.42 -0.18 0.28 0.00 0.00 0.00 175.10 175.63 1ibq s THR 7 N -1.27 1.77 -0.13 3.92 -1.32 -1.17 -4.23 115.64 113.21 1ibq s THR 7 Ca 0.34 -0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 60.01 1ibq s THR 7 Cb -0.18 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.20 1ibq s THR 7 CO 0.20 0.49 -0.11 0.42 -2.21 0.00 0.00 174.62 173.41 1ibq s THR 8 N 0.92 3.24 0.47 5.08 -4.23 -0.73 0.76 115.64 121.15 1ibq s THR 8 Ca -0.07 -0.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.65 1ibq s THR 8 Cb -0.15 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 1ibq s THR 8 CO -0.02 0.52 0.99 -2.16 -0.54 0.00 0.00 174.62 173.42 1ibq s PRO 9 N 0.28 3.97 -0.16 3.99 0.04 -1.26 -1.93 135.00 139.93 1ibq s PRO 9 Ca -0.08 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1ibq s PRO 9 Cb -0.15 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1ibq s PRO 9 CO 0.05 -0.26 0.51 -0.65 0.04 0.00 0.00 177.00 176.68 1ibq s GLN 10 N -3.39 4.26 3.35 4.56 -1.52 -0.90 -4.77 119.66 121.25 1ibq s GLN 10 Ca 0.64 0.45 0.00 0.00 -1.95 0.00 0.00 55.36 54.49 1ibq s GLN 10 Cb -0.12 -3.50 0.00 0.00 -0.22 0.00 0.00 33.01 29.16 1ibq s GLN 10 CO 0.20 -0.01 0.00 0.09 -0.25 0.00 0.00 175.29 175.32 1ibq n ASN 11 N 4.27 0.00 -3.14 5.90 4.13 -1.26 -1.29 115.26 123.87 1ibq n ASN 11 Ca -0.06 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.81 1ibq n ASN 11 Cb 0.51 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.78 1ibq n ASN 11 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ibq n ASN 12 N 8.36 7.46 -3.66 6.41 3.02 -1.26 -4.84 115.26 130.75 1ibq n ASN 12 Ca 0.00 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.49 1ibq n ASN 12 Cb 0.00 -1.11 0.04 0.00 -0.61 0.00 0.00 39.78 38.10 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 -0.30 -5.43 -0.01 6.41 8.00 -0.41 -4.90 116.55 119.91 1ibq n ASP 13 Ca 0.52 -0.99 0.09 0.00 0.71 0.00 0.00 54.79 55.11 1ibq n ASP 13 Cb 0.25 -3.44 -0.13 0.00 -0.02 0.00 0.00 41.12 37.78 1ibq n ASP 13 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1ibq n GLU 14 N -4.09 0.71 -3.38 -1.24 0.28 -0.86 -4.90 120.64 107.16 1ibq n GLU 14 Ca -0.09 -0.13 0.02 0.00 -0.16 0.00 0.00 57.16 56.80 1ibq n GLU 14 Cb 0.59 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 1ibq n GLU 14 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1ibq s GLU 15 N -3.09 0.39 -0.21 3.44 -1.05 -1.26 -4.59 118.70 112.32 1ibq s GLU 15 Ca -0.04 0.88 -0.20 0.00 -0.15 0.00 0.00 54.97 55.47 1ibq s GLU 15 Cb 0.12 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.30 1ibq s GLU 15 CO 0.73 -0.23 0.59 0.71 0.95 0.00 0.00 175.26 178.01 1ibq s TYR 16 N 2.70 3.35 0.06 4.83 1.51 -1.26 -2.12 117.35 126.43 1ibq s TYR 16 Ca 0.01 0.84 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 1ibq s TYR 16 Cb -0.10 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 1ibq s TYR 16 CO -0.17 -0.18 0.18 -0.51 -1.11 0.00 0.00 175.55 173.75 1ibq s LEU 17 N 1.95 4.21 -0.02 -1.29 1.43 -0.81 -3.88 118.68 120.27 1ibq s LEU 17 Ca 0.26 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1ibq s LEU 17 Cb -0.16 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.26 1ibq s LEU 17 CO 0.10 0.17 0.00 -0.89 0.23 0.00 0.00 176.35 175.96 1ibq s THR 18 N -1.47 0.13 0.29 5.49 2.01 0.16 -1.77 115.64 120.48 1ibq s THR 18 Ca 0.33 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 1ibq s THR 18 Cb -0.13 -0.22 -0.10 0.00 0.01 0.00 0.00 72.50 72.06 1ibq s THR 18 CO 0.26 0.12 1.41 -2.16 -0.69 0.00 0.00 174.62 173.56 1ibq s PRO 19 N 0.91 4.27 -0.08 4.92 0.04 -1.26 -1.00 135.00 142.80 1ibq s PRO 19 Ca -0.09 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 1ibq s PRO 19 Cb -0.12 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.39 1ibq s PRO 19 CO -0.02 -0.37 0.18 0.08 0.04 0.00 0.00 177.00 176.91 1ibq s VAL 20 N -0.52 -0.09 -0.40 -0.36 1.01 0.85 -4.76 120.40 116.12 1ibq s VAL 20 Ca 0.55 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1ibq s VAL 20 Cb -0.42 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1ibq s VAL 20 CO 0.49 0.08 0.81 -0.89 0.00 0.00 0.00 175.10 175.60 1ibq s THR 21 N 1.41 4.67 -0.27 3.92 2.01 -0.33 -0.96 115.64 126.08 1ibq s THR 21 Ca -0.07 0.77 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 1ibq s THR 21 Cb -0.11 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1ibq s THR 21 CO -0.07 -0.57 0.01 -0.69 -0.69 0.00 0.00 174.62 172.62 1ibq s VAL 22 N 3.26 3.41 0.00 3.82 1.01 -0.75 -0.71 120.40 130.44 1ibq s VAL 22 Ca 0.32 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1ibq s VAL 22 Cb -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1ibq s VAL 22 CO 0.20 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1ibq n GLY 23 N 4.76 2.08 0.01 4.51 0.00 0.17 -2.87 105.19 113.85 1ibq n GLY 23 Ca -0.15 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 12.77 0.62 -3.31 1.61 0.00 -1.10 -4.83 118.16 123.92 1ibq n LYS 24 Ca 0.00 -0.14 -0.37 0.00 -0.00 0.00 0.00 58.31 57.80 1ibq n LYS 24 Cb 0.00 -1.45 -0.06 0.00 -0.00 0.00 0.00 35.03 33.52 1ibq n LYS 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ibq s SER 25 N -3.93 6.94 -0.19 -5.58 1.04 -1.14 -5.06 113.70 105.79 1ibq s SER 25 Ca -0.04 1.17 -0.16 0.00 0.48 0.00 0.00 55.95 57.41 1ibq s SER 25 Cb 0.13 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 1ibq s SER 25 CO 0.81 0.18 0.38 -0.89 0.98 0.00 0.00 173.24 174.70 1ibq s THR 26 N -1.31 5.22 0.36 2.02 2.01 -1.26 -1.81 115.64 120.87 1ibq s THR 26 Ca 0.34 0.69 0.09 0.00 0.31 0.00 0.00 61.69 63.12 1ibq s THR 26 Cb -0.17 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 1ibq s THR 26 CO 0.19 0.29 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.62 1ibq s LEU 27 N 1.08 2.85 -0.42 4.42 1.43 -0.13 -4.95 118.68 122.97 1ibq s LEU 27 Ca 0.19 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 1ibq s LEU 27 Cb -0.14 -1.10 0.11 0.00 0.03 0.00 0.00 46.19 45.09 1ibq s LEU 27 CO 0.07 -0.28 0.16 -1.00 0.23 0.00 0.00 176.35 175.54 1ibq s HIS 28 N -2.60 3.58 0.25 0.29 3.76 -1.26 -0.10 115.29 119.20 1ibq s HIS 28 Ca 0.34 -2.86 0.04 0.00 -0.15 0.00 0.00 55.06 52.43 1ibq s HIS 28 Cb 0.03 -3.01 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1ibq s HIS 28 CO 0.18 -0.91 0.39 -0.51 -0.85 0.00 0.00 174.74 173.04 1ibq s LEU 29 N 0.65 4.26 -0.37 0.89 1.43 -0.17 -1.88 118.68 123.49 1ibq s LEU 29 Ca 0.12 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.24 1ibq s LEU 29 Cb -0.21 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1ibq s LEU 29 CO -0.05 -0.09 0.32 -0.62 0.23 0.00 0.00 176.35 176.13 1ibq s ASP 30 N -3.86 6.13 -0.26 2.29 3.68 -0.67 0.38 116.67 124.36 1ibq s ASP 30 Ca 0.35 -0.55 -0.29 0.00 2.13 0.00 0.00 52.55 54.19 1ibq s ASP 30 Cb -0.09 -2.17 0.01 0.00 -1.45 0.00 0.00 42.92 39.21 1ibq s ASP 30 CO 0.30 -0.38 1.15 -0.36 0.13 0.00 0.00 175.17 176.02 1ibq s PHE 31 N 1.85 3.04 -0.29 -5.34 0.40 -1.25 -1.45 117.98 114.94 1ibq s PHE 31 Ca 0.08 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.60 1ibq s PHE 31 Cb -0.18 -3.59 0.07 0.00 0.51 0.00 0.00 43.02 39.84 1ibq s PHE 31 CO 0.11 -1.09 -0.06 0.34 0.70 0.00 0.00 175.22 175.22 1ibq s ASP 32 N 1.84 4.56 0.00 1.36 2.15 -0.38 -3.75 116.67 122.44 1ibq s ASP 32 Ca 0.49 -1.62 0.04 0.00 0.43 0.00 0.00 52.55 51.90 1ibq s ASP 32 Cb -0.16 -1.58 0.26 0.00 -0.30 0.00 0.00 42.92 41.14 1ibq s ASP 32 CO 0.14 -0.25 1.02 0.35 -0.17 0.00 0.00 175.17 176.27 1ibq n THR 33 N 4.39 0.00 0.74 1.71 -2.24 -1.26 -0.93 114.28 116.69 1ibq n THR 33 Ca -0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1ibq n THR 33 Cb 0.42 -0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.40 -0.72 3.35 3.38 0.00 -1.26 -3.94 105.19 106.40 1ibq n GLY 34 Ca 0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 1ibq n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibq s SER 35 N -2.88 1.64 -0.07 1.61 1.04 -1.18 -4.88 113.70 108.99 1ibq s SER 35 Ca 0.05 -1.33 0.10 0.00 0.48 0.00 0.00 55.95 55.25 1ibq s SER 35 Cb 0.13 0.06 0.15 0.00 0.10 0.00 0.00 66.02 66.46 1ibq s SER 35 CO 0.74 -0.64 1.05 0.00 0.98 0.00 0.00 173.24 175.37 1ibq n ALA 36 N -0.50 2.07 -2.69 5.32 0.00 -1.26 -0.57 120.51 122.89 1ibq n ALA 36 Ca -0.02 -1.80 -0.31 0.00 0.00 0.00 0.00 53.44 51.31 1ibq n ALA 36 Cb 0.66 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.90 5.09 -0.44 0.00 1.11 -1.26 -4.47 116.67 114.81 1ibq s ASP 37 Ca 0.16 -0.10 -0.01 0.00 0.18 0.00 0.00 52.55 52.79 1ibq s ASP 37 Cb 0.14 -1.27 0.12 0.00 1.07 0.00 0.00 42.92 42.98 1ibq s ASP 37 CO 0.02 0.22 0.22 -0.22 1.18 0.00 0.00 175.17 176.58 1ibq s LEU 38 N -2.00 5.08 0.11 1.23 0.20 -1.26 -0.73 118.68 121.30 1ibq s LEU 38 Ca 0.23 -2.28 0.09 0.00 0.69 0.00 0.00 54.13 52.86 1ibq s LEU 38 Cb -0.12 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1ibq s LEU 38 CO 0.15 -0.45 -0.24 -1.66 -0.29 0.00 0.00 176.35 173.86 1ibq s TRP 39 N 0.76 2.03 0.24 5.38 1.48 -0.85 -0.49 118.94 127.49 1ibq s TRP 39 Ca 0.11 -0.40 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 1ibq s TRP 39 Cb -0.22 -1.12 -0.05 0.00 -1.16 0.00 0.00 33.47 30.92 1ibq s TRP 39 CO -0.04 0.25 0.04 0.14 -4.06 0.00 0.00 176.95 173.27 1ibq s VAL 40 N -1.07 0.77 0.11 -0.66 -7.23 -0.46 -1.00 120.40 110.85 1ibq s VAL 40 Ca 0.10 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 1ibq s VAL 40 Cb -0.10 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 1ibq s VAL 40 CO 0.05 -0.20 1.13 -0.36 -0.31 0.00 0.00 175.10 175.40 1ibq s PHE 41 N -3.60 3.54 0.33 2.82 0.40 -1.09 -1.64 117.98 118.74 1ibq s PHE 41 Ca 0.32 1.49 0.09 0.00 -0.60 0.00 0.00 56.93 58.22 1ibq s PHE 41 Cb 0.07 -3.31 -0.05 0.00 0.51 0.00 0.00 43.02 40.24 1ibq s PHE 41 CO 0.10 -0.81 0.10 -1.54 0.70 0.00 0.00 175.22 173.77 1ibq s SER 42 N 0.52 4.54 0.34 1.36 1.04 -1.18 -0.57 113.70 119.75 1ibq s SER 42 Ca 0.54 -0.82 0.25 0.00 0.48 0.00 0.00 55.95 56.39 1ibq s SER 42 Cb -0.28 -0.69 1.22 0.00 0.10 0.00 0.00 66.02 66.37 1ibq s SER 42 CO 0.32 -0.26 1.75 -2.24 0.98 0.00 0.00 173.24 173.79 1ibq h ASP 43 N 1.64 0.00 0.26 7.02 3.04 -1.86 -2.76 116.42 123.76 1ibq h ASP 43 Ca -0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1ibq h ASP 43 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1ibq h ASP 43 CO 0.64 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 177.22 1ibq n GLU 44 N -2.37 0.55 -2.25 4.15 1.02 -1.26 -4.84 120.64 115.65 1ibq n GLU 44 Ca -0.00 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1ibq n GLU 44 Cb 0.12 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1ibq n GLU 44 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ibq s LEU 45 N -2.32 3.26 0.23 -4.62 1.43 -1.04 -4.89 118.68 110.72 1ibq s LEU 45 Ca 0.30 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1ibq s LEU 45 Cb 0.17 -3.89 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 1ibq s LEU 45 CO 0.34 -0.96 1.44 -2.84 0.23 0.00 0.00 176.35 174.56 1ibq s PRO 46 N -5.04 4.28 0.30 1.29 0.02 -1.26 -4.82 135.00 129.76 1ibq s PRO 46 Ca 0.53 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.88 1ibq s PRO 46 Cb -0.11 -3.13 0.78 0.00 0.02 0.00 0.00 34.50 32.07 1ibq s PRO 46 CO 0.48 -0.43 1.70 0.66 -0.33 0.00 0.00 177.00 179.08 1ibq h SER 47 N 5.34 0.38 0.60 2.53 4.64 -1.95 1.39 113.55 126.48 1ibq h SER 47 Ca -0.45 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ibq h SER 47 Cb 1.22 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1ibq h SER 47 CO 0.80 -0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.21 1ibq n SER 48 N -5.03 0.20 -0.04 4.97 3.41 -1.26 -1.72 113.62 114.15 1ibq n SER 48 Ca 0.24 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1ibq n SER 48 Cb 0.70 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.72 0.67 -0.14 4.33 1.02 0.46 -4.32 120.64 120.93 1ibq n GLU 49 Ca 0.03 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1ibq n GLU 49 Cb 0.20 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 1ibq n GLU 49 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ibq h GLN 50 N 0.01 0.86 -6.09 3.49 4.20 -0.18 -3.46 115.11 113.94 1ibq h GLN 50 Ca -0.38 -0.37 -0.75 0.00 0.06 0.00 0.00 58.65 57.21 1ibq h GLN 50 Cb 2.06 -0.03 0.05 0.00 0.30 0.00 0.00 27.48 29.86 1ibq h GLN 50 CO 0.06 1.01 0.20 2.41 -0.67 0.00 0.00 178.83 181.84 1ibq n THR 51 N -4.23 0.00 -0.67 -0.54 -1.04 -0.70 -1.60 114.28 105.50 1ibq n THR 51 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ibq n THR 51 Cb 0.42 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1ibq n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibq n GLY 52 N 1.88 0.69 2.94 3.41 0.00 -1.26 -4.87 105.19 107.98 1ibq n GLY 52 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.16 -0.09 0.20 1.61 4.02 -0.63 -0.65 115.29 117.59 1ibq s HIS 53 Ca 0.00 0.25 -0.30 0.00 1.02 0.00 0.00 55.06 56.03 1ibq s HIS 53 Cb 0.00 -0.00 -0.08 0.00 -1.02 0.00 0.00 32.58 31.47 1ibq s HIS 53 CO 0.00 -0.06 1.25 -0.51 1.02 0.00 0.00 174.74 176.43 1ibq s ASP 54 N 0.27 7.00 0.15 1.40 1.01 -1.26 -4.98 116.67 120.26 1ibq s ASP 54 Ca -0.02 2.33 0.06 0.00 0.71 0.00 0.00 52.55 55.63 1ibq s ASP 54 Cb -0.03 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1ibq s ASP 54 CO -0.01 -0.44 0.04 -1.48 0.21 0.00 0.00 175.17 173.49 1ibq s LEU 55 N -0.31 3.49 0.02 1.23 0.05 -1.26 -4.72 118.68 117.19 1ibq s LEU 55 Ca 0.54 -0.27 -0.30 0.00 0.05 0.00 0.00 54.13 54.15 1ibq s LEU 55 Cb -0.35 -2.15 -0.05 0.00 -2.05 0.00 0.00 46.19 41.59 1ibq s LEU 55 CO 0.38 0.10 1.26 -0.47 -0.55 0.00 0.00 176.35 177.07 1ibq s TYR 56 N -1.64 3.24 -0.23 3.48 5.04 0.27 -4.93 117.35 122.58 1ibq s TYR 56 Ca 0.28 1.15 0.02 0.00 -2.44 0.00 0.00 57.07 56.08 1ibq s TYR 56 Cb -0.10 -3.49 0.05 0.00 0.35 0.00 0.00 41.96 38.76 1ibq s TYR 56 CO 0.20 -1.63 -0.13 0.99 -1.34 0.00 0.00 175.55 173.64 1ibq s THR 57 N 1.62 2.00 0.74 4.34 2.01 -1.26 -4.45 115.64 120.64 1ibq s THR 57 Ca 0.60 -1.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 1ibq s THR 57 Cb -0.29 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 1ibq s THR 57 CO 0.27 0.16 0.77 -2.65 -0.69 0.00 0.00 174.62 172.47 1ibq n PRO 58 N 4.54 0.36 -2.02 4.92 -0.02 -1.26 -2.70 135.00 138.82 1ibq n PRO 58 Ca -0.16 0.17 -0.28 0.00 -2.02 0.00 0.00 63.50 61.21 1ibq n PRO 58 Cb 0.45 -2.05 0.07 0.00 -0.02 0.00 0.00 33.50 31.95 1ibq n PRO 58 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ibq s SER 59 N -1.61 4.87 0.22 2.55 0.01 -1.26 -4.50 113.70 113.98 1ibq s SER 59 Ca 0.69 0.77 0.24 0.00 1.31 0.00 0.00 55.95 58.95 1ibq s SER 59 Cb -0.34 -1.40 0.92 0.00 0.21 0.00 0.00 66.02 65.41 1ibq s SER 59 CO 0.54 -1.64 1.72 -1.54 0.41 0.00 0.00 173.24 172.73 1ibq n SER 60 N -3.09 0.63 -0.00 2.44 3.41 -1.26 -3.03 113.62 112.72 1ibq n SER 60 Ca 0.07 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 1ibq n SER 60 Cb 0.60 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1ibq n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ibq n SER 61 N -2.17 0.76 -4.46 4.04 3.41 -1.26 -5.01 113.62 108.93 1ibq n SER 61 Ca 0.03 -0.70 -0.33 0.00 -0.26 0.00 0.00 58.87 57.61 1ibq n SER 61 Cb 0.28 1.07 0.12 0.00 -0.26 0.00 0.00 64.21 65.41 1ibq n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibq n ALA 62 N -1.37 -2.19 -3.71 7.33 0.00 -1.17 -4.99 120.51 114.40 1ibq n ALA 62 Ca 0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 1ibq n ALA 62 Cb 0.21 -1.86 -0.17 0.00 0.00 0.00 0.00 19.45 17.63 1ibq n ALA 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ibq s THR 63 N -2.34 -0.10 -0.09 0.00 2.01 -0.82 -4.96 115.64 109.34 1ibq s THR 63 Ca 0.60 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.62 1ibq s THR 63 Cb -0.23 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1ibq s THR 63 CO 0.65 0.14 1.37 -0.75 -0.69 0.00 0.00 174.62 175.33 1ibq s LYS 64 N 1.70 4.25 -0.93 4.92 2.20 -1.26 -0.24 119.74 130.37 1ibq s LYS 64 Ca -0.02 1.85 -0.24 0.00 -0.36 0.00 0.00 55.97 57.20 1ibq s LYS 64 Cb -0.12 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1ibq s LYS 64 CO -0.03 -0.67 1.63 -0.51 -0.36 0.00 0.00 175.35 175.41 1ibq s LEU 65 N 3.16 3.34 0.32 5.43 1.43 0.16 -4.93 118.68 127.58 1ibq s LEU 65 Ca 0.61 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1ibq s LEU 65 Cb -0.27 -2.56 -0.11 0.00 0.03 0.00 0.00 46.19 43.28 1ibq s LEU 65 CO 0.22 -2.02 1.44 -0.44 0.23 0.00 0.00 176.35 175.77 1ibq s SER 66 N 6.13 6.55 0.00 2.29 0.01 -1.26 -2.72 113.70 124.70 1ibq s SER 66 Ca 0.55 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.64 1ibq s SER 66 Cb -0.04 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1ibq s SER 66 CO -0.03 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1ibq n GLY 67 N 1.21 2.81 3.91 3.44 0.00 -1.26 -5.03 105.19 110.26 1ibq n GLY 67 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.05 3.49 0.18 1.61 1.51 -1.10 -4.50 117.35 116.48 1ibq s TYR 68 Ca 0.00 0.69 -0.17 0.00 -1.01 0.00 0.00 57.07 56.57 1ibq s TYR 68 Cb 0.00 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1ibq s TYR 68 CO 0.00 0.05 0.49 -1.54 -1.11 0.00 0.00 175.55 173.44 1ibq s SER 69 N -3.45 -0.27 -0.05 2.29 1.04 0.66 -4.35 113.70 109.57 1ibq s SER 69 Ca 0.45 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 1ibq s SER 69 Cb -0.10 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1ibq s SER 69 CO 0.33 -1.00 0.23 -1.66 0.98 0.00 0.00 173.24 172.13 1ibq s TRP 70 N -3.85 -0.17 -0.15 5.02 1.48 -1.10 -0.11 118.94 120.05 1ibq s TRP 70 Ca 0.08 0.38 -0.08 0.00 -1.06 0.00 0.00 56.10 55.42 1ibq s TRP 70 Cb -0.00 0.06 0.06 0.00 -1.16 0.00 0.00 33.47 32.42 1ibq s TRP 70 CO -0.05 -0.22 0.37 0.34 -4.06 0.00 0.00 176.95 173.32 1ibq s ASP 71 N -0.55 -0.44 0.04 -2.66 -1.08 -1.26 -2.45 116.67 108.27 1ibq s ASP 71 Ca -0.07 0.80 -0.02 0.00 -0.52 0.00 0.00 52.55 52.75 1ibq s ASP 71 Cb -0.04 0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 42.10 1ibq s ASP 71 CO 0.01 -0.19 0.02 -0.51 0.52 0.00 0.00 175.17 175.02 1ibq s ILE 72 N 1.42 0.15 0.02 4.11 2.07 -0.27 -4.90 121.20 123.81 1ibq s ILE 72 Ca -0.09 -1.26 0.01 0.00 -1.41 0.00 0.00 60.65 57.89 1ibq s ILE 72 Cb -0.09 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 1ibq s ILE 72 CO -0.12 -0.70 -0.05 -0.55 -1.91 0.00 0.00 174.94 171.62 1ibq s SER 73 N -2.17 0.45 0.00 4.50 0.15 -1.26 -1.85 113.70 113.53 1ibq s SER 73 Ca -0.05 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1ibq s SER 73 Cb -0.01 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1ibq s SER 73 CO -0.05 -0.21 0.00 -1.22 1.20 0.00 0.00 173.24 172.96 1ibq n TYR 74 N 1.80 0.00 -0.21 3.44 4.02 -0.38 -5.01 117.16 120.83 1ibq n TYR 74 Ca -0.22 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1ibq n TYR 74 Cb 0.56 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.09 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 4.93 -0.78 0.94 2.72 0.00 -1.26 -4.49 105.19 107.25 1ibq n GLY 75 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 1ibq n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ibq n ASP 76 N -4.74 1.58 -2.91 1.61 5.68 -1.26 -4.97 116.55 111.54 1ibq n ASP 76 Ca 0.16 -1.49 -0.16 0.00 -0.50 0.00 0.00 54.79 52.81 1ibq n ASP 76 Cb 0.53 0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1ibq n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ibq n GLY 77 N 3.37 2.67 3.14 6.12 0.00 -1.26 -4.76 105.19 114.47 1ibq n GLY 77 Ca -0.01 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 3.33 4.78 0.51 1.61 1.04 -1.26 -4.91 113.70 118.79 1ibq s SER 78 Ca 0.34 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.49 1ibq s SER 78 Cb 0.11 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1ibq s SER 78 CO -0.02 -0.24 0.21 -0.94 0.98 0.00 0.00 173.24 173.23 1ibq s SER 79 N 1.22 4.40 -0.29 7.02 1.04 -1.26 -1.25 113.70 124.58 1ibq s SER 79 Ca -0.06 -1.36 -0.24 0.00 0.48 0.00 0.00 55.95 54.77 1ibq s SER 79 Cb -0.20 0.28 0.17 0.00 0.10 0.00 0.00 66.02 66.37 1ibq s SER 79 CO -0.02 -0.90 1.28 0.00 0.98 0.00 0.00 173.24 174.57 1ibq s ALA 80 N -2.78 -2.19 0.36 5.32 0.00 -0.77 -2.15 121.76 119.56 1ibq s ALA 80 Ca 0.25 1.79 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 1ibq s ALA 80 Cb 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1ibq s ALA 80 CO 0.15 -0.17 0.56 -1.54 0.00 0.00 0.00 175.76 174.76 1ibq s SER 81 N 0.25 0.76 0.00 0.00 1.04 -0.63 -1.11 113.70 114.01 1ibq s SER 81 Ca 0.04 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1ibq s SER 81 Cb -0.05 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1ibq s SER 81 CO -0.12 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.29 1ibq n GLY 82 N -0.57 0.03 2.51 7.32 0.00 -1.02 -1.25 105.19 112.20 1ibq n GLY 82 Ca -0.01 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1ibq n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ibq n ASP 83 N 0.00 1.43 -3.95 1.61 9.92 0.25 -2.72 116.55 123.10 1ibq n ASP 83 Ca 0.00 -2.01 -0.17 0.00 -0.53 0.00 0.00 54.79 52.08 1ibq n ASP 83 Cb 0.00 -0.25 -0.15 0.00 -0.64 0.00 0.00 41.12 40.08 1ibq n ASP 83 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ibq s VAL 84 N -1.36 0.48 0.10 2.53 1.01 -1.26 -0.85 120.40 121.06 1ibq s VAL 84 Ca 0.37 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1ibq s VAL 84 Cb -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1ibq s VAL 84 CO 0.24 0.16 -0.17 -0.31 0.00 0.00 0.00 175.10 175.01 1ibq s TYR 85 N 0.18 1.54 -0.55 5.22 2.02 0.28 -0.67 117.35 125.37 1ibq s TYR 85 Ca -0.02 -0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 1ibq s TYR 85 Cb -0.06 -0.84 0.14 0.00 -0.40 0.00 0.00 41.96 40.80 1ibq s TYR 85 CO -0.00 0.16 0.44 1.03 -1.57 0.00 0.00 175.55 175.60 1ibq s ARG 86 N -2.02 2.71 0.35 -0.62 1.81 0.66 0.65 118.95 122.49 1ibq s ARG 86 Ca 0.05 -1.95 0.01 0.00 -1.72 0.00 0.00 55.73 52.12 1ibq s ARG 86 Cb -0.09 -4.03 -0.00 0.00 -0.45 0.00 0.00 34.95 30.38 1ibq s ARG 86 CO 0.04 -1.23 0.04 -3.47 -0.68 0.00 0.00 175.30 170.00 1ibq n ASP 87 N 4.66 2.37 -4.72 0.23 -0.08 -0.89 -1.94 116.55 116.18 1ibq n ASP 87 Ca -0.04 -2.61 -0.38 0.00 -1.51 0.00 0.00 54.79 50.25 1ibq n ASP 87 Cb 0.41 0.43 -0.06 0.00 2.34 0.00 0.00 41.12 44.24 1ibq n ASP 87 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ibq s THR 88 N -2.45 5.21 -0.05 5.18 2.01 -1.26 -2.68 115.64 121.59 1ibq s THR 88 Ca 0.05 0.88 0.03 0.00 0.31 0.00 0.00 61.69 62.96 1ibq s THR 88 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1ibq s THR 88 CO 0.04 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.50 1ibq s VAL 89 N 0.57 1.07 -0.17 3.82 1.01 -0.43 -0.66 120.40 125.60 1ibq s VAL 89 Ca 0.24 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1ibq s VAL 89 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1ibq s VAL 89 CO 0.09 0.33 -0.17 -0.89 0.00 0.00 0.00 175.10 174.46 1ibq s THR 90 N 0.46 1.88 -0.26 3.92 2.01 0.11 -2.57 115.64 121.19 1ibq s THR 90 Ca -0.10 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1ibq s THR 90 Cb -0.13 -1.74 0.07 0.00 0.01 0.00 0.00 72.50 70.72 1ibq s THR 90 CO 0.02 0.48 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 1ibq s VAL 91 N 1.36 1.56 -1.64 3.82 1.01 -0.92 -1.19 120.40 124.39 1ibq s VAL 91 Ca 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1ibq s VAL 91 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1ibq s VAL 91 CO -0.12 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1ibq n GLY 92 N 4.62 -0.32 0.00 4.51 0.00 -1.26 -2.50 105.19 110.23 1ibq n GLY 92 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.00 3.17 3.63 -0.02 0.00 -1.26 -3.30 105.19 106.40 1ibq n GLY 93 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.88 4.66 0.13 1.61 1.01 -1.04 -4.99 120.40 118.90 1ibq s VAL 94 Ca 0.00 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1ibq s VAL 94 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1ibq s VAL 94 CO 0.00 -0.34 -0.10 -0.89 0.00 0.00 0.00 175.10 173.77 1ibq s THR 95 N 3.27 3.30 -0.07 3.92 2.01 -1.26 -2.18 115.64 124.63 1ibq s THR 95 Ca 0.39 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.86 1ibq s THR 95 Cb -0.13 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.83 1ibq s THR 95 CO 0.13 0.03 0.30 0.28 -0.69 0.00 0.00 174.62 174.68 1ibq s THR 96 N -1.38 0.03 -0.49 -0.82 -1.32 -1.06 -5.03 115.64 105.58 1ibq s THR 96 Ca 0.22 -0.24 0.11 0.00 -1.21 0.00 0.00 61.69 60.57 1ibq s THR 96 Cb -0.10 -0.51 0.32 0.00 -1.51 0.00 0.00 72.50 70.69 1ibq s THR 96 CO 0.14 -0.13 1.25 -0.46 -2.21 0.00 0.00 174.62 173.21 1ibq n ASN 97 N 2.14 2.99 -0.62 8.08 6.94 -1.26 -1.32 115.26 132.21 1ibq n ASN 97 Ca -0.17 -2.39 0.05 0.00 -0.02 0.00 0.00 54.58 52.05 1ibq n ASN 97 Cb 0.57 -0.30 0.10 0.00 -2.36 0.00 0.00 39.78 37.79 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 -0.12 0.80 -2.73 -3.83 2.85 -1.25 -4.54 118.16 109.34 1ibq n LYS 98 Ca 0.13 -2.31 -0.41 0.00 -1.05 0.00 0.00 58.31 54.67 1ibq n LYS 98 Cb 0.55 -0.99 -0.04 0.00 -0.65 0.00 0.00 35.03 33.90 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 -1.71 4.69 -0.04 -1.58 2.00 -1.09 -4.90 119.66 117.02 1ibq s GLN 99 Ca 0.27 1.45 -0.29 0.00 -2.00 0.00 0.00 55.36 54.79 1ibq s GLN 99 Cb 0.27 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 30.67 1ibq s GLN 99 CO -0.05 0.19 0.94 0.00 -0.50 0.00 0.00 175.29 175.87 1ibq s ALA 100 N 0.07 3.25 -0.21 1.58 0.00 -1.26 -2.08 121.76 123.11 1ibq s ALA 100 Ca 0.47 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 1ibq s ALA 100 Cb -0.23 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1ibq s ALA 100 CO 0.30 -0.31 -0.06 0.08 0.00 0.00 0.00 175.76 175.77 1ibq s VAL 101 N 1.23 3.28 -0.57 0.00 1.01 0.21 -4.74 120.40 120.81 1ibq s VAL 101 Ca 0.49 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1ibq s VAL 101 Cb -0.20 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.79 1ibq s VAL 101 CO 0.24 0.44 0.74 -1.61 0.00 0.00 0.00 175.10 174.91 1ibq s GLU 102 N 1.35 3.10 0.04 2.72 2.02 0.36 -0.56 118.70 127.72 1ibq s GLU 102 Ca 0.04 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 1ibq s GLU 102 Cb -0.14 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.85 1ibq s GLU 102 CO -0.03 -1.49 1.02 0.00 0.02 0.00 0.00 175.26 174.78 1ibq s ALA 103 N 2.99 3.22 -0.10 5.21 0.00 -0.03 -1.35 121.76 131.71 1ibq s ALA 103 Ca 0.16 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.64 1ibq s ALA 103 Cb -0.21 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1ibq s ALA 103 CO 0.09 -0.22 0.20 0.00 0.00 0.00 0.00 175.76 175.84 1ibq s ALA 104 N 0.74 3.83 -0.04 0.00 0.00 -0.65 -0.58 121.76 125.06 1ibq s ALA 104 Ca 0.52 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1ibq s ALA 104 Cb -0.23 -2.07 0.09 0.00 0.00 0.00 0.00 23.12 20.91 1ibq s ALA 104 CO 0.29 0.57 0.99 -1.13 0.00 0.00 0.00 175.76 176.49 1ibq n SER 105 N 2.00 0.86 -3.32 0.00 3.41 -0.38 -3.08 113.62 113.11 1ibq n SER 105 Ca -0.19 -2.23 0.02 0.00 -0.26 0.00 0.00 58.87 56.22 1ibq n SER 105 Cb 0.54 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1ibq n SER 105 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ibq s LYS 106 N -0.96 0.19 0.19 4.33 2.20 -1.24 -4.72 119.74 119.73 1ibq s LYS 106 Ca 0.10 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.11 1ibq s LYS 106 Cb 0.09 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 1ibq s LYS 106 CO 0.01 -0.06 0.28 0.96 -0.36 0.00 0.00 175.35 176.17 1ibq s ILE 107 N 2.26 0.04 0.55 5.43 -4.36 -1.26 -1.61 121.20 122.25 1ibq s ILE 107 Ca -0.02 -1.57 -0.06 0.00 -0.26 0.00 0.00 60.65 58.74 1ibq s ILE 107 Cb -0.04 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1ibq s ILE 107 CO -0.17 -0.17 0.87 -0.94 0.24 0.00 0.00 174.94 174.76 1ibq s SER 108 N -3.03 5.91 0.14 4.36 1.04 -0.91 -4.90 113.70 116.31 1ibq s SER 108 Ca 0.24 0.86 -0.31 0.00 0.48 0.00 0.00 55.95 57.21 1ibq s SER 108 Cb 0.03 -1.98 -0.08 0.00 0.10 0.00 0.00 66.02 64.09 1ibq s SER 108 CO 0.05 -0.86 1.55 -1.28 0.98 0.00 0.00 173.24 173.69 1ibq h SER 109 N -0.03 -1.82 -1.00 7.02 0.87 -1.92 -1.63 113.55 115.04 1ibq h SER 109 Ca -0.46 0.25 0.37 0.00 -1.23 0.00 0.00 61.79 60.73 1ibq h SER 109 Cb 1.23 0.76 -0.18 0.00 -0.44 0.00 0.00 62.40 63.78 1ibq h SER 109 CO 0.61 -0.38 0.41 -0.08 -0.53 0.00 0.00 176.83 176.86 1ibq h GLU 110 N -0.33 0.02 0.26 2.24 4.81 -1.94 0.90 114.58 120.54 1ibq h GLU 110 Ca 0.10 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ibq h GLU 110 Cb 0.58 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ibq h GLU 110 CO -0.64 0.02 -0.12 0.74 -0.73 0.00 0.00 179.01 178.27 1ibq h PHE 111 N 0.02 -0.32 -0.42 0.92 0.05 -1.69 -3.09 116.94 112.41 1ibq h PHE 111 Ca 0.78 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 62.65 1ibq h PHE 111 Cb 1.95 0.11 -0.09 0.00 2.00 0.00 0.00 35.95 39.91 1ibq h PHE 111 CO -0.14 -0.07 -0.21 0.28 -0.18 0.00 0.00 178.31 178.00 1ibq h VAL 112 N -1.03 0.40 -0.06 -0.55 2.07 -0.62 -0.78 116.25 115.68 1ibq h VAL 112 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ibq h VAL 112 Cb 0.40 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1ibq h VAL 112 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1ibq n GLN 113 N -5.38 1.14 -3.08 1.57 6.02 0.15 -4.20 117.38 113.61 1ibq n GLN 113 Ca 0.03 -0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 1ibq n GLN 113 Cb 0.29 -1.07 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 1ibq n GLN 113 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ibq n ASP 114 N -0.31 5.91 -4.60 1.08 -0.08 -0.30 -5.03 116.55 113.21 1ibq n ASP 114 Ca 0.02 -3.43 -0.44 0.00 -1.51 0.00 0.00 54.79 49.43 1ibq n ASP 114 Cb 0.06 -1.14 -0.01 0.00 2.34 0.00 0.00 41.12 42.37 1ibq n ASP 114 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1ibq n THR 115 N 1.16 2.03 0.00 5.18 -1.04 -1.26 -2.72 114.28 117.64 1ibq n THR 115 Ca 0.27 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1ibq n THR 115 Cb 0.35 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1ibq n THR 115 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ibq n ALA 116 N 0.15 0.00 -1.68 2.41 0.00 0.18 -5.02 120.51 116.54 1ibq n ALA 116 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 53.02 1ibq n ALA 116 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 1ibq n ALA 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ibq n ASN 117 N 2.58 3.07 -0.68 0.00 2.85 -1.10 -4.71 115.26 117.27 1ibq n ASN 117 Ca 0.00 1.01 0.06 0.00 -0.11 0.00 0.00 54.58 55.54 1ibq n ASN 117 Cb 0.00 -1.31 0.16 0.00 1.24 0.00 0.00 39.78 39.87 1ibq n ASN 117 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ibq n ASP 118 N 5.87 2.96 0.00 1.20 10.43 -0.79 -4.91 116.55 131.31 1ibq n ASP 118 Ca 0.23 -1.98 0.00 0.00 2.57 0.00 0.00 54.79 55.61 1ibq n ASP 118 Cb 0.25 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 42.97 1ibq n ASP 118 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ibq n GLY 119 N 0.61 0.93 3.28 0.44 0.00 -1.26 -2.66 105.19 106.53 1ibq n GLY 119 Ca 0.12 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 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 2.36 -0.30 0.99 1.02 -0.17 -1.68 118.68 120.90 1ibq s LEU 120 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 54.13 53.43 1ibq s LEU 120 Cb 0.00 -0.75 0.08 0.00 0.02 0.00 0.00 46.19 45.54 1ibq s LEU 120 CO 0.00 -0.03 -0.03 -0.22 0.02 0.00 0.00 176.35 176.10 1ibq s LEU 121 N -2.22 4.08 0.13 1.79 0.20 -0.53 -2.01 118.68 120.13 1ibq s LEU 121 Ca 0.09 -1.78 -0.29 0.00 0.69 0.00 0.00 54.13 52.83 1ibq s LEU 121 Cb -0.08 -1.57 -0.07 0.00 -0.43 0.00 0.00 46.19 44.04 1ibq s LEU 121 CO 0.04 -0.29 0.92 -0.83 -0.29 0.00 0.00 176.35 175.90 1ibq s GLY 122 N 1.01 3.00 -0.08 7.98 0.00 0.09 -1.25 107.32 118.07 1ibq s GLY 122 Ca 0.01 0.53 0.12 0.00 0.00 0.00 0.00 44.72 45.39 1ibq s GLY 122 CO -0.07 1.32 1.10 1.04 0.00 0.00 0.00 173.10 176.49 1ibq n LEU 123 N 2.44 1.47 0.00 0.66 4.77 -0.11 -4.35 117.00 121.88 1ibq n LEU 123 Ca 0.00 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1ibq n LEU 123 Cb 0.49 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ibq n LEU 123 CO 0.50 0.56 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 1ibq n ALA 124 N -0.87 0.00 -2.15 -1.18 0.00 0.27 -4.78 120.51 111.80 1ibq n ALA 124 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 1ibq n ALA 124 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.65 3.50 0.63 0.00 0.40 -0.51 -4.78 117.98 116.58 1ibq s PHE 125 Ca 0.00 1.48 0.26 0.00 -0.60 0.00 0.00 56.93 58.07 1ibq s PHE 125 Cb 0.00 -3.36 1.34 0.00 0.51 0.00 0.00 43.02 41.51 1ibq s PHE 125 CO 0.00 -0.94 1.76 0.77 0.70 0.00 0.00 175.22 177.51 1ibq h SER 126 N 5.53 0.00 -0.05 1.36 0.02 -1.89 -2.43 113.55 116.10 1ibq h SER 126 Ca -0.44 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1ibq h SER 126 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1ibq h SER 126 CO 0.75 0.00 0.08 0.77 -1.14 0.00 0.00 176.83 177.29 1ibq h SER 127 N 0.00 0.00 -0.62 3.07 4.64 -1.90 -1.56 113.55 117.18 1ibq h SER 127 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ibq h SER 127 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 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 -3.54 0.96 -1.12 0.95 -5.35 -0.91 -4.97 119.36 105.37 1ibq n ILE 128 Ca -0.02 -0.98 -0.35 0.00 -0.27 0.00 0.00 62.75 61.14 1ibq n ILE 128 Cb 0.16 0.54 0.10 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.37 -0.75 -0.52 7.28 2.85 -0.59 -4.72 115.26 120.18 1ibq n ASN 129 Ca 0.21 0.53 0.05 0.00 -0.11 0.00 0.00 54.58 55.26 1ibq n ASN 129 Cb 0.57 -1.30 0.11 0.00 1.24 0.00 0.00 39.78 40.40 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 -2.91 0.70 -1.98 -0.44 -2.24 -1.26 -4.85 114.28 101.29 1ibq n THR 130 Ca 0.10 -0.85 -0.37 0.00 -2.27 0.00 0.00 64.05 60.67 1ibq n THR 130 Cb 0.51 0.71 0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1ibq n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ibq s VAL 131 N -0.95 2.54 0.03 2.28 1.01 -1.26 -4.27 120.40 119.77 1ibq s VAL 131 Ca 0.18 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1ibq s VAL 131 Cb 0.10 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1ibq s VAL 131 CO 0.14 -0.05 -0.06 -1.10 0.00 0.00 0.00 175.10 174.04 1ibq s GLN 132 N -3.12 0.41 0.05 2.72 -0.21 0.85 -3.38 119.66 116.99 1ibq s GLN 132 Ca 0.74 -0.59 0.28 0.00 0.02 0.00 0.00 55.36 55.81 1ibq s GLN 132 Cb -0.33 -0.16 1.10 0.00 1.00 0.00 0.00 33.01 34.62 1ibq s GLN 132 CO 0.37 0.02 1.87 -0.35 -2.12 0.00 0.00 175.29 175.09 1ibq n PRO 133 N 1.79 0.07 -4.69 2.91 -0.04 -1.26 -0.25 135.00 133.53 1ibq n PRO 133 Ca -0.21 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1ibq n PRO 133 Cb 0.56 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.03 3.17 0.82 0.54 1.02 -1.26 -5.10 119.74 115.91 1ibq s LYS 134 Ca 0.13 -0.78 -0.14 0.00 0.02 0.00 0.00 55.97 55.20 1ibq s LYS 134 Cb 0.17 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1ibq s LYS 134 CO 0.55 0.06 0.79 0.00 -0.92 0.00 0.00 175.35 175.83 1ibq n ALA 135 N 3.91 -1.16 -2.54 5.17 0.00 -1.22 -4.73 120.51 119.94 1ibq n ALA 135 Ca -0.19 -0.38 -0.26 0.00 0.00 0.00 0.00 53.44 52.62 1ibq n ALA 135 Cb 0.52 -2.01 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 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 -3.58 1.81 0.21 0.00 -1.52 -1.26 -4.99 119.66 110.34 1ibq s GLN 136 Ca 0.67 -1.97 -0.18 0.00 -1.95 0.00 0.00 55.36 51.93 1ibq s GLN 136 Cb -0.29 -1.54 -0.08 0.00 -0.22 0.00 0.00 33.01 30.88 1ibq s GLN 136 CO 0.57 0.04 0.68 0.95 -0.25 0.00 0.00 175.29 177.29 1ibq s THR 137 N -2.75 4.65 1.28 -0.19 -4.23 -1.26 -4.69 115.64 108.44 1ibq s THR 137 Ca 0.33 1.15 -0.21 0.00 -1.18 0.00 0.00 61.69 61.78 1ibq s THR 137 Cb 0.05 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.40 1ibq s THR 137 CO 0.16 0.18 1.05 0.42 -0.54 0.00 0.00 174.62 175.90 1ibq s THR 138 N -1.55 1.46 0.00 3.99 -4.23 -1.26 -4.66 115.64 109.39 1ibq s THR 138 Ca 0.43 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.69 1ibq s THR 138 Cb -0.16 -2.36 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 1ibq s THR 138 CO 0.20 0.00 1.24 0.15 -0.54 0.00 0.00 174.62 175.67 1ibq h PHE 139 N -2.88 -0.30 -0.58 3.99 3.57 -1.94 -1.83 116.94 116.97 1ibq h PHE 139 Ca -0.44 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.17 1ibq h PHE 139 Cb 1.31 0.10 -0.11 0.00 2.79 0.00 0.00 35.95 40.04 1ibq h PHE 139 CO -2.59 0.04 -0.07 0.35 -2.23 0.00 0.00 178.31 173.81 1ibq h PHE 140 N -0.69 -0.17 -0.85 0.41 3.57 -1.93 0.09 116.94 117.37 1ibq h PHE 140 Ca -0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ibq h PHE 140 Cb 0.48 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1ibq h PHE 140 CO 0.03 -0.21 0.54 0.22 -2.23 0.00 0.00 178.31 176.66 1ibq h ASP 141 N 0.05 1.00 0.77 0.41 -0.00 -1.91 0.96 116.42 117.69 1ibq h ASP 141 Ca 0.29 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.03 57.18 1ibq h ASP 141 Cb 0.46 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1ibq h ASP 141 CO -0.55 0.75 -0.49 0.74 -0.00 0.00 0.00 179.24 179.68 1ibq h THR 142 N 1.16 1.13 -0.24 2.25 2.02 -0.14 -3.09 112.91 116.00 1ibq h THR 142 Ca 0.31 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1ibq h THR 142 Cb -0.09 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1ibq h THR 142 CO -0.06 0.48 0.00 1.33 0.37 0.00 0.00 175.52 177.64 1ibq n VAL 143 N -3.64 0.51 -0.27 3.16 0.24 -0.42 -4.71 118.33 113.21 1ibq n VAL 143 Ca -0.01 -0.75 0.07 0.00 -2.04 0.00 0.00 64.34 61.61 1ibq n VAL 143 Cb 0.56 0.90 0.19 0.00 -1.47 0.00 0.00 33.84 34.03 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 2.79 0.14 -0.10 7.34 3.64 -0.73 0.77 116.57 130.42 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 0.71 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1ibq h LYS 144 CO 0.00 0.10 0.00 -1.13 -2.27 0.00 0.00 179.45 176.15 1ibq n SER 145 N -5.29 0.59 -0.00 4.20 3.41 -1.26 -2.71 113.62 112.55 1ibq n SER 145 Ca 0.16 -1.87 0.07 0.00 -0.26 0.00 0.00 58.87 56.96 1ibq n SER 145 Cb 0.52 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 1ibq n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibq n GLN 146 N -0.24 1.74 -2.92 4.33 6.02 0.25 -4.98 117.38 121.58 1ibq n GLN 146 Ca 0.07 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 1ibq n GLN 146 Cb 0.11 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 1ibq n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ibq s LEU 147 N -3.08 4.60 0.44 1.08 1.43 -1.10 -1.48 118.68 120.56 1ibq s LEU 147 Ca 0.02 1.72 0.13 0.00 -1.03 0.00 0.00 54.13 54.97 1ibq s LEU 147 Cb 0.10 -3.40 1.03 0.00 0.03 0.00 0.00 46.19 43.95 1ibq s LEU 147 CO 0.59 0.19 2.00 0.44 0.23 0.00 0.00 176.35 179.80 1ibq h ASP 148 N 4.23 0.36 -3.82 2.29 3.32 -1.41 -3.41 116.42 117.97 1ibq h ASP 148 Ca -0.47 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.34 1ibq h ASP 148 Cb 1.20 -0.07 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 1ibq h ASP 148 CO 0.66 0.22 -0.73 -0.44 -1.72 0.00 0.00 179.24 177.24 1ibq s SER 149 N -6.33 0.17 -1.19 6.45 0.01 -1.10 -5.04 113.70 106.66 1ibq s SER 149 Ca -0.08 -0.04 -0.14 0.00 1.31 0.00 0.00 55.95 57.00 1ibq s SER 149 Cb 0.19 -0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.35 1ibq s SER 149 CO 0.74 0.00 2.25 -0.81 0.41 0.00 0.00 173.24 175.84 1ibq n PRO 150 N 2.99 2.47 -3.92 12.44 -0.04 -1.26 -4.19 135.00 143.49 1ibq n PRO 150 Ca -0.13 -2.11 -0.09 0.00 -0.04 0.00 0.00 63.50 61.13 1ibq n PRO 150 Cb 0.59 -2.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.08 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 1.18 0.14 0.02 1.53 0.05 -1.26 -1.88 118.68 118.46 1ibq s LEU 151 Ca 0.53 -0.95 -0.13 0.00 0.05 0.00 0.00 54.13 53.63 1ibq s LEU 151 Cb 0.14 2.31 0.02 0.00 -2.05 0.00 0.00 46.19 46.61 1ibq s LEU 151 CO -0.01 -1.37 0.27 0.72 -0.55 0.00 0.00 176.35 175.41 1ibq s PHE 152 N -3.44 -0.09 0.16 3.48 -0.71 -0.99 -0.24 117.98 116.16 1ibq s PHE 152 Ca 0.18 0.02 0.08 0.00 -1.04 0.00 0.00 56.93 56.16 1ibq s PHE 152 Cb -0.03 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1ibq s PHE 152 CO 0.10 -0.43 -0.16 0.00 -1.34 0.00 0.00 175.22 173.40 1ibq s ALA 153 N -2.00 1.88 0.02 1.99 0.00 0.10 -0.93 121.76 122.82 1ibq s ALA 153 Ca -0.09 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.43 1ibq s ALA 153 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1ibq s ALA 153 CO -0.00 0.16 -0.14 0.14 0.00 0.00 0.00 175.76 175.92 1ibq s VAL 154 N -2.33 1.10 -0.40 0.00 -7.23 0.33 -0.02 120.40 111.85 1ibq s VAL 154 Ca 0.16 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.54 1ibq s VAL 154 Cb -0.04 -0.96 0.14 0.00 0.56 0.00 0.00 36.38 36.08 1ibq s VAL 154 CO 0.06 0.15 0.22 -1.58 -0.31 0.00 0.00 175.10 173.64 1ibq s GLN 155 N -0.74 0.95 0.05 4.82 0.74 0.12 -1.78 119.66 123.81 1ibq s GLN 155 Ca 0.03 -1.67 -0.23 0.00 0.05 0.00 0.00 55.36 53.54 1ibq s GLN 155 Cb -0.07 -1.88 -0.06 0.00 1.10 0.00 0.00 33.01 32.11 1ibq s GLN 155 CO 0.00 -1.17 0.68 -0.51 -0.55 0.00 0.00 175.29 173.74 1ibq s LEU 156 N 0.72 4.47 0.14 3.68 1.43 -1.26 0.19 118.68 128.05 1ibq s LEU 156 Ca 0.17 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 1ibq s LEU 156 Cb -0.24 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1ibq s LEU 156 CO -0.00 0.11 -0.08 -0.54 0.23 0.00 0.00 176.35 176.07 1ibq s LYS 157 N -0.40 2.16 -0.29 1.70 -0.14 -1.25 -4.37 119.74 117.14 1ibq s LYS 157 Ca 0.34 -1.13 -0.26 0.00 -1.36 0.00 0.00 55.97 53.56 1ibq s LYS 157 Cb -0.20 -2.26 0.01 0.00 -1.68 0.00 0.00 37.83 33.69 1ibq s LYS 157 CO 0.21 0.47 0.93 -1.58 -0.76 0.00 0.00 175.35 174.62 1ibq s HIS 158 N -1.49 3.22 -1.49 3.18 5.65 -1.26 -3.90 115.29 119.21 1ibq s HIS 158 Ca 0.24 1.08 -0.12 0.00 0.25 0.00 0.00 55.06 56.51 1ibq s HIS 158 Cb -0.10 -3.37 0.07 0.00 -1.18 0.00 0.00 32.58 28.00 1ibq s HIS 158 CO 0.15 -0.60 0.95 -0.25 -0.65 0.00 0.00 174.74 174.34 1ibq n ASP 159 N 6.42 -5.16 -3.57 9.88 8.00 -1.26 -4.94 116.55 125.92 1ibq n ASP 159 Ca 0.08 -0.66 -0.12 0.00 0.71 0.00 0.00 54.79 54.80 1ibq n ASP 159 Cb 0.47 -4.11 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 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 -3.26 -1.91 0.27 2.24 0.00 -1.25 -5.05 121.76 112.80 1ibq s ALA 160 Ca 0.60 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.81 1ibq s ALA 160 Cb -0.29 -0.62 -0.11 0.00 0.00 0.00 0.00 23.12 22.10 1ibq s ALA 160 CO 0.74 -0.32 1.58 -1.25 0.00 0.00 0.00 175.76 176.52 1ibq s PRO 161 N -1.10 4.15 0.00 0.00 0.04 -1.26 -3.96 135.00 132.87 1ibq s PRO 161 Ca -0.03 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1ibq s PRO 161 Cb -0.00 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1ibq s PRO 161 CO 0.03 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1ibq n GLY 162 N 2.46 2.64 3.56 0.56 0.00 0.23 -4.64 105.19 109.99 1ibq n GLY 162 Ca 0.09 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 4.00 0.00 -0.21 1.61 0.11 0.13 -3.04 120.40 123.00 1ibq s VAL 163 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ibq s VAL 163 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1ibq s VAL 163 CO 0.00 0.00 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.32 1ibq s TYR 164 N -1.07 2.95 -0.21 1.54 2.02 -0.70 0.10 117.35 121.98 1ibq s TYR 164 Ca -0.05 -1.70 -0.09 0.00 -0.37 0.00 0.00 57.07 54.86 1ibq s TYR 164 Cb -0.01 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1ibq s TYR 164 CO 0.04 -0.78 0.11 -0.51 -1.57 0.00 0.00 175.55 172.84 1ibq s ASP 165 N 1.28 5.90 -0.26 2.29 -0.00 0.97 -2.13 116.67 124.71 1ibq s ASP 165 Ca 0.01 0.12 -0.07 0.00 -0.00 0.00 0.00 52.55 52.61 1ibq s ASP 165 Cb -0.15 -2.04 -0.01 0.00 -0.00 0.00 0.00 42.92 40.72 1ibq s ASP 165 CO -0.09 0.13 0.06 -0.36 -0.00 0.00 0.00 175.17 174.91 1ibq s PHE 166 N 0.63 3.09 0.00 4.23 0.08 0.94 0.00 117.98 126.95 1ibq s PHE 166 Ca 0.06 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1ibq s PHE 166 Cb -0.12 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1ibq s PHE 166 CO 0.01 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 175.06 1ibq n GLY 167 N 4.88 0.59 3.53 4.36 0.00 0.67 -1.92 105.19 117.31 1ibq n GLY 167 Ca -0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.33 -0.19 1.61 1.13 -1.26 -2.70 117.35 113.61 1ibq s TYR 168 Ca 0.00 0.17 -0.03 0.00 -1.41 0.00 0.00 57.07 55.79 1ibq s TYR 168 Cb 0.00 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.40 1ibq s TYR 168 CO 0.00 -0.60 -0.05 0.42 -2.51 0.00 0.00 175.55 172.82 1ibq s ILE 169 N -3.18 3.52 -0.56 -3.49 1.01 -1.26 -4.58 121.20 112.67 1ibq s ILE 169 Ca 0.06 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1ibq s ILE 169 Cb -0.01 -2.57 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1ibq s ILE 169 CO -0.08 0.45 0.85 -0.62 0.00 0.00 0.00 174.94 175.54 1ibq s ASP 170 N 1.04 6.27 0.55 3.58 -1.08 -1.26 -4.93 116.67 120.84 1ibq s ASP 170 Ca 0.01 -0.66 0.37 0.00 -0.52 0.00 0.00 52.55 51.74 1ibq s ASP 170 Cb -0.15 -2.39 1.99 0.00 -1.46 0.00 0.00 42.92 40.92 1ibq s ASP 170 CO 0.00 -1.17 2.13 0.44 0.52 0.00 0.00 175.17 177.10 1ibq h ASP 171 N 9.26 0.00 -0.03 -0.34 3.32 -1.97 -2.05 116.42 124.61 1ibq h ASP 171 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1ibq h ASP 171 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1ibq h ASP 171 CO 1.07 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 177.05 1ibq n SER 172 N -2.81 0.43 -0.11 6.45 3.41 -1.26 -3.65 113.62 116.08 1ibq n SER 172 Ca -0.02 -1.35 0.10 0.00 -0.26 0.00 0.00 58.87 57.34 1ibq n SER 172 Cb 0.07 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1ibq n SER 172 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ibq n LYS 173 N -0.57 0.27 -3.98 4.33 5.02 -0.77 -4.83 118.16 117.63 1ibq n LYS 173 Ca 0.18 -0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 1ibq n LYS 173 Cb 0.15 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1ibq n LYS 173 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1ibq s TYR 174 N -2.88 0.42 0.08 2.13 1.13 -1.24 -1.16 117.35 115.82 1ibq s TYR 174 Ca 0.11 -0.84 0.09 0.00 -1.41 0.00 0.00 57.07 55.02 1ibq s TYR 174 Cb 0.17 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 1ibq s TYR 174 CO 0.79 -0.57 -0.25 0.95 -2.51 0.00 0.00 175.55 173.96 1ibq s THR 175 N -3.94 2.07 0.00 -3.49 -4.23 -0.71 -4.70 115.64 100.64 1ibq s THR 175 Ca 0.13 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1ibq s THR 175 Cb 0.05 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1ibq s THR 175 CO -0.05 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1ibq n GLY 176 N 1.44 -1.63 3.93 3.99 0.00 -1.26 -3.98 105.19 107.68 1ibq n GLY 176 Ca -0.18 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 1ibq n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibq s SER 177 N -4.00 6.34 -0.08 1.61 0.15 -1.26 -4.96 113.70 111.49 1ibq s SER 177 Ca 0.00 0.53 -0.27 0.00 0.70 0.00 0.00 55.95 56.92 1ibq s SER 177 Cb 0.00 -2.07 -0.02 0.00 -1.71 0.00 0.00 66.02 62.22 1ibq s SER 177 CO 0.00 -0.26 0.86 -0.63 1.20 0.00 0.00 173.24 174.41 1ibq s ILE 178 N -2.24 4.91 -0.18 6.45 1.01 -1.26 -4.60 121.20 125.28 1ibq s ILE 178 Ca 0.41 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 62.73 1ibq s ILE 178 Cb -0.10 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1ibq s ILE 178 CO 0.34 0.12 0.12 -0.89 0.00 0.00 0.00 174.94 174.64 1ibq s THR 179 N 1.44 5.32 0.02 2.92 2.01 -0.58 -4.89 115.64 121.89 1ibq s THR 179 Ca 0.43 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.61 1ibq s THR 179 Cb -0.18 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1ibq s THR 179 CO 0.19 0.47 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.27 1ibq s TYR 180 N 0.15 3.02 0.09 4.92 2.02 -1.26 -1.30 117.35 124.99 1ibq s TYR 180 Ca 0.08 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 1ibq s TYR 180 Cb -0.11 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1ibq s TYR 180 CO -0.01 0.45 -0.11 0.99 -1.57 0.00 0.00 175.55 175.30 1ibq s THR 181 N -1.14 0.99 0.06 -0.71 2.01 -0.19 -4.98 115.64 111.68 1ibq s THR 181 Ca 0.21 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.35 1ibq s THR 181 Cb -0.11 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1ibq s THR 181 CO 0.12 -0.48 1.14 -1.81 -0.69 0.00 0.00 174.62 172.90 1ibq s ASP 182 N -2.28 7.16 0.05 3.53 -0.00 -1.26 -1.16 116.67 122.72 1ibq s ASP 182 Ca 0.04 1.94 -0.21 0.00 -0.00 0.00 0.00 52.55 54.31 1ibq s ASP 182 Cb -0.05 -2.58 -0.06 0.00 -0.00 0.00 0.00 42.92 40.23 1ibq s ASP 182 CO 0.01 -0.40 0.62 0.00 -0.00 0.00 0.00 175.17 175.40 1ibq s ALA 183 N 0.94 3.51 -0.41 5.23 0.00 -0.55 -4.54 121.76 125.95 1ibq s ALA 183 Ca 0.56 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 1ibq s ALA 183 Cb -0.27 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1ibq s ALA 183 CO 0.29 0.27 0.28 0.34 0.00 0.00 0.00 175.76 176.94 1ibq s ASP 184 N -0.67 5.95 -0.09 0.00 3.68 0.29 -4.45 116.67 121.37 1ibq s ASP 184 Ca 0.31 -1.06 0.15 0.00 2.13 0.00 0.00 52.55 54.08 1ibq s ASP 184 Cb -0.20 -2.10 0.60 0.00 -1.45 0.00 0.00 42.92 39.77 1ibq s ASP 184 CO 0.20 -0.47 1.48 -1.54 0.13 0.00 0.00 175.17 174.97 1ibq n SER 185 N 5.09 4.03 -0.19 -0.34 3.41 -1.26 -2.14 113.62 122.23 1ibq n SER 185 Ca -0.11 -2.37 0.18 0.00 -0.26 0.00 0.00 58.87 56.30 1ibq n SER 185 Cb 0.46 -0.53 0.53 0.00 -0.26 0.00 0.00 64.21 64.41 1ibq n SER 185 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ibq h SER 186 N 3.40 0.35 -0.45 4.04 0.87 -1.92 0.25 113.55 120.10 1ibq h SER 186 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ibq h SER 186 Cb 1.25 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1ibq h SER 186 CO 0.20 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.66 1ibq n GLN 187 N -4.47 3.02 -0.54 2.24 6.02 -1.26 -4.93 117.38 117.45 1ibq n GLN 187 Ca 0.16 -2.42 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 1ibq n GLN 187 Cb 0.62 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 0.65 0.77 3.84 1.08 0.00 0.08 -4.97 105.19 106.63 1ibq n GLY 188 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.95 2.71 -1.29 1.61 2.02 -1.26 -1.42 117.35 116.76 1ibq s TYR 189 Ca 0.00 -0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 1ibq s TYR 189 Cb 0.00 -2.05 0.13 0.00 -0.40 0.00 0.00 41.96 39.63 1ibq s TYR 189 CO 0.00 0.00 1.77 0.91 -1.57 0.00 0.00 175.55 176.67 1ibq n TRP 190 N -1.44 4.03 -2.10 2.71 7.02 -1.26 -4.06 117.44 122.35 1ibq n TRP 190 Ca 0.02 -3.02 -0.30 0.00 -1.02 0.00 0.00 57.50 53.18 1ibq n TRP 190 Cb 0.62 -2.27 0.00 0.00 -2.42 0.00 0.00 31.31 27.24 1ibq n TRP 190 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1ibq s GLY 191 N 2.55 1.68 0.15 6.99 0.00 -0.91 -2.05 107.32 115.74 1ibq s GLY 191 Ca 0.45 -0.14 -0.24 0.00 0.00 0.00 0.00 44.72 44.78 1ibq s GLY 191 CO 0.00 0.11 0.82 -0.11 0.00 0.00 0.00 173.10 173.92 1ibq s PHE 192 N -3.01 -0.26 -0.37 1.90 -0.71 0.56 -0.55 117.98 115.53 1ibq s PHE 192 Ca 0.54 -0.03 0.03 0.00 -1.04 0.00 0.00 56.93 56.43 1ibq s PHE 192 Cb -0.11 0.62 0.11 0.00 -1.21 0.00 0.00 43.02 42.43 1ibq s PHE 192 CO 0.49 -0.88 0.11 -1.12 -1.34 0.00 0.00 175.22 172.48 1ibq s SER 193 N -2.81 4.49 0.35 1.98 0.01 -1.26 -1.08 113.70 115.38 1ibq s SER 193 Ca 0.08 -2.26 -0.28 0.00 1.31 0.00 0.00 55.95 54.80 1ibq s SER 193 Cb -0.02 -1.47 -0.11 0.00 0.21 0.00 0.00 66.02 64.63 1ibq s SER 193 CO -0.02 -0.35 1.40 0.42 0.41 0.00 0.00 173.24 175.10 1ibq s THR 194 N 0.77 2.38 -0.51 1.44 -4.23 -1.08 -4.89 115.64 109.51 1ibq s THR 194 Ca 0.12 0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.27 1ibq s THR 194 Cb -0.20 -3.24 0.31 0.00 1.34 0.00 0.00 72.50 70.70 1ibq s THR 194 CO -0.09 0.09 1.75 0.44 -0.54 0.00 0.00 174.62 176.27 1ibq h ASP 195 N 3.26 0.00 0.00 3.99 5.19 -1.55 -2.55 116.42 124.76 1ibq h ASP 195 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1ibq h ASP 195 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1ibq h ASP 195 CO 0.65 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 1ibq n GLY 196 N 0.85 -1.09 3.48 2.75 0.00 -1.22 -2.73 105.19 107.22 1ibq n GLY 196 Ca 0.04 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.00 0.45 -0.12 1.61 1.13 -1.15 -2.13 117.35 114.14 1ibq s TYR 197 Ca 0.00 -0.79 -0.05 0.00 -1.41 0.00 0.00 57.07 54.81 1ibq s TYR 197 Cb 0.00 0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.96 1ibq s TYR 197 CO 0.00 -0.88 0.27 0.45 -2.51 0.00 0.00 175.55 172.88 1ibq s SER 198 N -3.02 -0.02 -0.20 -0.18 0.15 0.44 0.12 113.70 111.00 1ibq s SER 198 Ca 0.23 0.59 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 1ibq s SER 198 Cb 0.01 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1ibq s SER 198 CO 0.07 -0.20 0.50 -0.63 1.20 0.00 0.00 173.24 174.17 1ibq s ILE 199 N 1.79 5.13 0.00 6.45 1.01 -1.26 -0.80 121.20 133.51 1ibq s ILE 199 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1ibq s ILE 199 Cb -0.11 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1ibq s ILE 199 CO -0.09 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1ibq n GLY 200 N 3.87 3.13 0.97 6.18 0.00 0.78 0.19 105.19 120.31 1ibq n GLY 200 Ca -0.05 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 3.60 2.85 -3.29 1.61 8.00 -1.26 -4.83 116.55 123.22 1ibq n ASP 201 Ca 0.00 -1.94 -0.23 0.00 0.71 0.00 0.00 54.79 53.33 1ibq n ASP 201 Cb 0.00 -0.29 0.22 0.00 -0.02 0.00 0.00 41.12 41.03 1ibq n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibq n GLY 202 N 1.37 -3.18 3.77 0.44 0.00 0.13 -4.96 105.19 102.75 1ibq n GLY 202 Ca 0.18 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1ibq n GLY 202 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ibq s SER 203 N -2.61 6.57 0.63 1.61 0.01 -1.26 -4.75 113.70 113.89 1ibq s SER 203 Ca 0.49 0.67 -0.18 0.00 1.31 0.00 0.00 55.95 58.25 1ibq s SER 203 Cb -0.09 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1ibq s SER 203 CO 0.41 0.17 0.86 -0.24 0.41 0.00 0.00 173.24 174.86 1ibq n SER 204 N 2.98 0.28 -4.50 2.44 2.88 -1.26 -4.75 113.62 111.68 1ibq n SER 204 Ca -0.12 0.75 -0.42 0.00 -1.33 0.00 0.00 58.87 57.74 1ibq n SER 204 Cb 0.52 -1.35 -0.09 0.00 -0.75 0.00 0.00 64.21 62.55 1ibq n SER 204 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ibq s SER 205 N -1.33 6.20 0.39 -3.46 0.15 0.33 -4.93 113.70 111.05 1ibq s SER 205 Ca 0.74 -0.53 0.10 0.00 0.70 0.00 0.00 55.95 56.96 1ibq s SER 205 Cb -0.40 -2.22 0.88 0.00 -1.71 0.00 0.00 66.02 62.57 1ibq s SER 205 CO 0.49 -0.52 1.92 0.28 1.20 0.00 0.00 173.24 176.62 1ibq h SER 206 N 8.65 0.55 -1.68 5.45 0.02 -1.87 -3.04 113.55 121.63 1ibq h SER 206 Ca -0.27 0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 60.07 1ibq h SER 206 Cb 1.12 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1ibq h SER 206 CO 0.77 0.31 1.30 -0.24 -1.14 0.00 0.00 176.83 177.83 1ibq n SER 207 N -4.50 2.93 -2.47 3.07 2.88 -1.26 -4.32 113.62 109.95 1ibq n SER 207 Ca 0.14 0.59 -0.05 0.00 -1.33 0.00 0.00 58.87 58.22 1ibq n SER 207 Cb 0.40 -1.37 0.03 0.00 -0.75 0.00 0.00 64.21 62.51 1ibq n SER 207 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ibq n GLY 208 N 5.48 0.37 3.49 0.46 0.00 -1.11 -4.15 105.19 109.73 1ibq n GLY 208 Ca 0.31 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1ibq n GLY 208 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ibq s PHE 209 N -0.63 -0.37 -0.18 1.61 -0.12 -0.96 -4.90 117.98 112.42 1ibq s PHE 209 Ca 0.13 0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 57.09 1ibq s PHE 209 Cb -0.01 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1ibq s PHE 209 CO 0.09 -0.59 0.36 -1.54 -0.05 0.00 0.00 175.22 173.49 1ibq s SER 210 N -2.52 6.44 0.06 1.98 1.04 -1.26 -2.64 113.70 116.81 1ibq s SER 210 Ca 0.04 0.52 0.01 0.00 0.48 0.00 0.00 55.95 57.01 1ibq s SER 210 Cb -0.01 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 1ibq s SER 210 CO -0.10 -0.00 -0.06 0.00 0.98 0.00 0.00 173.24 174.06 1ibq s ALA 211 N 0.96 0.68 0.11 5.32 0.00 -0.24 -4.10 121.76 124.49 1ibq s ALA 211 Ca 0.18 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1ibq s ALA 211 Cb -0.14 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1ibq s ALA 211 CO 0.07 -0.16 -0.15 0.96 0.00 0.00 0.00 175.76 176.48 1ibq s ILE 212 N -2.56 3.06 -0.51 0.00 -4.36 -1.01 -0.32 121.20 115.49 1ibq s ILE 212 Ca -0.00 -1.40 -0.20 0.00 -0.26 0.00 0.00 60.65 58.79 1ibq s ILE 212 Cb -0.02 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.33 1ibq s ILE 212 CO -0.03 0.11 0.66 0.00 0.24 0.00 0.00 174.94 175.91 1ibq s ALA 213 N -1.17 3.36 -0.34 2.27 0.00 -0.87 -1.62 121.76 123.40 1ibq s ALA 213 Ca 0.19 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.51 1ibq s ALA 213 Cb -0.11 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.72 1ibq s ALA 213 CO 0.12 -2.04 0.05 0.34 0.00 0.00 0.00 175.76 174.23 1ibq s ASP 214 N 2.69 4.70 0.51 0.00 2.15 -1.19 -4.53 116.67 121.00 1ibq s ASP 214 Ca 0.17 -2.11 0.20 0.00 0.43 0.00 0.00 52.55 51.24 1ibq s ASP 214 Cb -0.18 -1.56 1.33 0.00 -0.30 0.00 0.00 42.92 42.21 1ibq s ASP 214 CO 0.13 -0.38 2.11 0.71 -0.17 0.00 0.00 175.17 177.56 1ibq h THR 215 N 6.60 0.87 0.00 1.71 1.35 -1.85 -2.23 112.91 119.36 1ibq h THR 215 Ca -0.05 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1ibq h THR 215 Cb 1.02 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1ibq h THR 215 CO 0.52 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1ibq n GLY 216 N -1.17 -0.69 3.36 5.82 0.00 -1.25 -4.50 105.19 106.76 1ibq n GLY 216 Ca -0.03 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.16 2.85 0.08 2.61 2.01 -0.84 -5.02 115.64 115.16 1ibq s THR 217 Ca 0.26 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.34 1ibq s THR 217 Cb 0.13 -2.16 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 1ibq s THR 217 CO 0.24 0.54 1.41 0.74 -0.69 0.00 0.00 174.62 176.87 1ibq h THR 218 N 5.27 1.31 -6.18 -0.82 2.02 -1.83 1.24 112.91 113.92 1ibq h THR 218 Ca -0.28 -1.31 -0.55 0.00 0.77 0.00 0.00 66.41 65.04 1ibq h THR 218 Cb 1.21 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1ibq h THR 218 CO 0.53 0.41 -0.20 0.18 0.37 0.00 0.00 175.52 176.81 1ibq n LEU 219 N -4.42 0.00 -4.37 2.58 4.77 -1.26 -0.74 117.00 113.56 1ibq n LEU 219 Ca -0.04 -2.78 -0.42 0.00 -0.03 0.00 0.00 56.01 52.73 1ibq n LEU 219 Cb 0.39 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1ibq n LEU 219 CO 0.42 -0.64 -0.05 -0.63 -1.33 0.00 0.00 177.39 175.15 1ibq s ILE 220 N -2.74 4.87 -0.42 -0.08 1.01 -0.68 -1.40 121.20 121.77 1ibq s ILE 220 Ca 0.43 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1ibq s ILE 220 Cb -0.03 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ibq s ILE 220 CO 0.28 -0.46 0.31 -0.76 0.00 0.00 0.00 174.94 174.31 1ibq s LEU 221 N 1.58 5.19 0.49 2.97 1.43 0.14 -2.14 118.68 128.33 1ibq s LEU 221 Ca 0.04 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1ibq s LEU 221 Cb -0.22 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1ibq s LEU 221 CO 0.06 -0.50 0.02 -0.76 0.23 0.00 0.00 176.35 175.41 1ibq s LEU 222 N 1.64 2.45 0.40 1.79 1.43 -1.06 0.15 118.68 125.48 1ibq s LEU 222 Ca 0.04 -1.57 -0.26 0.00 -1.03 0.00 0.00 54.13 51.32 1ibq s LEU 222 Cb -0.21 -0.80 -0.08 0.00 0.03 0.00 0.00 46.19 45.13 1ibq s LEU 222 CO 0.08 -0.77 1.24 -1.81 0.23 0.00 0.00 176.35 175.32 1ibq s ASP 223 N -3.86 6.40 0.36 2.29 -0.00 -1.26 -1.20 116.67 119.40 1ibq s ASP 223 Ca 0.14 2.52 0.13 0.00 -0.00 0.00 0.00 52.55 55.33 1ibq s ASP 223 Cb 0.03 -2.63 0.95 0.00 -0.00 0.00 0.00 42.92 41.27 1ibq s ASP 223 CO 0.07 -0.78 1.79 0.44 -0.00 0.00 0.00 175.17 176.69 1ibq h ASP 224 N 2.66 0.58 -0.35 0.27 3.45 -1.97 0.86 116.42 121.91 1ibq h ASP 224 Ca -0.49 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.05 1ibq h ASP 224 Cb 1.24 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.98 1ibq h ASP 224 CO 0.62 0.17 0.23 -0.33 -1.57 0.00 0.00 179.24 178.37 1ibq h GLU 225 N 0.55 0.48 0.08 3.56 3.07 -1.99 -0.31 114.58 120.01 1ibq h GLU 225 Ca 0.57 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.28 1ibq h GLU 225 Cb 1.19 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1ibq h GLU 225 CO -0.32 0.33 -0.50 0.82 -1.40 0.00 0.00 179.01 177.93 1ibq h ILE 226 N 0.49 1.61 -0.28 3.13 1.08 -1.21 -3.05 117.51 119.28 1ibq h ILE 226 Ca 0.13 -2.45 0.07 0.00 -0.39 0.00 0.00 64.86 62.21 1ibq h ILE 226 Cb -0.04 3.26 -0.07 0.00 -3.07 0.00 0.00 36.82 36.90 1ibq h ILE 226 CO -0.03 0.67 -0.22 0.58 -0.69 0.00 0.00 178.15 178.46 1ibq h VAL 227 N -0.64 0.42 -0.86 1.67 2.07 -1.15 -0.29 116.25 117.47 1ibq h VAL 227 Ca -0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.57 1ibq h VAL 227 Cb 1.38 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1ibq h VAL 227 CO 0.08 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.51 1ibq h SER 228 N -0.21 0.62 0.56 0.57 0.02 -1.18 -0.61 113.55 113.32 1ibq h SER 228 Ca 0.15 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 1ibq h SER 228 Cb 0.44 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1ibq h SER 228 CO -0.40 0.32 -0.71 0.00 -1.14 0.00 0.00 176.83 174.90 1ibq h ALA 229 N 1.60 0.77 0.33 3.77 0.00 -1.10 -2.92 119.26 121.71 1ibq h ALA 229 Ca 0.43 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ibq h ALA 229 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ibq h ALA 229 CO -0.19 0.84 -0.16 -0.92 0.00 0.00 0.00 179.25 178.82 1ibq h TYR 230 N 0.08 -0.41 0.00 0.00 3.20 0.34 -3.26 116.97 116.92 1ibq h TYR 230 Ca -0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ibq h TYR 230 Cb 1.26 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1ibq h TYR 230 CO 0.01 -0.25 0.01 1.88 -1.64 0.00 0.00 178.16 178.17 1ibq h TYR 231 N -0.71 0.00 0.00 -3.82 0.05 -1.33 0.19 116.97 111.34 1ibq h TYR 231 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1ibq h TYR 231 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1ibq h TYR 231 CO 0.05 0.00 0.00 1.49 -1.05 0.00 0.00 178.16 178.65 1ibq h GLU 232 N 0.00 0.00 -0.04 4.88 4.57 -1.55 0.11 114.58 122.55 1ibq h GLU 232 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ibq h GLU 232 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1ibq h GLU 232 CO 0.00 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 178.87 1ibq n GLN 233 N -3.00 2.26 -3.64 1.92 1.13 0.67 -4.83 117.38 111.90 1ibq n GLN 233 Ca -0.02 -1.83 -0.40 0.00 -1.94 0.00 0.00 57.00 52.81 1ibq n GLN 233 Cb 0.11 -1.46 -0.11 0.00 0.11 0.00 0.00 30.24 28.89 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 -1.98 4.27 0.15 5.09 1.01 0.40 -4.82 120.40 124.52 1ibq s VAL 234 Ca 0.30 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 1ibq s VAL 234 Cb 0.20 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 1ibq s VAL 234 CO 0.30 -0.32 1.71 -0.44 0.00 0.00 0.00 175.10 176.36 1ibq s SER 235 N 1.70 6.47 0.00 3.32 0.01 -1.26 -2.08 113.70 121.85 1ibq s SER 235 Ca 0.01 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.00 1ibq s SER 235 Cb -0.21 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1ibq s SER 235 CO 0.04 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.36 1ibq n GLY 236 N 4.01 0.85 3.77 3.44 0.00 -1.26 -4.65 105.19 111.34 1ibq n GLY 236 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.37 3.01 -0.05 4.61 0.00 -0.89 -4.73 121.76 120.36 1ibq s ALA 237 Ca 0.00 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 1ibq s ALA 237 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1ibq s ALA 237 CO 0.00 -0.81 0.22 -1.14 0.00 0.00 0.00 175.76 174.04 1ibq s GLN 238 N -2.61 0.41 -0.95 0.00 2.00 -0.86 -4.96 119.66 112.68 1ibq s GLN 238 Ca 0.63 0.02 -0.10 0.00 -2.00 0.00 0.00 55.36 53.91 1ibq s GLN 238 Cb -0.33 0.18 -0.08 0.00 0.80 0.00 0.00 33.01 33.59 1ibq s GLN 238 CO 0.40 -0.08 2.12 -1.91 -0.50 0.00 0.00 175.29 175.32 1ibq n GLU 239 N 2.21 2.08 -1.66 1.67 2.13 -1.26 -1.52 120.64 124.28 1ibq n GLU 239 Ca -0.17 -1.65 -0.16 0.00 0.66 0.00 0.00 57.16 55.84 1ibq n GLU 239 Cb 0.57 -2.63 -0.07 0.00 0.27 0.00 0.00 31.44 29.59 1ibq n GLU 239 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ibq s SER 240 N 3.71 4.09 1.25 4.31 0.15 -1.04 -4.89 113.70 121.30 1ibq s SER 240 Ca 0.46 -0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.83 1ibq s SER 240 Cb 0.12 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.19 1ibq s SER 240 CO -0.00 -3.72 0.99 -0.47 1.20 0.00 0.00 173.24 171.24 1ibq s TYR 241 N 14.05 0.83 -1.53 3.44 5.04 -1.26 -3.07 117.35 134.85 1ibq s TYR 241 Ca 0.88 1.02 -0.05 0.00 -2.44 0.00 0.00 57.07 56.48 1ibq s TYR 241 Cb -0.11 -3.02 0.01 0.00 0.35 0.00 0.00 41.96 39.19 1ibq s TYR 241 CO 0.07 -4.27 0.49 -1.91 -1.34 0.00 0.00 175.55 168.59 1ibq n GLU 242 N -5.19 -4.19 0.00 4.97 2.13 -1.26 -4.60 120.64 112.50 1ibq n GLU 242 Ca 0.05 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1ibq n GLU 242 Cb 0.56 -5.66 0.00 0.00 0.27 0.00 0.00 31.44 26.61 1ibq n GLU 242 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ibq n ALA 243 N -3.31 0.00 0.00 4.31 0.00 -1.17 -5.08 120.51 115.26 1ibq n ALA 243 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ibq n ALA 243 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 2.43 0.00 0.00 0.00 -1.23 -5.00 105.19 101.40 1ibq n GLY 244 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 4.14 3.77 -0.02 0.00 -1.26 -4.89 105.19 106.95 1ibq n GLY 245 Ca 0.00 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 0.13 3.05 0.10 1.61 2.02 -1.26 -2.48 117.35 120.51 1ibq s TYR 246 Ca 0.00 1.58 0.01 0.00 -0.37 0.00 0.00 57.07 58.29 1ibq s TYR 246 Cb 0.00 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 1ibq s TYR 246 CO 0.00 -1.15 -0.04 0.14 -1.57 0.00 0.00 175.55 172.93 1ibq s VAL 247 N -1.56 0.52 0.28 0.71 -7.23 -0.58 -2.73 120.40 109.81 1ibq s VAL 247 Ca 0.60 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 1ibq s VAL 247 Cb -0.27 -1.71 0.05 0.00 0.56 0.00 0.00 36.38 35.01 1ibq s VAL 247 CO 0.33 -0.84 0.83 0.72 -0.31 0.00 0.00 175.10 175.83 1ibq s PHE 248 N -3.74 -0.04 0.24 2.82 -0.12 -0.54 -2.04 117.98 114.56 1ibq s PHE 248 Ca 0.13 -0.46 -0.31 0.00 -0.05 0.00 0.00 56.93 56.23 1ibq s PHE 248 Cb 0.06 0.74 -0.12 0.00 -0.63 0.00 0.00 43.02 43.08 1ibq s PHE 248 CO -0.05 -1.24 1.68 0.45 -0.05 0.00 0.00 175.22 176.02 1ibq s SER 249 N -3.04 6.37 0.46 1.98 0.15 -1.26 -0.10 113.70 118.26 1ibq s SER 249 Ca 0.14 2.90 0.17 0.00 0.70 0.00 0.00 55.95 59.86 1ibq s SER 249 Cb -0.04 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 62.79 1ibq s SER 249 CO 0.07 -0.96 2.00 0.00 1.20 0.00 0.00 173.24 175.55 1ibq h SER 251 N 0.28 0.00 -3.68 0.00 4.64 -1.88 -3.43 113.55 109.47 1ibq h SER 251 Ca 0.25 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.06 1ibq h SER 251 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1ibq h SER 251 CO -0.05 0.05 0.47 0.42 -0.87 0.00 0.00 176.83 176.85 1ibq s THR 252 N -3.72 3.70 -0.34 2.95 -4.23 0.14 -5.02 115.64 109.12 1ibq s THR 252 Ca 0.00 1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 62.00 1ibq s THR 252 Cb 0.10 -4.01 0.02 0.00 1.34 0.00 0.00 72.50 69.94 1ibq s THR 252 CO 0.56 0.33 0.16 -0.62 -0.54 0.00 0.00 174.62 174.51 1ibq s ASP 253 N -0.52 5.56 0.60 3.99 2.15 -1.26 -4.94 116.67 122.24 1ibq s ASP 253 Ca 0.47 -0.85 -0.11 0.00 0.43 0.00 0.00 52.55 52.49 1ibq s ASP 253 Cb -0.30 -1.98 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1ibq s ASP 253 CO 0.37 -0.30 1.00 -1.48 -0.17 0.00 0.00 175.17 174.59 1ibq s LEU 254 N 1.54 3.31 0.65 -1.34 2.34 -1.26 -5.03 118.68 118.90 1ibq s LEU 254 Ca 0.02 1.39 -0.11 0.00 0.06 0.00 0.00 54.13 55.49 1ibq s LEU 254 Cb -0.18 -4.42 -0.02 0.00 -0.56 0.00 0.00 46.19 41.01 1ibq s LEU 254 CO 0.06 -0.81 1.04 -2.16 -1.06 0.00 0.00 176.35 173.42 1ibq s PRO 255 N -5.02 3.29 0.78 1.48 0.04 -1.26 -4.00 135.00 130.32 1ibq s PRO 255 Ca 0.55 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 1ibq s PRO 255 Cb -0.11 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1ibq s PRO 255 CO 0.51 -0.81 1.12 -0.51 0.04 0.00 0.00 177.00 177.35 1ibq s ASP 256 N -3.96 4.17 -0.25 6.66 1.01 -1.26 -4.07 116.67 118.98 1ibq s ASP 256 Ca 0.57 2.02 0.02 0.00 0.71 0.00 0.00 52.55 55.87 1ibq s ASP 256 Cb -0.12 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.31 1ibq s ASP 256 CO 0.54 -2.26 -0.12 0.12 0.21 0.00 0.00 175.17 173.65 1ibq s PHE 257 N -2.61 3.17 -0.15 4.23 5.36 -0.36 -0.16 117.98 127.47 1ibq s PHE 257 Ca 0.65 -2.15 -0.10 0.00 -0.96 0.00 0.00 56.93 54.37 1ibq s PHE 257 Cb -0.21 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 1ibq s PHE 257 CO 0.52 -0.86 0.18 0.99 -1.46 0.00 0.00 175.22 174.60 1ibq s THR 258 N 1.15 5.40 -0.34 0.12 2.01 0.02 -1.21 115.64 122.79 1ibq s THR 258 Ca -0.06 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 1ibq s THR 258 Cb -0.19 -3.49 0.06 0.00 0.01 0.00 0.00 72.50 68.90 1ibq s THR 258 CO -0.06 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 173.78 1ibq s VAL 259 N -0.29 3.44 -0.18 3.82 1.01 -0.65 -0.42 120.40 127.12 1ibq s VAL 259 Ca 0.13 -1.39 -0.25 0.00 0.00 0.00 0.00 61.98 60.47 1ibq s VAL 259 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1ibq s VAL 259 CO 0.03 -0.26 0.84 -0.69 0.00 0.00 0.00 175.10 175.02 1ibq s VAL 260 N 1.31 4.87 -0.41 2.92 1.01 -0.91 -1.69 120.40 127.49 1ibq s VAL 260 Ca -0.01 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.64 1ibq s VAL 260 Cb -0.20 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.15 1ibq s VAL 260 CO 0.00 0.01 0.17 -0.63 0.00 0.00 0.00 175.10 174.65 1ibq s ILE 261 N 2.27 1.87 0.00 2.22 1.01 0.03 -1.40 121.20 127.20 1ibq s ILE 261 Ca 0.38 -2.50 0.00 0.00 0.00 0.00 0.00 60.65 58.53 1ibq s ILE 261 Cb -0.16 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1ibq s ILE 261 CO 0.12 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.92 1ibq n GLY 262 N 3.86 2.53 0.85 6.18 0.00 -1.26 -1.05 105.19 116.30 1ibq n GLY 262 Ca 0.04 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1ibq n GLY 262 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ibq n ASP 263 N 10.20 2.81 -4.83 1.61 5.75 -1.26 -4.97 116.55 125.86 1ibq n ASP 263 Ca 0.00 -1.86 -0.37 0.00 -0.01 0.00 0.00 54.79 52.55 1ibq n ASP 263 Cb 0.00 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1ibq n ASP 263 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1ibq s TYR 264 N -1.59 3.69 -0.33 2.11 5.04 -0.21 -5.06 117.35 120.99 1ibq s TYR 264 Ca 0.26 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 55.94 1ibq s TYR 264 Cb 0.17 -2.37 0.06 0.00 0.35 0.00 0.00 41.96 40.17 1ibq s TYR 264 CO 0.26 0.53 0.06 0.15 -1.34 0.00 0.00 175.55 175.20 1ibq s LYS 265 N -1.54 2.42 -0.92 4.97 1.02 -1.26 -0.79 119.74 123.64 1ibq s LYS 265 Ca 0.32 -1.33 -0.21 0.00 0.02 0.00 0.00 55.97 54.78 1ibq s LYS 265 Cb -0.17 -3.32 0.10 0.00 -0.52 0.00 0.00 37.83 33.93 1ibq s LYS 265 CO 0.18 -0.70 1.21 0.00 -0.92 0.00 0.00 175.35 175.12 1ibq s ALA 266 N 1.28 3.13 -0.34 5.17 0.00 -0.68 -4.95 121.76 125.36 1ibq s ALA 266 Ca -0.02 -2.48 -0.21 0.00 0.00 0.00 0.00 51.96 49.24 1ibq s ALA 266 Cb -0.20 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1ibq s ALA 266 CO -0.00 -3.16 0.68 0.08 0.00 0.00 0.00 175.76 173.36 1ibq s VAL 267 N 3.59 4.86 -0.41 0.00 1.01 -1.26 -1.64 120.40 126.55 1ibq s VAL 267 Ca 0.36 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 1ibq s VAL 267 Cb -0.05 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1ibq s VAL 267 CO -0.07 -0.30 0.91 -0.69 0.00 0.00 0.00 175.10 174.95 1ibq s VAL 268 N 2.79 4.55 0.36 2.92 1.01 -0.35 -4.93 120.40 126.75 1ibq s VAL 268 Ca 0.27 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 62.92 1ibq s VAL 268 Cb -0.14 -4.36 -0.12 0.00 0.00 0.00 0.00 36.38 31.76 1ibq s VAL 268 CO 0.14 -0.66 1.23 -2.65 0.00 0.00 0.00 175.10 173.17 1ibq n PRO 269 N 6.90 1.94 -0.06 2.72 -0.02 -1.26 -1.22 135.00 144.00 1ibq n PRO 269 Ca 0.06 0.68 0.18 0.00 -2.02 0.00 0.00 63.50 62.40 1ibq n PRO 269 Cb 0.48 -2.26 0.62 0.00 -0.02 0.00 0.00 33.50 32.32 1ibq n PRO 269 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ibq h GLY 270 N 2.31 0.27 1.69 -1.23 0.00 -1.71 -1.32 103.07 103.08 1ibq h GLY 270 Ca -0.45 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 46.84 1ibq h GLY 270 CO 0.61 0.03 0.12 1.70 0.00 0.00 0.00 176.54 179.00 1ibq h LYS 271 N 0.16 0.07 0.00 4.80 3.64 -1.89 -1.37 116.57 121.98 1ibq h LYS 271 Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1ibq h LYS 271 Cb 0.93 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1ibq h LYS 271 CO -0.04 0.04 -0.36 1.88 -2.27 0.00 0.00 179.45 178.70 1ibq h TYR 272 N 0.07 0.00 -0.00 1.91 0.99 -1.59 -3.20 116.97 115.15 1ibq h TYR 272 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1ibq h TYR 272 Cb 0.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.97 1ibq h TYR 272 CO -0.00 0.00 -0.18 -0.89 -0.00 0.00 0.00 178.16 177.09 1ibq n ILE 273 N -2.49 0.00 -2.43 -2.88 5.41 -0.52 -3.81 119.36 112.64 1ibq n ILE 273 Ca 0.04 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.30 1ibq n ILE 273 Cb 0.48 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1ibq n ILE 273 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1ibq n ASN 274 N -1.04 5.06 0.00 4.38 2.85 -1.17 0.13 115.26 125.46 1ibq n ASN 274 Ca 0.12 -3.07 0.00 0.00 -0.11 0.00 0.00 54.58 51.52 1ibq n ASN 274 Cb 0.30 -1.51 0.00 0.00 1.24 0.00 0.00 39.78 39.82 1ibq n ASN 274 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ibq n TYR 275 N 4.37 0.00 -3.59 1.20 9.36 -0.56 -4.92 117.16 123.02 1ibq n TYR 275 Ca 0.40 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.56 1ibq n TYR 275 Cb 0.38 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.07 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 -2.54 -1.79 0.35 2.98 0.00 -1.09 -4.95 121.76 114.72 1ibq s ALA 276 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1ibq s ALA 276 Cb 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 23.12 23.48 1ibq s ALA 276 CO 0.00 -0.81 1.54 -2.14 0.00 0.00 0.00 175.76 174.35 1ibq s PRO 277 N -3.13 4.10 0.34 0.00 0.02 -1.26 0.45 135.00 135.51 1ibq s PRO 277 Ca 0.08 2.60 0.25 0.00 0.02 0.00 0.00 61.00 63.94 1ibq s PRO 277 Cb -0.01 -2.98 1.21 0.00 0.02 0.00 0.00 34.50 32.74 1ibq s PRO 277 CO -0.05 -0.59 1.75 -0.39 -0.33 0.00 0.00 177.00 177.38 1ibq h VAL 278 N 3.11 0.00 -2.71 3.83 -1.51 -1.90 -3.44 116.25 113.63 1ibq h VAL 278 Ca -0.50 -0.11 -0.04 0.00 -1.23 0.00 0.00 66.70 64.83 1ibq h VAL 278 Cb 1.23 0.74 -0.15 0.00 -2.13 0.00 0.00 31.29 30.98 1ibq h VAL 278 CO 0.69 0.00 0.15 -0.44 -1.23 0.00 0.00 177.57 176.74 1ibq s SER 279 N -4.27 -0.55 -0.06 4.19 0.01 -1.26 -5.05 113.70 106.71 1ibq s SER 279 Ca -0.00 0.21 -0.35 0.00 1.31 0.00 0.00 55.95 57.12 1ibq s SER 279 Cb 0.08 0.55 -0.13 0.00 0.21 0.00 0.00 66.02 66.73 1ibq s SER 279 CO 0.30 -0.81 1.76 1.07 0.41 0.00 0.00 173.24 175.96 1ibq n THR 280 N 0.15 0.37 -1.02 1.44 5.66 -1.26 -0.01 114.28 119.62 1ibq n THR 280 Ca -0.18 -0.07 -0.01 0.00 -3.05 0.00 0.00 64.05 60.75 1ibq n THR 280 Cb 0.62 -1.61 -0.00 0.00 -1.55 0.00 0.00 70.33 67.78 1ibq n THR 280 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ibq n GLY 281 N 4.03 0.27 3.69 1.09 0.00 -1.26 -4.97 105.19 108.03 1ibq n GLY 281 Ca 0.22 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.04 3.35 0.01 1.61 0.15 0.99 -4.94 113.70 112.83 1ibq s SER 282 Ca 0.00 2.31 0.04 0.00 0.70 0.00 0.00 55.95 59.00 1ibq s SER 282 Cb 0.00 -2.58 -0.25 0.00 -1.71 0.00 0.00 66.02 61.48 1ibq s SER 282 CO 0.00 -2.83 0.86 0.77 1.20 0.00 0.00 173.24 173.24 1ibq h SER 283 N -1.24 0.19 -2.61 5.45 4.64 -1.93 -3.47 113.55 114.57 1ibq h SER 283 Ca -0.45 -0.28 -0.47 0.00 -0.47 0.00 0.00 61.79 60.12 1ibq h SER 283 Cb 1.29 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1ibq h SER 283 CO 0.44 1.24 -0.25 0.42 -0.87 0.00 0.00 176.83 177.82 1ibq s THR 284 N -2.63 5.01 -0.02 2.95 -4.23 -1.26 -2.62 115.64 112.84 1ibq s THR 284 Ca -0.06 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1ibq s THR 284 Cb 0.08 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1ibq s THR 284 CO 0.83 -0.47 -0.15 0.00 -0.54 0.00 0.00 174.62 174.30 1ibq s TYR 286 N -0.18 3.86 0.38 0.00 5.04 0.17 -1.47 117.35 125.15 1ibq s TYR 286 Ca 0.02 1.75 -0.24 0.00 -2.44 0.00 0.00 57.07 56.16 1ibq s TYR 286 Cb -0.07 -2.95 -0.10 0.00 0.35 0.00 0.00 41.96 39.18 1ibq s TYR 286 CO 0.00 0.33 0.95 0.20 -1.34 0.00 0.00 175.55 175.69 1ibq s GLY 287 N -0.49 2.60 0.47 8.97 0.00 -1.11 -1.50 107.32 116.26 1ibq s GLY 287 Ca 0.42 0.47 0.28 0.00 0.00 0.00 0.00 44.72 45.89 1ibq s GLY 287 CO 0.29 0.83 1.79 -1.33 0.00 0.00 0.00 173.10 174.68 1ibq h GLY 288 N 2.53 0.00 -6.79 0.20 0.00 0.79 -3.43 103.07 96.37 1ibq h GLY 288 Ca -0.48 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.20 1ibq h GLY 288 CO 0.63 0.00 -0.70 -0.42 0.00 0.00 0.00 176.54 176.05 1ibq s ILE 289 N -3.41 3.63 0.05 2.60 1.01 -1.26 -1.68 121.20 122.13 1ibq s ILE 289 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1ibq s ILE 289 Cb 0.07 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 1ibq s ILE 289 CO 0.60 0.41 0.01 0.00 0.00 0.00 0.00 174.94 175.96 1ibq n GLN 290 N 4.66 1.05 -3.52 2.79 1.13 -0.91 -4.78 117.38 117.80 1ibq n GLN 290 Ca -0.18 -0.38 -0.35 0.00 -1.94 0.00 0.00 57.00 54.15 1ibq n GLN 290 Cb 0.51 0.19 -0.06 0.00 0.11 0.00 0.00 30.24 31.00 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 -1.28 6.70 0.00 1.08 0.15 -1.26 -2.56 113.70 116.53 1ibq s SER 291 Ca 0.02 0.87 0.21 0.00 0.70 0.00 0.00 55.95 57.75 1ibq s SER 291 Cb 0.00 -2.21 0.59 0.00 -1.71 0.00 0.00 66.02 62.69 1ibq s SER 291 CO 0.01 0.17 1.47 -0.46 1.20 0.00 0.00 173.24 175.63 1ibq n ASN 292 N 0.96 2.36 -4.68 5.45 2.04 -0.34 -4.73 115.26 116.32 1ibq n ASN 292 Ca -0.08 -1.85 -0.49 0.00 -0.44 0.00 0.00 54.58 51.73 1ibq n ASN 292 Cb 0.52 -0.18 -0.05 0.00 -2.53 0.00 0.00 39.78 37.54 1ibq n ASN 292 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1ibq n SER 293 N 0.78 3.32 0.00 0.53 7.64 -1.26 -1.08 113.62 123.54 1ibq n SER 293 Ca 0.17 0.99 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ibq n SER 293 Cb 0.43 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1ibq n SER 293 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ibq n GLY 294 N 4.27 1.56 0.00 0.23 0.00 -1.26 -4.86 105.19 105.13 1ibq n GLY 294 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ibq n GLY 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ibq n LEU 295 N 0.00 0.00 -0.35 0.99 4.77 -0.24 -5.00 117.00 117.16 1ibq n LEU 295 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1ibq n LEU 295 Cb 0.00 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ibq n LEU 295 CO 0.00 0.02 -0.04 0.61 -1.33 0.00 0.00 177.39 176.65 1ibq n GLY 296 N 2.64 0.51 2.94 -0.72 0.00 -1.08 -4.95 105.19 104.54 1ibq n GLY 296 Ca -0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.05 1.71 0.09 0.99 2.96 -1.26 -5.09 118.68 117.02 1ibq s LEU 297 Ca 0.00 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 1ibq s LEU 297 Cb 0.00 -0.39 -0.06 0.00 0.50 0.00 0.00 46.19 46.25 1ibq s LEU 297 CO 0.00 0.02 1.08 -0.44 -1.32 0.00 0.00 176.35 175.69 1ibq s SER 298 N 0.30 7.27 -0.06 3.68 0.01 -1.26 -4.84 113.70 118.81 1ibq s SER 298 Ca -0.04 1.91 0.03 0.00 1.31 0.00 0.00 55.95 59.16 1ibq s SER 298 Cb -0.08 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1ibq s SER 298 CO -0.00 -0.28 -0.12 -0.63 0.41 0.00 0.00 173.24 172.61 1ibq s ILE 299 N 0.51 1.13 -0.55 1.44 1.01 0.12 -2.42 121.20 122.44 1ibq s ILE 299 Ca 0.53 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1ibq s ILE 299 Cb -0.26 -1.02 0.14 0.00 0.01 0.00 0.00 42.46 41.33 1ibq s ILE 299 CO 0.31 0.35 0.44 -0.76 0.00 0.00 0.00 174.94 175.27 1ibq s LEU 300 N 0.52 5.87 0.00 2.97 1.43 -0.64 0.23 118.68 129.07 1ibq s LEU 300 Ca -0.12 -2.12 0.00 0.00 -1.03 0.00 0.00 54.13 50.86 1ibq s LEU 300 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1ibq s LEU 300 CO 0.03 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1ibq n GLY 301 N 4.65 0.77 0.35 -3.19 0.00 -0.49 -3.16 105.19 104.12 1ibq n GLY 301 Ca -0.04 -1.91 0.21 0.00 0.00 0.00 0.00 46.02 44.29 1ibq n GLY 301 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ibq h ASP 302 N 0.00 0.57 -0.65 1.61 3.32 0.17 0.20 116.42 121.64 1ibq h ASP 302 Ca 0.00 0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.29 1ibq h ASP 302 Cb 0.00 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1ibq h ASP 302 CO 0.00 -0.01 0.43 0.58 -1.72 0.00 0.00 179.24 178.52 1ibq h VAL 303 N 0.44 0.94 0.24 -1.35 2.07 -1.18 0.11 116.25 117.52 1ibq h VAL 303 Ca 0.69 -0.19 -0.32 0.00 0.82 0.00 0.00 66.70 67.69 1ibq h VAL 303 Cb 1.49 0.34 0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1ibq h VAL 303 CO -0.51 0.10 -1.45 0.15 0.02 0.00 0.00 177.57 175.87 1ibq h PHE 304 N 0.55 0.91 0.00 1.57 3.57 -0.93 -3.33 116.94 119.29 1ibq h PHE 304 Ca 0.29 -0.66 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1ibq h PHE 304 Cb 0.43 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1ibq h PHE 304 CO -0.00 1.56 0.00 -0.07 -2.23 0.00 0.00 178.31 177.57 1ibq h LEU 305 N 0.08 0.00 0.00 0.59 3.38 -0.80 -3.10 115.31 115.46 1ibq h LEU 305 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ibq h LEU 305 Cb 2.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1ibq h LEU 305 CO 0.25 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.07 1ibq n LYS 306 N -3.09 0.13 0.00 1.13 5.02 0.33 -2.26 118.16 119.43 1ibq n LYS 306 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1ibq n LYS 306 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.32 0.91 -4.41 4.39 3.41 -1.17 -4.62 113.62 110.82 1ibq n SER 307 Ca 0.05 -0.97 -0.23 0.00 -0.26 0.00 0.00 58.87 57.46 1ibq n SER 307 Cb 0.09 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.06 1.50 -0.39 4.33 -1.52 -0.96 -2.56 119.66 120.00 1ibq s GLN 308 Ca 0.00 -1.61 -0.13 0.00 -1.95 0.00 0.00 55.36 51.67 1ibq s GLN 308 Cb 0.00 -1.59 0.02 0.00 -0.22 0.00 0.00 33.01 31.22 1ibq s GLN 308 CO 0.00 0.31 0.26 -0.47 -0.25 0.00 0.00 175.29 175.13 1ibq s TYR 309 N -2.29 3.24 -0.12 0.91 5.04 0.47 -4.53 117.35 120.06 1ibq s TYR 309 Ca 0.24 -0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 54.14 1ibq s TYR 309 Cb -0.05 -2.52 -0.03 0.00 0.35 0.00 0.00 41.96 39.71 1ibq s TYR 309 CO 0.11 -0.59 -0.03 0.08 -1.34 0.00 0.00 175.55 173.78 1ibq s VAL 310 N 1.63 4.02 -0.20 3.14 1.01 -0.73 -2.53 120.40 126.74 1ibq s VAL 310 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1ibq s VAL 310 Cb -0.19 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1ibq s VAL 310 CO 0.09 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 175.06 1ibq s VAL 311 N -0.22 4.13 -0.46 2.92 1.01 0.38 -0.51 120.40 127.64 1ibq s VAL 311 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1ibq s VAL 311 Cb -0.13 -2.87 0.12 0.00 0.00 0.00 0.00 36.38 33.50 1ibq s VAL 311 CO 0.02 0.42 0.31 -0.36 0.00 0.00 0.00 175.10 175.50 1ibq s PHE 312 N 0.94 3.49 -0.31 5.22 0.40 -0.10 -0.09 117.98 127.53 1ibq s PHE 312 Ca 0.02 -2.09 -0.11 0.00 -0.60 0.00 0.00 56.93 54.15 1ibq s PHE 312 Cb -0.14 -3.41 -0.03 0.00 0.51 0.00 0.00 43.02 39.96 1ibq s PHE 312 CO 0.02 -0.98 0.18 1.21 0.70 0.00 0.00 175.22 176.35 1ibq s ASN 313 N 2.31 5.81 0.15 1.36 3.84 -0.14 -2.34 114.94 125.93 1ibq s ASN 313 Ca 0.07 -0.31 0.16 0.00 0.21 0.00 0.00 52.86 53.00 1ibq s ASN 313 Cb -0.25 -2.07 0.74 0.00 -0.55 0.00 0.00 41.25 39.12 1ibq s ASN 313 CO -0.02 -0.15 1.51 -1.54 -2.79 0.00 0.00 177.10 174.10 1ibq n SER 314 N 5.04 0.34 -4.48 -4.21 3.41 -0.79 -1.16 113.62 111.76 1ibq n SER 314 Ca -0.14 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 1ibq n SER 314 Cb 0.50 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 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 -3.22 3.20 0.00 4.33 2.02 -1.26 -4.24 118.70 119.53 1ibq s GLU 315 Ca 0.03 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1ibq s GLU 315 Cb 0.07 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.15 1ibq s GLU 315 CO 0.25 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.25 1ibq n GLY 316 N 5.25 2.22 3.89 -1.39 0.00 -1.26 -3.92 105.19 109.98 1ibq n GLY 316 Ca -0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 2.85 0.11 1.61 0.04 -1.26 -4.98 135.00 133.37 1ibq s PRO 317 Ca 0.00 0.42 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 1ibq s PRO 317 Cb 0.00 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1ibq s PRO 317 CO 0.00 -1.02 0.40 -1.59 0.04 0.00 0.00 177.00 174.82 1ibq s LYS 318 N -5.34 1.03 -0.06 4.56 -2.85 -0.31 -1.48 119.74 115.29 1ibq s LYS 318 Ca 0.58 -0.64 0.04 0.00 -1.00 0.00 0.00 55.97 54.94 1ibq s LYS 318 Cb -0.11 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 1ibq s LYS 318 CO 0.51 -0.39 -0.15 -0.51 0.10 0.00 0.00 175.35 174.91 1ibq s LEU 319 N -2.64 2.67 0.05 2.77 1.43 -0.31 -0.97 118.68 121.69 1ibq s LEU 319 Ca 0.01 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1ibq s LEU 319 Cb 0.01 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1ibq s LEU 319 CO -0.10 0.32 -0.19 -0.83 0.23 0.00 0.00 176.35 175.78 1ibq s GLY 320 N -0.60 1.56 -0.03 -3.19 0.00 0.87 -1.02 107.32 104.92 1ibq s GLY 320 Ca 0.09 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1ibq s GLY 320 CO 0.01 -1.13 -0.06 -1.36 0.00 0.00 0.00 173.10 170.56 1ibq s PHE 321 N -0.94 0.78 -0.06 1.90 0.40 -0.42 -0.47 117.98 119.17 1ibq s PHE 321 Ca 0.15 -0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.17 1ibq s PHE 321 Cb -0.10 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.84 1ibq s PHE 321 CO 0.05 -0.12 0.26 0.00 0.70 0.00 0.00 175.22 176.11 1ibq s ALA 322 N 0.45 -0.65 -0.03 5.36 0.00 -1.05 -1.52 121.76 124.32 1ibq s ALA 322 Ca -0.06 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1ibq s ALA 322 Cb -0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 1ibq s ALA 322 CO 0.00 -0.18 2.04 0.00 0.00 0.00 0.00 175.76 177.63 1ibq n ALA 323 N 2.20 1.65 -1.59 0.00 0.00 -1.26 -0.40 120.51 121.11 1ibq n ALA 323 Ca -0.17 0.09 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 1ibq n ALA 323 Cb 0.57 -2.75 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 1ibq n ALA 323 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ibq n GLN 324 N 7.87 1.37 0.00 0.00 7.27 -1.06 -1.74 117.38 131.08 1ibq n GLN 324 Ca 0.23 0.48 0.03 0.00 0.07 0.00 0.00 57.00 57.81 1ibq n GLN 324 Cb 0.42 -1.88 0.19 0.00 2.41 0.00 0.00 30.24 31.38 1ibq n GLN 324 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13