#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8o s SER 3 N 0.00 1.72 -0.06 -2.24 1.04 -1.26 -1.01 113.70 111.88 1q8o s SER 3 Ca 0.00 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1q8o s SER 3 Cb 0.00 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1q8o s SER 3 CO 0.00 0.11 0.28 -0.22 0.98 0.00 0.00 173.24 174.40 1q8o s LEU 4 N -0.73 0.94 -0.02 2.42 2.96 0.10 -5.00 118.68 119.35 1q8o s LEU 4 Ca 0.04 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 1q8o s LEU 4 Cb -0.07 1.09 0.08 0.00 0.50 0.00 0.00 46.19 47.79 1q8o s LEU 4 CO 0.00 -0.28 0.74 -0.94 -1.32 0.00 0.00 176.35 174.56 1q8o s SER 5 N -0.63 -0.56 -0.01 3.68 1.04 -1.26 -0.36 113.70 115.60 1q8o s SER 5 Ca -0.07 0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 1q8o s SER 5 Cb -0.04 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1q8o s SER 5 CO 0.02 -0.64 0.70 0.72 0.98 0.00 0.00 173.24 175.03 1q8o s PHE 6 N -1.90 -0.58 -0.01 5.02 -0.12 0.02 -4.99 117.98 115.42 1q8o s PHE 6 Ca -0.05 0.82 0.01 0.00 -0.05 0.00 0.00 56.93 57.66 1q8o s PHE 6 Cb -0.00 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1q8o s PHE 6 CO 0.02 -0.64 -0.04 0.20 -0.05 0.00 0.00 175.22 174.71 1q8o s GLY 7 N -1.65 0.24 -0.50 1.99 0.00 -1.26 -0.39 107.32 105.75 1q8o s GLY 7 Ca -0.06 -0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.55 1q8o s GLY 7 CO 0.02 -0.03 0.25 -1.36 0.00 0.00 0.00 173.10 171.98 1q8o s PHE 8 N 0.09 3.03 0.41 1.90 0.40 0.30 -4.93 117.98 119.18 1q8o s PHE 8 Ca -0.01 -3.06 0.09 0.00 -0.60 0.00 0.00 56.93 53.35 1q8o s PHE 8 Cb -0.04 -2.69 0.87 0.00 0.51 0.00 0.00 43.02 41.68 1q8o s PHE 8 CO -0.00 -0.76 2.02 -1.35 0.70 0.00 0.00 175.22 175.83 1q8o h PRO 9 N 6.59 0.39 -4.20 0.24 0.11 -1.90 -1.08 132.00 132.14 1q8o h PRO 9 Ca -0.07 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.71 1q8o h PRO 9 Cb 0.90 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 31.85 1q8o h PRO 9 CO 0.65 0.33 -0.23 0.95 -0.21 0.00 0.00 178.00 179.49 1q8o s THR 10 N -5.20 0.00 -0.58 -1.15 -4.23 -1.26 -4.49 115.64 98.73 1q8o s THR 10 Ca -0.07 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 1q8o s THR 10 Cb 0.17 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.55 1q8o s THR 10 CO 0.73 0.00 0.39 -0.36 -0.54 0.00 0.00 174.62 174.84 1q8o s PHE 11 N -3.14 2.83 0.60 3.99 0.08 -0.47 -4.95 117.98 116.93 1q8o s PHE 11 Ca 0.32 -3.00 -0.19 0.00 0.12 0.00 0.00 56.93 54.17 1q8o s PHE 11 Cb 0.00 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1q8o s PHE 11 CO 0.21 -0.66 1.28 -2.14 -0.10 0.00 0.00 175.22 173.81 1q8o s PRO 12 N -0.73 2.87 0.63 0.24 0.02 -1.26 -3.46 135.00 133.32 1q8o s PRO 12 Ca 0.24 2.04 0.42 0.00 0.02 0.00 0.00 61.00 63.72 1q8o s PRO 12 Cb -0.10 -2.00 2.29 0.00 0.02 0.00 0.00 34.50 34.71 1q8o s PRO 12 CO -0.12 -1.34 2.30 0.66 -0.33 0.00 0.00 177.00 178.17 1q8o h SER 13 N 0.95 0.00 -0.92 2.53 4.64 -1.96 -3.34 113.55 115.45 1q8o h SER 13 Ca -0.51 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.09 1q8o h SER 13 Cb 1.31 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 1q8o h SER 13 CO 0.55 0.00 2.34 -0.67 -0.87 0.00 0.00 176.83 178.18 1q8o n ASP 14 N -3.00 4.66 -4.87 4.97 2.03 -1.26 -4.97 116.55 114.11 1q8o n ASP 14 Ca -0.03 -2.96 -0.36 0.00 0.52 0.00 0.00 54.79 51.97 1q8o n ASP 14 Cb 0.07 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 38.80 1q8o n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1q8o s GLN 15 N 2.37 3.40 0.00 -0.67 -1.52 -1.26 -5.00 119.66 116.99 1q8o s GLN 15 Ca 0.46 -0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.65 1q8o s GLN 15 Cb 0.08 -3.13 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 1q8o s GLN 15 CO -0.01 0.74 0.00 1.63 -0.25 0.00 0.00 175.29 177.40 1q8o n LYS 16 N 1.65 3.15 -0.76 2.91 4.76 -1.26 -4.81 118.16 123.81 1q8o n LYS 16 Ca -0.17 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.35 1q8o n LYS 16 Cb 0.54 -0.93 0.39 0.00 -1.84 0.00 0.00 35.03 33.18 1q8o n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1q8o n ASN 17 N -1.86 5.27 -4.53 4.39 3.02 -1.26 -4.92 115.26 115.37 1q8o n ASN 17 Ca 0.00 -2.67 -0.34 0.00 -0.03 0.00 0.00 54.58 51.54 1q8o n ASN 17 Cb 0.43 -0.63 -0.12 0.00 -0.61 0.00 0.00 39.78 38.85 1q8o n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q8o s LEU 18 N -2.28 3.07 -0.34 3.41 1.43 -1.26 0.35 118.68 123.06 1q8o s LEU 18 Ca 0.53 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1q8o s LEU 18 Cb 0.37 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1q8o s LEU 18 CO 0.21 0.32 0.24 -0.63 0.23 0.00 0.00 176.35 176.72 1q8o s ILE 19 N -0.53 5.26 -0.14 -0.59 1.01 0.11 -4.87 121.20 121.44 1q8o s ILE 19 Ca 0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1q8o s ILE 19 Cb -0.12 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1q8o s ILE 19 CO 0.02 -0.02 0.37 -0.36 0.00 0.00 0.00 174.94 174.95 1q8o s PHE 20 N 1.72 3.48 0.08 3.97 0.08 -1.26 -1.36 117.98 124.69 1q8o s PHE 20 Ca 0.06 0.71 0.08 0.00 0.12 0.00 0.00 56.93 57.90 1q8o s PHE 20 Cb -0.17 -2.43 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 1q8o s PHE 20 CO 0.10 0.21 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.58 1q8o s GLN 21 N 0.53 1.15 5.99 0.44 -0.21 0.55 -5.00 119.66 123.11 1q8o s GLN 21 Ca 0.20 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1q8o s GLN 21 Cb -0.14 -1.35 0.00 0.00 1.00 0.00 0.00 33.01 32.52 1q8o s GLN 21 CO 0.06 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 1q8o n GLY 22 N 1.30 2.20 0.41 3.09 0.00 -1.26 -1.38 105.19 109.55 1q8o n GLY 22 Ca -0.19 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.49 1q8o n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q8o n ASP 23 N 3.33 1.39 -4.66 1.61 8.00 0.11 -4.94 116.55 121.39 1q8o n ASP 23 Ca 0.00 -1.27 -0.45 0.00 0.71 0.00 0.00 54.79 53.78 1q8o n ASP 23 Cb 0.00 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1q8o n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q8o n ALA 24 N -0.12 0.82 -3.47 2.24 0.00 -1.12 -4.52 120.51 114.33 1q8o n ALA 24 Ca 0.16 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 1q8o n ALA 24 Cb 0.37 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 1q8o n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1q8o s GLN 25 N -0.61 1.03 0.10 0.00 -2.07 -0.79 -4.72 119.66 112.62 1q8o s GLN 25 Ca 0.67 -0.28 -0.27 0.00 -1.82 0.00 0.00 55.36 53.65 1q8o s GLN 25 Cb -0.67 0.48 -0.06 0.00 -1.09 0.00 0.00 33.01 31.67 1q8o s GLN 25 CO 0.52 -0.43 0.86 0.42 -1.32 0.00 0.00 175.29 175.33 1q8o s ILE 26 N -3.05 4.54 -0.19 3.63 -1.09 -1.26 -0.32 121.20 123.45 1q8o s ILE 26 Ca 0.01 1.86 -0.10 0.00 -2.23 0.00 0.00 60.65 60.18 1q8o s ILE 26 Cb -0.01 -4.22 0.07 0.00 -1.58 0.00 0.00 42.46 36.72 1q8o s ILE 26 CO -0.08 0.38 0.47 -0.54 -1.23 0.00 0.00 174.94 173.93 1q8o s LYS 27 N -0.26 0.45 -1.39 2.79 1.02 0.12 -4.90 119.74 117.56 1q8o s LYS 27 Ca 0.42 0.90 -0.06 0.00 0.02 0.00 0.00 55.97 57.24 1q8o s LYS 27 Cb -0.22 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.16 1q8o s LYS 27 CO 0.27 -0.16 0.87 0.09 -0.92 0.00 0.00 175.35 175.50 1q8o n ASN 28 N 4.37 -3.11 -2.26 2.83 3.02 -1.26 -1.40 115.26 117.45 1q8o n ASN 28 Ca -0.22 -0.77 -0.20 0.00 -0.03 0.00 0.00 54.58 53.37 1q8o n ASN 28 Cb 0.55 -4.15 -0.02 0.00 -0.61 0.00 0.00 39.78 35.55 1q8o n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1q8o n ASN 29 N -2.97 -5.65 -4.02 6.41 3.02 -1.25 -4.96 115.26 105.84 1q8o n ASN 29 Ca -0.14 0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.43 1q8o n ASN 29 Cb 0.61 -4.76 -0.09 0.00 -0.61 0.00 0.00 39.78 34.93 1q8o n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q8o s ALA 30 N -2.95 0.28 -0.28 5.41 0.00 -0.49 -1.37 121.76 122.36 1q8o s ALA 30 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1q8o s ALA 30 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1q8o s ALA 30 CO 0.00 -0.41 0.34 0.08 0.00 0.00 0.00 175.76 175.77 1q8o s VAL 31 N -3.90 5.19 -0.59 0.00 1.01 -0.34 0.13 120.40 121.90 1q8o s VAL 31 Ca 0.06 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 1q8o s VAL 31 Cb 0.07 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.86 1q8o s VAL 31 CO -0.10 0.12 0.71 -1.10 0.00 0.00 0.00 175.10 174.73 1q8o s GLN 32 N 2.01 3.05 0.19 2.72 -1.52 0.57 -0.95 119.66 125.72 1q8o s GLN 32 Ca 0.13 -1.30 -0.11 0.00 -1.95 0.00 0.00 55.36 52.14 1q8o s GLN 32 Cb -0.16 -4.26 0.11 0.00 -0.22 0.00 0.00 33.01 28.48 1q8o s GLN 32 CO 0.10 -1.54 1.78 -0.07 -0.25 0.00 0.00 175.29 175.31 1q8o h LEU 33 N 10.00 0.89 -9.67 2.90 3.38 -1.51 -2.10 115.31 119.20 1q8o h LEU 33 Ca -0.29 -0.14 -0.63 0.00 0.09 0.00 0.00 57.88 56.91 1q8o h LEU 33 Cb 1.09 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1q8o h LEU 33 CO 1.10 0.77 -0.59 0.42 0.09 0.00 0.00 178.44 180.23 1q8o s THR 34 N -5.69 4.59 0.46 0.22 -4.23 -1.26 -2.81 115.64 106.91 1q8o s THR 34 Ca -0.13 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 59.36 1q8o s THR 34 Cb 0.14 -3.23 -0.08 0.00 1.34 0.00 0.00 72.50 70.67 1q8o s THR 34 CO 0.80 0.10 1.41 -0.75 -0.54 0.00 0.00 174.62 175.64 1q8o s LYS 35 N -2.48 3.65 0.06 3.99 2.20 -1.26 -4.76 119.74 121.13 1q8o s LYS 35 Ca 0.30 2.38 0.03 0.00 -0.36 0.00 0.00 55.97 58.32 1q8o s LYS 35 Cb -0.12 -2.62 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1q8o s LYS 35 CO 0.23 -0.83 -0.10 0.95 -0.36 0.00 0.00 175.35 175.24 1q8o s THR 36 N -1.22 0.76 0.67 3.43 -4.23 -1.26 -2.86 115.64 110.94 1q8o s THR 36 Ca 0.62 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 1q8o s THR 36 Cb -0.43 -0.85 0.16 0.00 1.34 0.00 0.00 72.50 72.72 1q8o s THR 36 CO 0.55 -0.36 0.81 -0.90 -0.54 0.00 0.00 174.62 174.18 1q8o n ASP 37 N 1.29 -0.38 0.30 3.99 5.68 0.11 -4.80 116.55 122.74 1q8o n ASP 37 Ca -0.21 -1.21 0.18 0.00 -0.50 0.00 0.00 54.79 53.05 1q8o n ASP 37 Cb 0.55 -0.65 0.95 0.00 -1.14 0.00 0.00 41.12 40.83 1q8o n ASP 37 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1q8o h SER 38 N -1.37 0.00 -0.34 -1.12 4.64 -2.02 0.14 113.55 113.48 1q8o h SER 38 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1q8o h SER 38 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1q8o h SER 38 CO 0.19 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.74 1q8o n ASN 39 N -3.20 2.54 -0.04 4.97 3.02 -1.26 -4.91 115.26 116.38 1q8o n ASN 39 Ca -0.01 -1.89 -0.01 0.00 -0.03 0.00 0.00 54.58 52.64 1q8o n ASN 39 Cb 0.27 -0.22 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1q8o n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q8o n GLY 40 N 1.30 0.46 3.81 7.41 0.00 0.48 -5.01 105.19 113.64 1q8o n GLY 40 Ca 0.17 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1q8o n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q8o s ASN 41 N -2.18 7.02 0.49 1.61 0.02 -1.26 -4.76 114.94 115.88 1q8o s ASN 41 Ca 0.00 1.21 -0.23 0.00 -1.02 0.00 0.00 52.86 52.82 1q8o s ASN 41 Cb 0.00 -2.34 -0.06 0.00 0.02 0.00 0.00 41.25 38.86 1q8o s ASN 41 CO 0.00 0.27 1.25 -2.16 0.02 0.00 0.00 177.10 176.48 1q8o s PRO 42 N -1.01 3.51 0.27 -0.60 0.04 -1.26 0.07 135.00 136.01 1q8o s PRO 42 Ca 0.28 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.39 1q8o s PRO 42 Cb -0.19 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1q8o s PRO 42 CO 0.18 -0.82 -0.11 0.14 0.04 0.00 0.00 177.00 176.44 1q8o s VAL 43 N -1.43 1.85 0.89 -0.36 -7.23 -1.13 -4.83 120.40 108.17 1q8o s VAL 43 Ca 0.67 -2.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 1q8o s VAL 43 Cb -0.34 -2.34 0.13 0.00 0.56 0.00 0.00 36.38 34.39 1q8o s VAL 43 CO 0.41 -0.38 1.20 0.00 -0.31 0.00 0.00 175.10 176.02 1q8o s ALA 44 N -2.89 2.21 -0.99 1.32 0.00 -1.26 -4.54 121.76 115.61 1q8o s ALA 44 Ca 0.28 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 1q8o s ALA 44 Cb 0.01 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1q8o s ALA 44 CO 0.11 -2.12 0.70 0.43 0.00 0.00 0.00 175.76 174.89 1q8o n SER 45 N -3.62 -5.32 -3.88 0.00 7.64 0.02 -4.97 113.62 103.50 1q8o n SER 45 Ca 0.10 -0.92 -0.12 0.00 1.01 0.00 0.00 58.87 58.94 1q8o n SER 45 Cb 0.60 -2.78 -0.13 0.00 -1.01 0.00 0.00 64.21 60.89 1q8o n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q8o s THR 46 N -3.25 0.02 0.00 0.44 -1.32 -0.49 -5.00 115.64 106.05 1q8o s THR 46 Ca 0.25 -0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.54 1q8o s THR 46 Cb -0.11 -0.13 -0.00 0.00 -1.51 0.00 0.00 72.50 70.74 1q8o s THR 46 CO 0.88 -0.11 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.46 1q8o s VAL 47 N -0.32 0.18 -0.07 5.08 1.01 -1.26 -0.73 120.40 124.29 1q8o s VAL 47 Ca -0.04 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1q8o s VAL 47 Cb -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.24 1q8o s VAL 47 CO -0.00 -0.01 0.59 -0.83 0.00 0.00 0.00 175.10 174.84 1q8o s GLY 48 N -0.23 -0.46 0.09 4.51 0.00 -0.88 -0.71 107.32 109.63 1q8o s GLY 48 Ca -0.01 1.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 1q8o s GLY 48 CO -0.00 0.84 0.27 0.50 0.00 0.00 0.00 173.10 174.71 1q8o s ARG 49 N -1.01 0.90 0.03 2.90 0.52 -0.48 -1.90 118.95 119.92 1q8o s ARG 49 Ca -0.10 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 1q8o s ARG 49 Cb -0.02 0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 1q8o s ARG 49 CO 0.07 -0.31 -0.08 0.96 0.02 0.00 0.00 175.30 175.97 1q8o s ILE 50 N -3.58 0.53 0.02 1.52 -4.36 7.02 -0.33 121.20 122.03 1q8o s ILE 50 Ca 0.02 -0.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 1q8o s ILE 50 Cb 0.03 -0.58 -0.02 0.00 1.25 0.00 0.00 42.46 43.15 1q8o s ILE 50 CO -0.10 -0.29 -0.06 -0.76 0.24 0.00 0.00 174.94 173.97 1q8o s LEU 51 N -1.33 2.17 0.23 0.37 2.01 -0.46 -1.33 118.68 120.34 1q8o s LEU 51 Ca -0.08 -0.38 -0.30 0.00 0.01 0.00 0.00 54.13 53.38 1q8o s LEU 51 Cb -0.09 -0.16 -0.09 0.00 0.01 0.00 0.00 46.19 45.87 1q8o s LEU 51 CO 0.00 -0.12 1.02 0.12 1.01 0.00 0.00 176.35 178.38 1q8o s PHE 52 N -0.95 3.78 0.14 0.29 5.36 -0.69 0.04 117.98 125.95 1q8o s PHE 52 Ca -0.07 1.79 -0.17 0.00 -0.96 0.00 0.00 56.93 57.52 1q8o s PHE 52 Cb -0.07 -3.13 -0.01 0.00 -0.34 0.00 0.00 43.02 39.47 1q8o s PHE 52 CO 0.00 -0.05 1.74 0.66 -1.46 0.00 0.00 175.22 176.12 1q8o h SER 53 N 4.34 0.45 -3.21 6.13 4.64 -0.44 -3.43 113.55 122.03 1q8o h SER 53 Ca -0.45 -0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.26 1q8o h SER 53 Cb 1.21 -0.11 0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1q8o h SER 53 CO 0.69 0.40 0.74 0.00 -0.87 0.00 0.00 176.83 177.79 1q8o s ALA 54 N -5.88 3.61 0.32 5.18 0.00 -1.26 -4.98 121.76 118.75 1q8o s ALA 54 Ca -0.13 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.78 1q8o s ALA 54 Cb 0.10 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1q8o s ALA 54 CO 0.73 -0.66 1.01 -0.65 0.00 0.00 0.00 175.76 176.19 1q8o s GLN 55 N 0.25 4.53 -0.15 0.00 -0.21 -1.26 -4.82 119.66 117.99 1q8o s GLN 55 Ca 0.61 1.53 -0.11 0.00 0.02 0.00 0.00 55.36 57.41 1q8o s GLN 55 Cb -0.40 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 1q8o s GLN 55 CO 0.37 0.19 0.21 0.08 -2.12 0.00 0.00 175.29 174.02 1q8o s VAL 56 N -1.44 5.36 -0.84 1.09 1.01 0.20 -4.90 120.40 120.89 1q8o s VAL 56 Ca 0.49 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 1q8o s VAL 56 Cb -0.24 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1q8o s VAL 56 CO 0.31 0.47 1.12 -2.28 0.00 0.00 0.00 175.10 174.71 1q8o s HIS 57 N -0.03 2.85 0.05 5.22 2.46 -1.26 -0.94 115.29 123.63 1q8o s HIS 57 Ca 0.14 -0.97 -0.21 0.00 0.47 0.00 0.00 55.06 54.49 1q8o s HIS 57 Cb -0.12 -4.35 -0.13 0.00 -0.13 0.00 0.00 32.58 27.84 1q8o s HIS 57 CO 0.03 -1.63 1.43 1.25 -2.47 0.00 0.00 174.74 173.35 1q8o h LEU 58 N 11.15 0.29 -7.51 8.88 5.85 -0.63 -3.42 115.31 129.93 1q8o h LEU 58 Ca -0.01 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1q8o h LEU 58 Cb 1.04 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.85 1q8o h LEU 58 CO 1.18 0.61 -0.16 -1.66 -0.34 0.00 0.00 178.44 178.07 1q8o s TRP 59 N -4.70 -0.12 -0.23 1.25 1.48 -1.11 0.89 118.94 116.41 1q8o s TRP 59 Ca -0.14 -0.19 -0.00 0.00 -1.06 0.00 0.00 56.10 54.71 1q8o s TRP 59 Cb 0.05 0.16 0.06 0.00 -1.16 0.00 0.00 33.47 32.59 1q8o s TRP 59 CO 0.73 -0.63 -0.02 -2.00 -4.06 0.00 0.00 176.95 170.97 1q8o s GLU 60 N -3.58 1.27 0.11 3.25 2.12 0.59 -4.50 118.70 117.96 1q8o s GLU 60 Ca 0.02 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 1q8o s GLU 60 Cb 0.02 -2.42 -0.09 0.00 0.26 0.00 0.00 34.13 31.89 1q8o s GLU 60 CO -0.10 -0.63 1.59 -0.22 -0.54 0.00 0.00 175.26 175.36 1q8o h LYS 61 N 8.05 -0.60 -0.91 4.30 3.64 -1.96 0.73 116.57 129.82 1q8o h LYS 61 Ca -0.17 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.43 1q8o h LYS 61 Cb 1.08 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 1q8o h LYS 61 CO 0.39 -0.40 0.49 0.66 -2.27 0.00 0.00 179.45 178.31 1q8o h SER 62 N -0.63 0.57 -0.02 4.20 4.64 -1.97 -1.45 113.55 118.89 1q8o h SER 62 Ca 0.03 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1q8o h SER 62 Cb 0.66 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1q8o h SER 62 CO -0.24 0.19 -0.02 -1.54 -0.87 0.00 0.00 176.83 174.35 1q8o n SER 63 N -4.88 2.56 -2.34 4.97 3.41 -1.11 -4.95 113.62 111.28 1q8o n SER 63 Ca 0.20 -1.84 -0.20 0.00 -0.26 0.00 0.00 58.87 56.78 1q8o n SER 63 Cb 0.53 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1q8o n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q8o n SER 64 N 0.98 -5.59 -4.90 4.04 2.88 0.20 -4.92 113.62 106.30 1q8o n SER 64 Ca 0.15 0.05 -0.29 0.00 -1.33 0.00 0.00 58.87 57.45 1q8o n SER 64 Cb 0.53 -4.69 -0.04 0.00 -0.75 0.00 0.00 64.21 59.26 1q8o n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1q8o s ARG 65 N -4.94 3.34 0.02 -1.46 0.52 -0.92 -3.92 118.95 111.58 1q8o s ARG 65 Ca 0.00 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1q8o s ARG 65 Cb 0.00 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1q8o s ARG 65 CO 0.00 0.57 -0.10 0.08 0.02 0.00 0.00 175.30 175.87 1q8o s VAL 66 N -1.59 0.77 0.37 3.52 1.01 -0.81 -0.30 120.40 123.37 1q8o s VAL 66 Ca 0.34 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 1q8o s VAL 66 Cb -0.12 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 1q8o s VAL 66 CO 0.27 0.01 1.08 0.00 0.00 0.00 0.00 175.10 176.46 1q8o s ALA 67 N -0.64 3.16 -0.29 5.51 0.00 0.26 -1.64 121.76 128.11 1q8o s ALA 67 Ca -0.00 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1q8o s ALA 67 Cb -0.06 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1q8o s ALA 67 CO 0.00 -0.25 0.11 1.21 0.00 0.00 0.00 175.76 176.83 1q8o s ASN 68 N -1.36 5.32 0.11 0.00 3.04 -0.33 -4.29 114.94 117.43 1q8o s ASN 68 Ca 0.55 -0.54 0.05 0.00 0.04 0.00 0.00 52.86 52.95 1q8o s ASN 68 Cb -0.25 -1.94 -0.04 0.00 -1.54 0.00 0.00 41.25 37.48 1q8o s ASN 68 CO 0.32 -0.17 -0.12 0.72 -3.04 0.00 0.00 177.10 174.82 1q8o s PHE 69 N 1.57 1.20 -0.02 0.43 -0.12 -1.11 -1.61 117.98 118.33 1q8o s PHE 69 Ca 0.04 -0.62 0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1q8o s PHE 69 Cb -0.17 -0.64 0.01 0.00 -0.63 0.00 0.00 43.02 41.59 1q8o s PHE 69 CO 0.04 0.06 -0.01 -0.65 -0.05 0.00 0.00 175.22 174.61 1q8o s GLN 70 N -2.76 0.27 -0.18 1.99 -0.21 -0.01 -1.01 119.66 117.74 1q8o s GLN 70 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 55.36 55.43 1q8o s GLN 70 Cb -0.04 -0.36 0.05 0.00 1.00 0.00 0.00 33.01 33.67 1q8o s GLN 70 CO 0.01 -0.04 -0.03 0.45 -2.12 0.00 0.00 175.29 173.56 1q8o s SER 71 N 0.50 3.00 -0.14 5.90 0.15 0.83 -1.51 113.70 122.42 1q8o s SER 71 Ca -0.05 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 55.80 1q8o s SER 71 Cb -0.08 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.31 1q8o s SER 71 CO -0.01 -0.22 -0.02 -1.58 1.20 0.00 0.00 173.24 172.61 1q8o s GLN 72 N 1.64 3.54 0.17 5.44 -0.44 -0.12 -0.56 119.66 129.33 1q8o s GLN 72 Ca -0.01 -0.48 -0.23 0.00 -2.50 0.00 0.00 55.36 52.14 1q8o s GLN 72 Cb -0.16 -2.91 0.07 0.00 -1.64 0.00 0.00 33.01 28.36 1q8o s GLN 72 CO -0.07 0.35 0.62 -0.59 0.50 0.00 0.00 175.29 176.10 1q8o s PHE 73 N 0.08 -0.50 0.03 1.67 -0.12 -0.02 -0.42 117.98 118.71 1q8o s PHE 73 Ca 0.01 0.27 0.02 0.00 -0.05 0.00 0.00 56.93 57.18 1q8o s PHE 73 Cb -0.13 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1q8o s PHE 73 CO 0.02 -0.88 -0.08 -1.54 -0.05 0.00 0.00 175.22 172.69 1q8o s SER 74 N -2.76 0.88 0.25 1.98 1.04 -1.02 0.18 113.70 114.25 1q8o s SER 74 Ca 0.02 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 1q8o s SER 74 Cb -0.01 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1q8o s SER 74 CO -0.11 -0.12 0.45 0.72 0.98 0.00 0.00 173.24 175.16 1q8o s PHE 75 N -1.05 0.47 -0.02 5.02 -0.71 -0.96 -0.69 117.98 120.04 1q8o s PHE 75 Ca -0.06 -0.82 -0.10 0.00 -1.04 0.00 0.00 56.93 54.91 1q8o s PHE 75 Cb -0.08 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.86 1q8o s PHE 75 CO 0.00 -0.98 0.22 -1.54 -1.34 0.00 0.00 175.22 171.59 1q8o s SER 76 N -3.05 -0.11 0.06 1.98 1.04 -0.67 -0.58 113.70 112.37 1q8o s SER 76 Ca 0.24 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.81 1q8o s SER 76 Cb -0.00 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1q8o s SER 76 CO 0.10 -0.34 -0.25 -0.76 0.98 0.00 0.00 173.24 172.97 1q8o s LEU 77 N -1.04 2.27 -0.10 2.42 1.43 -1.26 -1.72 118.68 120.68 1q8o s LEU 77 Ca -0.11 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1q8o s LEU 77 Cb -0.05 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1q8o s LEU 77 CO 0.02 0.25 0.25 -0.75 0.23 0.00 0.00 176.35 176.35 1q8o s LYS 78 N -1.40 0.28 -0.28 1.70 2.20 -1.18 0.21 119.74 121.26 1q8o s LYS 78 Ca 0.13 0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 55.91 1q8o s LYS 78 Cb -0.10 0.09 0.11 0.00 -1.51 0.00 0.00 37.83 36.42 1q8o s LYS 78 CO 0.03 -0.06 0.88 0.45 -0.36 0.00 0.00 175.35 176.29 1q8o s SER 79 N 0.35 -0.63 0.21 1.43 0.15 -1.26 -0.83 113.70 113.12 1q8o s SER 79 Ca -0.02 1.11 0.23 0.00 0.70 0.00 0.00 55.95 57.98 1q8o s SER 79 Cb -0.03 1.19 0.91 0.00 -1.71 0.00 0.00 66.02 66.38 1q8o s SER 79 CO -0.01 -0.18 1.70 -0.81 1.20 0.00 0.00 173.24 175.13 1q8o n PRO 80 N 3.09 0.17 -2.47 5.44 -0.04 -1.26 -4.77 135.00 135.16 1q8o n PRO 80 Ca -0.16 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.33 1q8o n PRO 80 Cb 0.57 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 1q8o n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q8o s LEU 81 N -4.23 3.69 0.37 1.53 1.43 -1.26 -4.96 118.68 115.24 1q8o s LEU 81 Ca 0.06 1.61 0.26 0.00 -1.03 0.00 0.00 54.13 55.02 1q8o s LEU 81 Cb 0.10 -4.52 0.73 0.00 0.03 0.00 0.00 46.19 42.53 1q8o s LEU 81 CO 0.42 -0.56 1.74 0.77 0.23 0.00 0.00 176.35 178.94 1q8o h SER 82 N 1.11 0.00 -2.15 2.29 4.64 -1.97 -3.35 113.55 114.12 1q8o h SER 82 Ca -0.47 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 1q8o h SER 82 Cb 1.19 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.86 1q8o h SER 82 CO 0.61 0.00 -0.86 -0.46 -0.87 0.00 0.00 176.83 175.25 1q8o n ASN 83 N -2.74 2.76 -4.72 4.97 6.94 -1.26 -5.10 115.26 116.12 1q8o n ASN 83 Ca 0.04 -3.33 -0.42 0.00 -0.02 0.00 0.00 54.58 50.85 1q8o n ASN 83 Cb 0.43 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1q8o n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q8o n GLY 84 N 0.26 0.72 3.15 4.83 0.00 -1.26 -4.60 105.19 108.30 1q8o n GLY 84 Ca 0.28 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.48 1q8o n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8o s ALA 85 N -1.13 0.80 -0.08 4.61 0.00 -1.24 -4.24 121.76 120.48 1q8o s ALA 85 Ca 0.57 -1.42 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1q8o s ALA 85 Cb -0.53 0.80 -0.16 0.00 0.00 0.00 0.00 23.12 23.23 1q8o s ALA 85 CO 0.61 -0.48 0.26 -0.25 0.00 0.00 0.00 175.76 175.91 1q8o n ASP 86 N -0.07 2.27 0.00 0.00 8.00 0.19 -2.76 116.55 124.18 1q8o n ASP 86 Ca -0.07 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1q8o n ASP 86 Cb 0.63 1.43 0.00 0.00 -0.02 0.00 0.00 41.12 43.16 1q8o n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q8o n GLY 87 N 1.81 3.41 3.34 0.44 0.00 -1.23 -2.78 105.19 110.17 1q8o n GLY 87 Ca -0.01 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 1q8o n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q8o s ILE 88 N -2.01 1.93 -0.04 -0.61 2.07 -0.89 -2.96 121.20 118.70 1q8o s ILE 88 Ca 0.00 -1.78 -0.05 0.00 -1.41 0.00 0.00 60.65 57.41 1q8o s ILE 88 Cb 0.00 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 40.79 1q8o s ILE 88 CO 0.00 -0.13 0.14 0.00 -1.91 0.00 0.00 174.94 173.04 1q8o s ALA 89 N -1.52 -0.33 -0.15 1.50 0.00 0.32 -0.84 121.76 120.74 1q8o s ALA 89 Ca 0.13 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1q8o s ALA 89 Cb -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1q8o s ALA 89 CO 0.06 -0.09 0.32 0.12 0.00 0.00 0.00 175.76 176.17 1q8o s PHE 90 N -0.19 3.48 0.10 0.00 5.36 -0.78 0.25 117.98 126.20 1q8o s PHE 90 Ca -0.03 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.56 1q8o s PHE 90 Cb -0.02 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1q8o s PHE 90 CO 0.00 0.25 0.05 -0.59 -1.46 0.00 0.00 175.22 173.47 1q8o s PHE 91 N 0.41 0.66 -0.09 10.12 -0.71 0.54 -0.62 117.98 128.29 1q8o s PHE 91 Ca 0.18 -1.10 0.01 0.00 -1.04 0.00 0.00 56.93 54.98 1q8o s PHE 91 Cb -0.13 -0.39 0.02 0.00 -1.21 0.00 0.00 43.02 41.30 1q8o s PHE 91 CO 0.05 -0.48 -0.10 0.42 -1.34 0.00 0.00 175.22 173.76 1q8o s ILE 92 N -3.98 1.10 0.30 -4.49 1.01 0.69 -1.64 121.20 114.18 1q8o s ILE 92 Ca 0.16 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 1q8o s ILE 92 Cb 0.07 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1q8o s ILE 92 CO -0.04 0.36 0.49 0.00 0.00 0.00 0.00 174.94 175.76 1q8o s ALA 93 N 1.09 0.17 0.70 9.38 0.00 -0.82 -1.97 121.76 130.31 1q8o s ALA 93 Ca -0.06 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 1q8o s ALA 93 Cb -0.14 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1q8o s ALA 93 CO -0.01 -0.83 1.04 -2.30 0.00 0.00 0.00 175.76 173.65 1q8o n PRO 94 N -0.46 0.63 -0.21 0.00 -0.02 -1.26 -1.31 135.00 132.36 1q8o n PRO 94 Ca -0.01 0.27 0.16 0.00 -2.02 0.00 0.00 63.50 61.90 1q8o n PRO 94 Cb 0.62 -2.28 0.49 0.00 -0.02 0.00 0.00 33.50 32.30 1q8o n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q8o h PRO 95 N -0.09 0.44 -0.41 0.52 0.11 -1.87 -1.96 132.00 128.75 1q8o h PRO 95 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1q8o h PRO 95 Cb 1.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1q8o h PRO 95 CO 0.48 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1q8o n ASP 96 N -4.50 1.94 -4.71 -2.05 3.85 -1.26 -4.88 116.55 104.93 1q8o n ASP 96 Ca 0.16 -2.07 -0.43 0.00 -0.71 0.00 0.00 54.79 51.75 1q8o n ASP 96 Cb 0.58 -0.28 -0.02 0.00 -1.35 0.00 0.00 41.12 40.05 1q8o n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 1q8o n THR 97 N 0.41 1.16 -4.27 2.12 5.66 -0.74 -5.01 114.28 113.60 1q8o n THR 97 Ca 0.11 -0.29 -0.15 0.00 -3.05 0.00 0.00 64.05 60.67 1q8o n THR 97 Cb 0.34 -1.70 -0.10 0.00 -1.55 0.00 0.00 70.33 67.31 1q8o n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1q8o s THR 98 N -0.22 0.43 -0.14 1.09 -4.23 -1.26 -5.08 115.64 106.23 1q8o s THR 98 Ca 0.64 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.87 1q8o s THR 98 Cb -0.57 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1q8o s THR 98 CO 0.51 -0.09 1.68 -0.63 -0.54 0.00 0.00 174.62 175.55 1q8o s ILE 99 N -3.84 3.58 0.63 2.99 1.01 -1.26 -4.96 121.20 119.35 1q8o s ILE 99 Ca 0.35 0.67 -0.18 0.00 0.00 0.00 0.00 60.65 61.50 1q8o s ILE 99 Cb 0.07 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1q8o s ILE 99 CO 0.11 -0.17 1.26 -2.84 0.00 0.00 0.00 174.94 173.30 1q8o s PRO 100 N 4.51 2.70 0.24 2.79 0.02 -1.26 -4.93 135.00 139.07 1q8o s PRO 100 Ca 0.75 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 1q8o s PRO 100 Cb -0.30 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 1q8o s PRO 100 CO 0.30 -1.45 1.39 0.45 -0.33 0.00 0.00 177.00 177.36 1q8o s SER 101 N -1.51 6.73 -1.44 2.53 0.15 -1.26 -2.53 113.70 116.36 1q8o s SER 101 Ca 0.80 2.59 0.00 0.00 0.70 0.00 0.00 55.95 60.05 1q8o s SER 101 Cb -0.34 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 1q8o s SER 101 CO 0.37 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1q8o n GLY 102 N 2.15 0.56 1.00 9.45 0.00 -1.26 -4.42 105.19 112.67 1q8o n GLY 102 Ca 0.06 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1q8o n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q8o n SER 103 N -0.70 2.88 -3.34 1.61 3.41 -1.05 -4.23 113.62 112.20 1q8o n SER 103 Ca -0.17 -2.24 -0.23 0.00 -0.26 0.00 0.00 58.87 55.98 1q8o n SER 103 Cb 0.57 -0.43 0.18 0.00 -0.26 0.00 0.00 64.21 64.28 1q8o n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q8o n GLY 104 N 0.80 -2.38 7.00 5.00 0.00 -1.26 0.10 105.19 114.45 1q8o n GLY 104 Ca 0.15 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1q8o n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8o n GLY 105 N -2.68 3.27 0.14 -0.02 0.00 -1.26 -2.14 105.19 102.50 1q8o n GLY 105 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1q8o n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8o n GLY 106 N 0.00 -0.76 0.37 -0.02 0.00 -1.26 -1.19 105.19 102.33 1q8o n GLY 106 Ca 0.00 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1q8o n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8o n LEU 107 N -2.10 1.16 -1.37 0.99 4.77 -0.91 -4.93 117.00 114.60 1q8o n LEU 107 Ca -0.01 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 1q8o n LEU 107 Cb 0.08 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1q8o n LEU 107 CO 0.08 0.20 -0.12 0.18 -1.33 0.00 0.00 177.39 176.40 1q8o n LEU 108 N -0.08 -0.91 -0.45 2.23 4.77 -0.33 -1.19 117.00 121.03 1q8o n LEU 108 Ca 0.19 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1q8o n LEU 108 Cb 0.29 -1.92 -0.03 0.00 -2.33 0.00 0.00 43.42 39.44 1q8o n LEU 108 CO 0.16 -0.65 -0.06 0.61 -1.33 0.00 0.00 177.39 176.13 1q8o n GLY 109 N -0.24 0.80 0.06 -0.72 0.00 0.29 -3.86 105.19 101.52 1q8o n GLY 109 Ca -0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1q8o n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8o n LEU 110 N -0.67 0.71 -4.29 0.99 4.77 -0.34 -4.42 117.00 113.75 1q8o n LEU 110 Ca -0.06 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 1q8o n LEU 110 Cb 0.28 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1q8o n LEU 110 CO 0.09 0.39 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.70 1q8o s PHE 111 N -2.28 1.67 0.19 -1.77 0.40 -1.17 -4.81 117.98 110.21 1q8o s PHE 111 Ca -0.09 -0.49 -0.19 0.00 -0.60 0.00 0.00 56.93 55.57 1q8o s PHE 111 Cb 0.04 -0.86 -0.08 0.00 0.51 0.00 0.00 43.02 42.63 1q8o s PHE 111 CO 0.43 0.24 0.67 0.00 0.70 0.00 0.00 175.22 177.27 1q8o s ALA 112 N -1.90 3.47 0.22 5.36 0.00 -1.26 -4.02 121.76 123.62 1q8o s ALA 112 Ca 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 1q8o s ALA 112 Cb -0.06 -2.74 0.32 0.00 0.00 0.00 0.00 23.12 20.63 1q8o s ALA 112 CO 0.05 0.36 1.74 -1.35 0.00 0.00 0.00 175.76 176.56 1q8o h PRO 113 N 3.57 0.39 -0.24 0.00 0.11 -1.77 0.11 132.00 134.16 1q8o h PRO 113 Ca -0.48 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1q8o h PRO 113 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1q8o h PRO 113 CO 0.65 0.26 0.16 0.78 -0.21 0.00 0.00 178.00 179.64 1q8o h GLY 114 N 0.40 0.23 -0.07 -0.55 0.00 -1.94 -3.14 103.07 98.00 1q8o h GLY 114 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1q8o h GLY 114 CO -0.34 0.07 -0.03 -1.30 0.00 0.00 0.00 176.54 174.93 1q8o n THR 115 N -4.50 1.05 -0.29 4.70 -2.24 -0.98 -4.81 114.28 107.22 1q8o n THR 115 Ca 0.02 -1.16 0.34 0.00 -2.27 0.00 0.00 64.05 60.98 1q8o n THR 115 Cb 0.17 0.36 0.74 0.00 -2.10 0.00 0.00 70.33 69.50 1q8o n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8o h ALA 116 N 0.00 3.06 -0.11 6.98 0.00 -0.74 0.91 119.26 129.36 1q8o h ALA 116 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q8o h ALA 116 Cb 0.77 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1q8o h ALA 116 CO 0.00 -1.40 0.00 1.04 0.00 0.00 0.00 179.25 178.89 1q8o n GLN 117 N -4.17 2.22 -3.30 0.00 6.02 -1.26 -0.98 117.38 115.91 1q8o n GLN 117 Ca 0.24 -2.38 -0.46 0.00 -0.01 0.00 0.00 57.00 54.39 1q8o n GLN 117 Cb 1.19 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.94 1q8o n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1q8o s ASN 118 N -2.06 6.27 0.48 1.08 3.84 0.31 -4.92 114.94 119.95 1q8o s ASN 118 Ca 0.28 -1.90 0.32 0.00 0.21 0.00 0.00 52.86 51.77 1q8o s ASN 118 Cb 0.22 -2.22 1.72 0.00 -0.55 0.00 0.00 41.25 40.42 1q8o s ASN 118 CO 0.05 -0.84 1.99 0.71 -2.79 0.00 0.00 177.10 176.23 1q8o h THR 119 N 5.74 0.00 0.00 -5.21 1.35 -1.83 -0.83 112.91 112.12 1q8o h THR 119 Ca -0.24 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1q8o h THR 119 Cb 1.09 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1q8o h THR 119 CO 1.00 0.00 -0.49 -1.20 -0.25 0.00 0.00 175.52 174.58 1q8o n SER 120 N -2.66 0.50 -0.83 5.36 7.64 -1.26 -3.83 113.62 118.53 1q8o n SER 120 Ca -0.02 -0.13 0.12 0.00 1.01 0.00 0.00 58.87 59.85 1q8o n SER 120 Cb 0.08 0.19 0.12 0.00 -1.01 0.00 0.00 64.21 63.59 1q8o n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q8o n ALA 121 N -1.56 2.67 -2.32 -0.43 0.00 -0.32 -4.98 120.51 113.56 1q8o n ALA 121 Ca 0.05 -0.66 -0.17 0.00 0.00 0.00 0.00 53.44 52.66 1q8o n ALA 121 Cb 0.35 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1q8o n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1q8o s ASN 122 N -2.09 2.26 -0.38 0.00 0.01 -1.22 -5.08 114.94 108.45 1q8o s ASN 122 Ca 0.27 -1.06 0.02 0.00 -0.71 0.00 0.00 52.86 51.38 1q8o s ASN 122 Cb 0.20 -0.08 0.15 0.00 0.41 0.00 0.00 41.25 41.93 1q8o s ASN 122 CO 0.35 -0.28 0.27 -1.10 -1.51 0.00 0.00 177.10 174.83 1q8o s GLN 123 N -3.71 0.69 -0.28 -0.60 -0.21 -1.26 -4.79 119.66 109.49 1q8o s GLN 123 Ca 0.22 -1.61 -0.24 0.00 0.02 0.00 0.00 55.36 53.75 1q8o s GLN 123 Cb 0.02 -1.31 0.09 0.00 1.00 0.00 0.00 33.01 32.81 1q8o s GLN 123 CO 0.06 -1.28 0.84 0.54 -2.12 0.00 0.00 175.29 173.32 1q8o s VAL 124 N 0.70 0.00 -0.11 1.09 0.11 -1.26 -4.24 120.40 116.69 1q8o s VAL 124 Ca 0.24 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 1q8o s VAL 124 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1q8o s VAL 124 CO -0.07 0.00 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.87 1q8o s ILE 125 N 0.45 1.81 -0.01 7.04 1.01 -0.83 -0.99 121.20 129.69 1q8o s ILE 125 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1q8o s ILE 125 Cb -0.05 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1q8o s ILE 125 CO -0.04 0.50 0.17 0.00 0.00 0.00 0.00 174.94 175.58 1q8o s ALA 126 N 0.66 -0.42 -0.34 9.38 0.00 -0.22 -0.23 121.76 130.61 1q8o s ALA 126 Ca -0.12 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1q8o s ALA 126 Cb -0.16 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1q8o s ALA 126 CO 0.03 -0.21 0.09 0.08 0.00 0.00 0.00 175.76 175.76 1q8o s VAL 127 N -1.24 3.69 -0.02 0.00 1.01 0.21 0.02 120.40 124.08 1q8o s VAL 127 Ca -0.13 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 1q8o s VAL 127 Cb -0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1q8o s VAL 127 CO 0.02 -0.17 0.17 -1.83 0.00 0.00 0.00 175.10 173.28 1q8o s GLU 128 N 1.38 3.40 -0.50 2.72 -1.05 0.33 -1.86 118.70 123.13 1q8o s GLU 128 Ca -0.02 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.51 1q8o s GLU 128 Cb -0.20 -3.08 0.13 0.00 -0.44 0.00 0.00 34.13 30.54 1q8o s GLU 128 CO 0.02 0.68 0.24 -0.06 0.95 0.00 0.00 175.26 177.10 1q8o s PHE 129 N -1.28 3.34 -0.27 4.83 0.40 -0.02 -0.57 117.98 124.42 1q8o s PHE 129 Ca 0.25 -3.06 -0.16 0.00 -0.60 0.00 0.00 56.93 53.37 1q8o s PHE 129 Cb -0.12 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.46 1q8o s PHE 129 CO 0.17 -0.80 0.42 0.34 0.70 0.00 0.00 175.22 176.04 1q8o s ASP 130 N 0.14 6.30 0.00 1.36 -1.08 -0.26 -2.09 116.67 121.04 1q8o s ASP 130 Ca 0.16 0.33 0.15 0.00 -0.52 0.00 0.00 52.55 52.67 1q8o s ASP 130 Cb -0.24 -2.23 -0.06 0.00 -1.46 0.00 0.00 42.92 38.93 1q8o s ASP 130 CO -0.02 -0.22 0.76 0.35 0.52 0.00 0.00 175.17 176.55 1q8o n THR 131 N 5.14 0.00 -4.20 1.71 -2.24 -1.12 -1.50 114.28 112.07 1q8o n THR 131 Ca -0.07 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1q8o n THR 131 Cb 0.50 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 1q8o n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1q8o s PHE 132 N -2.05 2.64 -0.06 4.78 5.36 -1.25 -4.76 117.98 122.63 1q8o s PHE 132 Ca 0.10 -1.51 0.10 0.00 -0.96 0.00 0.00 56.93 54.66 1q8o s PHE 132 Cb 0.12 -1.83 0.16 0.00 -0.34 0.00 0.00 43.02 41.12 1q8o s PHE 132 CO 0.47 -0.75 1.08 2.48 -1.46 0.00 0.00 175.22 177.04 1q8o n TYR 133 N 4.55 0.00 -1.46 10.12 4.11 -1.26 -4.93 117.16 128.29 1q8o n TYR 133 Ca -0.20 -0.50 -0.57 0.00 -0.00 0.00 0.00 57.90 56.62 1q8o n TYR 133 Cb 0.50 -0.10 -0.09 0.00 -0.00 0.00 0.00 39.34 39.65 1q8o n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1q8o n ALA 134 N -0.64 0.26 0.00 -3.48 0.00 -1.26 -4.75 120.51 110.64 1q8o n ALA 134 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1q8o n ALA 134 Cb 0.69 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1q8o n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q8o n GLN 135 N 6.94 0.00 -0.05 0.00 1.13 -1.26 -0.74 117.38 123.39 1q8o n GLN 135 Ca 0.42 0.32 -0.12 0.00 -1.94 0.00 0.00 57.00 55.68 1q8o n GLN 135 Cb 0.08 -1.52 -0.14 0.00 0.11 0.00 0.00 30.24 28.77 1q8o n GLN 135 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1q8o n ASP 136 N -1.31 0.88 -0.11 1.08 5.75 -1.26 -4.25 116.55 117.33 1q8o n ASP 136 Ca 0.00 0.21 -0.22 0.00 -0.01 0.00 0.00 54.79 54.77 1q8o n ASP 136 Cb 0.02 0.11 -0.09 0.00 -1.03 0.00 0.00 41.12 40.14 1q8o n ASP 136 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1q8o n SER 137 N -3.04 1.81 -3.71 -1.12 3.41 -0.84 -4.62 113.62 105.52 1q8o n SER 137 Ca -0.26 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.11 1q8o n SER 137 Cb 1.08 -0.59 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1q8o n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q8o n ASN 138 N -3.79 7.07 0.20 4.04 5.03 0.08 -4.78 115.26 123.11 1q8o n ASN 138 Ca -0.43 -3.44 0.18 0.00 0.87 0.00 0.00 54.58 51.76 1q8o n ASN 138 Cb 0.84 -1.27 0.82 0.00 -1.02 0.00 0.00 39.78 39.16 1q8o n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1q8o h THR 139 N 2.74 0.30 0.00 3.41 1.35 -1.74 -1.53 112.91 117.43 1q8o h THR 139 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1q8o h THR 139 Cb 0.41 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1q8o h THR 139 CO 1.33 0.00 -0.12 4.11 -0.25 0.00 0.00 175.52 180.59 1q8o h TRP 140 N 0.00 0.00 -3.79 4.73 0.09 -1.92 -3.47 115.95 111.59 1q8o h TRP 140 Ca 0.10 0.00 -0.49 0.00 0.09 0.00 0.00 58.89 58.59 1q8o h TRP 140 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.95 1q8o h TRP 140 CO 0.00 0.00 0.17 -0.51 0.09 0.00 0.00 178.44 178.19 1q8o s ASP 141 N -5.23 6.54 0.74 0.11 1.01 -0.58 -4.77 116.67 114.50 1q8o s ASP 141 Ca 0.08 1.21 -0.11 0.00 0.71 0.00 0.00 52.55 54.45 1q8o s ASP 141 Cb 0.09 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.70 1q8o s ASP 141 CO 0.65 -0.44 1.08 -2.16 0.21 0.00 0.00 175.17 174.51 1q8o s PRO 142 N -3.91 2.52 -1.49 8.23 0.04 -1.26 -4.90 135.00 134.24 1q8o s PRO 142 Ca 0.53 1.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.49 1q8o s PRO 142 Cb -0.10 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1q8o s PRO 142 CO 0.32 -1.42 2.57 -1.71 0.04 0.00 0.00 177.00 176.80 1q8o n ASN 143 N -3.35 7.33 0.00 6.66 5.15 -1.26 -4.82 115.26 124.97 1q8o n ASN 143 Ca 0.08 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1q8o n ASN 143 Cb 0.54 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 1q8o n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q8o n TYR 144 N 3.59 0.00 -1.69 1.20 0.18 -1.26 -5.09 117.16 114.09 1q8o n TYR 144 Ca 0.66 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 60.03 1q8o n TYR 144 Cb 0.28 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.25 1q8o n TYR 144 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1q8o n PRO 145 N -0.17 1.81 -3.79 -3.48 -0.04 -1.26 -4.87 135.00 123.19 1q8o n PRO 145 Ca 0.00 0.64 -0.09 0.00 -0.04 0.00 0.00 63.50 64.02 1q8o n PRO 145 Cb 0.00 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 1q8o n PRO 145 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1q8o s HIS 146 N -1.22 -0.10 -0.15 0.54 -3.43 -0.56 -1.40 115.29 108.97 1q8o s HIS 146 Ca 0.62 -0.27 -0.04 0.00 -0.80 0.00 0.00 55.06 54.57 1q8o s HIS 146 Cb -0.51 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.07 1q8o s HIS 146 CO 0.57 -1.02 -0.02 0.42 -2.00 0.00 0.00 174.74 172.69 1q8o s ILE 147 N -3.90 4.05 0.06 -5.38 1.01 -0.74 -1.10 121.20 115.20 1q8o s ILE 147 Ca 0.11 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1q8o s ILE 147 Cb -0.02 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1q8o s ILE 147 CO 0.01 0.51 -0.07 -0.83 0.00 0.00 0.00 174.94 174.56 1q8o s GLY 148 N 0.18 0.60 -0.23 6.18 0.00 0.27 -1.67 107.32 112.64 1q8o s GLY 148 Ca -0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1q8o s GLY 148 CO 0.02 -1.08 0.04 -0.42 0.00 0.00 0.00 173.10 171.66 1q8o s ILE 149 N -2.36 4.11 -0.17 0.90 1.01 -0.17 -0.51 121.20 124.02 1q8o s ILE 149 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1q8o s ILE 149 Cb -0.03 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1q8o s ILE 149 CO -0.02 0.37 -0.00 -1.81 0.00 0.00 0.00 174.94 173.48 1q8o s ASP 150 N 1.42 5.04 -0.35 3.58 -0.00 0.10 -0.74 116.67 125.72 1q8o s ASP 150 Ca 0.05 -0.08 0.01 0.00 -0.00 0.00 0.00 52.55 52.53 1q8o s ASP 150 Cb -0.15 -1.84 0.11 0.00 -0.00 0.00 0.00 42.92 41.04 1q8o s ASP 150 CO 0.02 0.16 0.13 -0.69 -0.00 0.00 0.00 175.17 174.79 1q8o s VAL 151 N 0.44 1.28 -1.42 -1.27 1.01 -1.26 -1.06 120.40 118.13 1q8o s VAL 151 Ca -0.01 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1q8o s VAL 151 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1q8o s VAL 151 CO 0.02 -0.72 0.00 0.59 0.00 0.00 0.00 175.10 174.99 1q8o n ASN 152 N 4.40 -5.40 -3.56 3.32 3.02 -0.16 -4.90 115.26 111.97 1q8o n ASN 152 Ca 0.02 0.33 -0.17 0.00 -0.03 0.00 0.00 54.58 54.73 1q8o n ASN 152 Cb 0.40 -4.08 -0.06 0.00 -0.61 0.00 0.00 39.78 35.43 1q8o n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1q8o s SER 153 N -2.57 -0.66 0.23 6.41 0.15 -1.26 -3.50 113.70 112.49 1q8o s SER 153 Ca 0.00 0.91 0.25 0.00 0.70 0.00 0.00 55.95 57.81 1q8o s SER 153 Cb 0.00 0.80 0.90 0.00 -1.71 0.00 0.00 66.02 66.01 1q8o s SER 153 CO 0.00 -0.49 1.75 0.00 1.20 0.00 0.00 173.24 175.70 1q8o n ILE 154 N 1.47 0.70 -2.80 6.45 0.13 -0.15 -4.31 119.36 120.84 1q8o n ILE 154 Ca -0.18 -0.04 -0.43 0.00 -1.10 0.00 0.00 62.75 61.01 1q8o n ILE 154 Cb 0.56 -0.86 -0.03 0.00 -0.84 0.00 0.00 39.64 38.47 1q8o n ILE 154 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1q8o s ARG 155 N -3.20 3.24 0.22 9.51 3.52 -1.26 -4.92 118.95 126.05 1q8o s ARG 155 Ca 0.08 -0.91 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 1q8o s ARG 155 Cb 0.11 -4.42 -0.15 0.00 -1.56 0.00 0.00 34.95 28.93 1q8o s ARG 155 CO 0.50 -1.89 0.96 0.43 -0.81 0.00 0.00 175.30 174.49 1q8o n SER 156 N 7.88 0.72 0.05 -2.12 7.64 -1.26 -4.80 113.62 121.73 1q8o n SER 156 Ca 0.05 1.16 0.11 0.00 1.01 0.00 0.00 58.87 61.19 1q8o n SER 156 Cb 0.47 -1.18 0.46 0.00 -1.01 0.00 0.00 64.21 62.95 1q8o n SER 156 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1q8o n VAL 157 N 0.68 0.59 -3.64 0.44 0.24 0.08 -4.76 118.33 111.96 1q8o n VAL 157 Ca 0.14 0.07 -0.08 0.00 -2.04 0.00 0.00 64.34 62.43 1q8o n VAL 157 Cb 0.27 -0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 1q8o n VAL 157 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1q8o s LYS 158 N -3.09 0.52 0.06 7.34 2.20 -1.23 -5.01 119.74 120.53 1q8o s LYS 158 Ca 0.09 0.70 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 1q8o s LYS 158 Cb 0.13 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1q8o s LYS 158 CO 0.44 -0.08 -0.05 0.95 -0.36 0.00 0.00 175.35 176.25 1q8o s THR 159 N 0.64 0.43 0.01 3.43 -4.23 -1.26 -0.99 115.64 113.67 1q8o s THR 159 Ca -0.01 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1q8o s THR 159 Cb -0.05 -1.09 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 1q8o s THR 159 CO -0.09 -0.70 -0.05 0.68 -0.54 0.00 0.00 174.62 173.91 1q8o s VAL 160 N -2.69 0.41 0.36 2.29 -7.23 -0.67 -4.98 120.40 107.90 1q8o s VAL 160 Ca -0.00 -0.39 -0.28 0.00 -1.81 0.00 0.00 61.98 59.50 1q8o s VAL 160 Cb -0.01 -0.38 -0.12 0.00 0.56 0.00 0.00 36.38 36.43 1q8o s VAL 160 CO -0.04 0.01 1.42 1.17 -0.31 0.00 0.00 175.10 177.35 1q8o n LYS 161 N 2.65 2.48 -4.05 4.82 4.81 -1.26 -1.80 118.16 125.81 1q8o n LYS 161 Ca -0.15 0.87 -0.12 0.00 -0.87 0.00 0.00 58.31 58.04 1q8o n LYS 161 Cb 0.58 -2.55 -0.11 0.00 0.02 0.00 0.00 35.03 32.97 1q8o n LYS 161 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1q8o s TRP 162 N -1.09 0.60 -0.15 5.64 -0.00 -0.49 -4.75 118.94 118.69 1q8o s TRP 162 Ca 0.54 -0.55 -0.04 0.00 -0.00 0.00 0.00 56.10 56.04 1q8o s TRP 162 Cb -0.51 -0.37 -0.03 0.00 -0.00 0.00 0.00 33.47 32.56 1q8o s TRP 162 CO 0.63 -0.12 0.00 -0.51 -0.00 0.00 0.00 176.95 176.96 1q8o s ASP 163 N -1.70 5.18 -0.16 5.86 1.11 -1.26 -4.34 116.67 121.36 1q8o s ASP 163 Ca -0.09 0.01 -0.20 0.00 0.18 0.00 0.00 52.55 52.45 1q8o s ASP 163 Cb -0.08 -1.77 -0.03 0.00 1.07 0.00 0.00 42.92 42.11 1q8o s ASP 163 CO -0.01 0.22 0.59 -0.60 1.18 0.00 0.00 175.17 176.55 1q8o s ARG 164 N 0.04 4.27 -0.30 8.23 3.52 -1.26 -5.03 118.95 128.42 1q8o s ARG 164 Ca 0.02 0.58 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 1q8o s ARG 164 Cb -0.13 -3.52 0.09 0.00 -1.56 0.00 0.00 34.95 29.82 1q8o s ARG 164 CO 0.02 -0.09 0.01 1.03 -0.81 0.00 0.00 175.30 175.46 1q8o s ARG 165 N 1.41 1.52 0.10 5.12 0.52 -1.26 -5.09 118.95 121.26 1q8o s ARG 165 Ca 0.29 -1.48 -0.36 0.00 -0.52 0.00 0.00 55.73 53.65 1q8o s ARG 165 Cb -0.16 -2.84 -0.15 0.00 0.52 0.00 0.00 34.95 32.32 1q8o s ARG 165 CO 0.11 -0.82 1.46 -3.47 0.02 0.00 0.00 175.30 172.61 1q8o n ASP 166 N 4.46 2.29 0.00 0.23 2.03 -1.26 -1.50 116.55 122.80 1q8o n ASP 166 Ca -0.03 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1q8o n ASP 166 Cb 0.42 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1q8o n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q8o n GLY 167 N 2.99 0.18 3.59 0.27 0.00 0.13 -4.99 105.19 107.36 1q8o n GLY 167 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1q8o n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q8o s GLN 168 N -1.27 3.58 0.16 1.61 -0.21 -0.56 -4.95 119.66 118.01 1q8o s GLN 168 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.36 54.64 1q8o s GLN 168 Cb 0.00 -2.97 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 1q8o s GLN 168 CO 0.00 0.38 1.17 -1.12 -2.12 0.00 0.00 175.29 173.60 1q8o s SER 169 N 0.03 7.13 -0.17 5.90 0.01 -1.26 -4.49 113.70 120.85 1q8o s SER 169 Ca 0.02 2.15 -0.05 0.00 1.31 0.00 0.00 55.95 59.38 1q8o s SER 169 Cb -0.13 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1q8o s SER 169 CO 0.02 -0.35 -0.01 -0.22 0.41 0.00 0.00 173.24 173.08 1q8o s LEU 170 N 0.01 3.33 -0.19 2.44 2.96 0.26 -4.24 118.68 123.24 1q8o s LEU 170 Ca 0.53 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.21 1q8o s LEU 170 Cb -0.31 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1q8o s LEU 170 CO 0.34 0.14 0.18 0.20 -1.32 0.00 0.00 176.35 175.90 1q8o s ASN 171 N 0.56 6.26 -0.03 3.68 0.01 0.18 -2.25 114.94 123.35 1q8o s ASN 171 Ca -0.02 0.30 0.05 0.00 -0.71 0.00 0.00 52.86 52.48 1q8o s ASN 171 Cb -0.14 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 1q8o s ASN 171 CO 0.02 0.14 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.88 1q8o s VAL 172 N 0.49 1.47 -0.17 1.60 1.01 0.13 -0.17 120.40 124.75 1q8o s VAL 172 Ca 0.10 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1q8o s VAL 172 Cb -0.12 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1q8o s VAL 172 CO 0.00 0.42 -0.14 -0.22 0.00 0.00 0.00 175.10 175.16 1q8o s LEU 173 N -0.24 2.02 -0.20 3.92 2.96 0.68 -0.84 118.68 126.99 1q8o s LEU 173 Ca 0.03 -0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 1q8o s LEU 173 Cb -0.09 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1q8o s LEU 173 CO 0.01 -0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.19 1q8o s VAL 174 N 1.41 3.16 0.08 1.68 1.01 0.28 -1.40 120.40 126.62 1q8o s VAL 174 Ca 0.03 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1q8o s VAL 174 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1q8o s VAL 174 CO -0.10 0.46 -0.16 0.42 0.00 0.00 0.00 175.10 175.72 1q8o s THR 175 N 1.22 1.24 -0.09 3.92 -4.23 -0.27 -0.12 115.64 117.31 1q8o s THR 175 Ca 0.02 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 1q8o s THR 175 Cb -0.14 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.54 1q8o s THR 175 CO -0.03 -0.20 -0.09 0.12 -0.54 0.00 0.00 174.62 173.88 1q8o s PHE 176 N -1.27 1.42 -0.31 3.99 5.36 -0.18 -0.48 117.98 126.50 1q8o s PHE 176 Ca -0.00 -0.61 -0.06 0.00 -0.96 0.00 0.00 56.93 55.30 1q8o s PHE 176 Cb -0.10 -1.12 0.03 0.00 -0.34 0.00 0.00 43.02 41.49 1q8o s PHE 176 CO 0.03 -0.39 0.07 1.21 -1.46 0.00 0.00 175.22 174.69 1q8o s ASN 177 N 1.19 5.13 0.56 6.13 3.84 -0.85 -2.76 114.94 128.19 1q8o s ASN 177 Ca -0.05 -0.98 0.27 0.00 0.21 0.00 0.00 52.86 52.31 1q8o s ASN 177 Cb -0.14 -1.84 1.65 0.00 -0.55 0.00 0.00 41.25 40.36 1q8o s ASN 177 CO -0.02 -0.26 2.19 1.55 -2.79 0.00 0.00 177.10 177.77 1q8o h PRO 178 N 8.19 0.00 -0.08 0.43 0.13 -1.89 0.70 132.00 139.48 1q8o h PRO 178 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1q8o h PRO 178 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q8o h PRO 178 CO 0.59 0.04 -0.01 0.77 -0.23 0.00 0.00 178.00 179.17 1q8o h SER 179 N 0.00 0.15 0.27 1.44 0.02 -1.94 -3.24 113.55 110.26 1q8o h SER 179 Ca -0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1q8o h SER 179 Cb 0.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1q8o h SER 179 CO 0.00 0.44 -1.01 0.35 -1.14 0.00 0.00 176.83 175.48 1q8o n THR 180 N -4.83 0.07 -1.83 -2.27 -2.24 -1.13 -4.94 114.28 97.11 1q8o n THR 180 Ca -0.07 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1q8o n THR 180 Cb 0.20 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1q8o n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1q8o n ARG 181 N -1.76 -1.39 -3.03 -0.78 1.74 0.24 -4.85 116.66 106.83 1q8o n ARG 181 Ca 0.03 1.08 -0.40 0.00 -0.77 0.00 0.00 57.85 57.79 1q8o n ARG 181 Cb 0.40 -5.47 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 1q8o n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1q8o s ASN 182 N -2.57 6.92 -0.40 0.55 -0.87 -1.12 -0.82 114.94 116.63 1q8o s ASN 182 Ca 0.00 1.11 -0.12 0.00 -1.57 0.00 0.00 52.86 52.28 1q8o s ASN 182 Cb 0.00 -2.41 0.04 0.00 -0.02 0.00 0.00 41.25 38.86 1q8o s ASN 182 CO 0.00 -0.21 0.25 -0.22 -2.57 0.00 0.00 177.10 174.35 1q8o s LEU 183 N 1.32 4.95 -0.08 0.60 2.96 0.14 -2.00 118.68 126.58 1q8o s LEU 183 Ca 0.36 -1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 1q8o s LEU 183 Cb -0.17 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1q8o s LEU 183 CO 0.15 -0.45 0.05 -1.81 -1.32 0.00 0.00 176.35 172.97 1q8o s ASP 184 N 1.76 5.60 -0.11 3.68 1.01 0.36 -1.23 116.67 127.75 1q8o s ASP 184 Ca 0.03 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.52 1q8o s ASP 184 Cb -0.20 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.10 1q8o s ASP 184 CO 0.07 0.37 -0.11 -0.69 0.21 0.00 0.00 175.17 175.01 1q8o s VAL 185 N -0.97 1.23 -0.11 -1.27 1.01 0.28 -1.12 120.40 119.45 1q8o s VAL 185 Ca 0.15 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1q8o s VAL 185 Cb -0.12 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1q8o s VAL 185 CO 0.05 0.39 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 1q8o s VAL 186 N 1.27 1.00 -0.02 2.92 1.01 -0.49 -1.61 120.40 124.48 1q8o s VAL 186 Ca -0.02 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1q8o s VAL 186 Cb -0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1q8o s VAL 186 CO -0.04 0.36 -0.20 0.00 0.00 0.00 0.00 175.10 175.22 1q8o s ALA 187 N 1.69 1.69 0.02 5.51 0.00 -0.06 -0.23 121.76 130.38 1q8o s ALA 187 Ca 0.04 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1q8o s ALA 187 Cb -0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1q8o s ALA 187 CO -0.08 0.40 -0.04 0.95 0.00 0.00 0.00 175.76 177.00 1q8o s THR 188 N -0.42 0.21 0.28 0.00 -4.23 0.76 -0.39 115.64 111.84 1q8o s THR 188 Ca 0.07 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1q8o s THR 188 Cb -0.08 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 1q8o s THR 188 CO -0.00 -0.39 0.41 -0.31 -0.54 0.00 0.00 174.62 173.79 1q8o s TYR 189 N -1.22 3.36 0.03 3.99 1.51 -0.57 -0.65 117.35 123.81 1q8o s TYR 189 Ca -0.12 -0.04 0.21 0.00 -1.01 0.00 0.00 57.07 56.11 1q8o s TYR 189 Cb -0.09 -1.72 1.13 0.00 -0.11 0.00 0.00 41.96 41.17 1q8o s TYR 189 CO -0.01 0.28 1.60 0.66 -1.11 0.00 0.00 175.55 176.97 1q8o h SER 190 N 1.05 0.00 -0.15 2.29 4.64 -1.90 -1.00 113.55 118.47 1q8o h SER 190 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1q8o h SER 190 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1q8o h SER 190 CO 0.59 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 1q8o n ASP 191 N -2.30 1.91 0.00 4.97 5.75 -1.26 -4.91 116.55 120.72 1q8o n ASP 191 Ca -0.01 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1q8o n ASP 191 Cb 0.18 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1q8o n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q8o n GLY 192 N 1.20 0.62 3.70 6.12 0.00 -0.38 -5.03 105.19 111.41 1q8o n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1q8o n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q8o s THR 193 N -2.31 2.75 0.04 2.61 2.01 -1.25 -4.83 115.64 114.67 1q8o s THR 193 Ca 0.00 0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.42 1q8o s THR 193 Cb 0.00 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1q8o s THR 193 CO 0.00 0.01 -0.26 -0.60 -0.69 0.00 0.00 174.62 173.08 1q8o s ARG 194 N 2.28 1.78 -0.03 4.92 3.52 -1.26 -1.51 118.95 128.65 1q8o s ARG 194 Ca 0.75 -1.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 1q8o s ARG 194 Cb -0.43 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 1q8o s ARG 194 CO 0.33 0.50 -0.10 0.71 -0.81 0.00 0.00 175.30 175.94 1q8o s TYR 195 N -0.80 1.02 -0.00 5.12 1.51 0.47 -5.00 117.35 119.68 1q8o s TYR 195 Ca 0.11 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1q8o s TYR 195 Cb -0.10 -0.72 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 1q8o s TYR 195 CO 0.02 -0.10 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.12 1q8o s GLU 196 N 0.15 0.27 -0.14 -0.62 2.02 -1.26 -0.88 118.70 118.24 1q8o s GLU 196 Ca -0.03 -0.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.74 1q8o s GLU 196 Cb -0.09 -0.27 0.04 0.00 0.10 0.00 0.00 34.13 33.92 1q8o s GLU 196 CO 0.01 0.07 0.37 0.54 0.02 0.00 0.00 175.26 176.26 1q8o s VAL 197 N -0.06 -0.01 0.09 2.63 0.11 -0.63 -4.97 120.40 117.57 1q8o s VAL 197 Ca 0.01 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 1q8o s VAL 197 Cb -0.02 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1q8o s VAL 197 CO -0.00 0.02 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.12 1q8o s SER 198 N 0.64 1.55 -0.20 3.54 0.15 -1.26 -0.56 113.70 117.56 1q8o s SER 198 Ca -0.04 -0.77 -0.18 0.00 0.70 0.00 0.00 55.95 55.67 1q8o s SER 198 Cb -0.05 -0.01 0.05 0.00 -1.71 0.00 0.00 66.02 64.30 1q8o s SER 198 CO -0.04 -0.21 0.54 -0.47 1.20 0.00 0.00 173.24 174.26 1q8o s TYR 199 N -2.14 -0.62 -0.25 3.44 6.14 -0.36 -4.97 117.35 118.58 1q8o s TYR 199 Ca 0.04 1.47 -0.18 0.00 0.64 0.00 0.00 57.07 59.05 1q8o s TYR 199 Cb -0.05 0.23 -0.03 0.00 0.42 0.00 0.00 41.96 42.53 1q8o s TYR 199 CO 0.01 -0.30 0.50 -2.00 0.64 0.00 0.00 175.55 174.40 1q8o s GLU 200 N 0.42 4.09 -0.10 4.97 2.12 -1.26 0.27 118.70 129.21 1q8o s GLU 200 Ca -0.01 0.31 -0.07 0.00 0.36 0.00 0.00 54.97 55.56 1q8o s GLU 200 Cb -0.04 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.75 1q8o s GLU 200 CO -0.01 -0.30 0.25 0.54 -0.54 0.00 0.00 175.26 175.20 1q8o s VAL 201 N 2.15 -0.02 -0.58 3.70 0.11 0.00 -4.99 120.40 120.78 1q8o s VAL 201 Ca 0.21 0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 59.12 1q8o s VAL 201 Cb -0.16 -0.37 0.07 0.00 -1.53 0.00 0.00 36.38 34.39 1q8o s VAL 201 CO 0.09 0.03 0.80 -0.62 -3.33 0.00 0.00 175.10 172.06 1q8o s ASP 202 N 0.67 6.22 0.59 3.54 -1.08 -1.26 -4.72 116.67 120.63 1q8o s ASP 202 Ca -0.04 -0.96 0.33 0.00 -0.52 0.00 0.00 52.55 51.36 1q8o s ASP 202 Cb -0.06 -2.35 1.86 0.00 -1.46 0.00 0.00 42.92 40.91 1q8o s ASP 202 CO -0.04 -1.16 2.23 -0.37 0.52 0.00 0.00 175.17 176.35 1q8o h VAL 203 N 5.94 0.39 -0.00 1.11 -1.51 -1.96 -2.32 116.25 117.89 1q8o h VAL 203 Ca -0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1q8o h VAL 203 Cb 1.08 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1q8o h VAL 203 CO 1.08 0.03 0.00 0.03 -1.23 0.00 0.00 177.57 177.48 1q8o h ARG 204 N 0.00 0.00 -0.01 5.19 3.08 -1.90 -0.36 114.38 120.38 1q8o h ARG 204 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q8o h ARG 204 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1q8o h ARG 204 CO 0.00 0.00 -0.37 -1.13 -1.07 0.00 0.00 179.97 177.40 1q8o n SER 205 N -4.50 1.12 -0.06 7.04 3.41 -0.87 -4.39 113.62 115.36 1q8o n SER 205 Ca -0.03 -0.91 -0.08 0.00 -0.26 0.00 0.00 58.87 57.59 1q8o n SER 205 Cb 0.09 0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1q8o n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1q8o n VAL 206 N -0.71 0.75 -4.36 -3.33 0.31 -0.70 -5.06 118.33 105.23 1q8o n VAL 206 Ca 0.10 -0.33 -0.23 0.00 -0.01 0.00 0.00 64.34 63.87 1q8o n VAL 206 Cb 0.37 -0.91 -0.11 0.00 -0.91 0.00 0.00 33.84 32.28 1q8o n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1q8o s LEU 207 N -5.51 2.44 1.01 7.52 1.43 -0.23 -4.52 118.68 120.82 1q8o s LEU 207 Ca -0.15 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 51.97 1q8o s LEU 207 Cb 0.04 -0.92 0.20 0.00 0.03 0.00 0.00 46.19 45.53 1q8o s LEU 207 CO 0.34 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.86 1q8o s PRO 208 N -2.76 0.32 0.31 1.29 0.04 -1.26 -4.62 135.00 128.32 1q8o s PRO 208 Ca 0.17 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.77 1q8o s PRO 208 Cb -0.06 -1.72 0.48 0.00 0.04 0.00 0.00 34.50 33.23 1q8o s PRO 208 CO 0.08 -2.82 1.96 0.93 0.04 0.00 0.00 177.00 177.18 1q8o h GLU 209 N -1.96 1.00 -5.58 4.56 5.08 -1.95 -3.41 114.58 112.32 1q8o h GLU 209 Ca -0.55 -0.08 -0.66 0.00 -1.00 0.00 0.00 59.36 57.07 1q8o h GLU 209 Cb 1.33 -0.21 -0.23 0.00 0.50 0.00 0.00 28.75 30.13 1q8o h GLU 209 CO 0.57 0.69 -0.72 -1.58 -1.00 0.00 0.00 179.01 176.97 1q8o s TRP 210 N -5.78 2.90 0.27 4.33 0.52 -1.26 0.10 118.94 120.02 1q8o s TRP 210 Ca -0.11 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.69 1q8o s TRP 210 Cb 0.17 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1q8o s TRP 210 CO 0.79 0.00 0.23 0.14 0.02 0.00 0.00 176.95 178.13 1q8o s VAL 211 N 0.01 0.00 0.05 4.03 -7.23 -0.12 -4.23 120.40 112.91 1q8o s VAL 211 Ca -0.02 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1q8o s VAL 211 Cb -0.14 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1q8o s VAL 211 CO 0.03 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.48 1q8o s ARG 212 N -3.77 1.41 0.11 4.82 0.52 -0.43 0.58 118.95 122.19 1q8o s ARG 212 Ca 0.39 -1.01 0.09 0.00 -0.52 0.00 0.00 55.73 54.68 1q8o s ARG 212 Cb 0.04 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1q8o s ARG 212 CO 0.19 0.39 -0.17 0.14 0.02 0.00 0.00 175.30 175.88 1q8o s VAL 213 N -0.86 2.91 0.00 3.52 -7.23 -1.26 -1.95 120.40 115.53 1q8o s VAL 213 Ca 0.08 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1q8o s VAL 213 Cb -0.09 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1q8o s VAL 213 CO 0.02 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1q8o n GLY 214 N 0.83 0.77 3.26 2.32 0.00 -0.65 -1.70 105.19 110.02 1q8o n GLY 214 Ca -0.15 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1q8o n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q8o s PHE 215 N -2.33 1.49 0.02 1.61 0.40 -0.44 -0.34 117.98 118.39 1q8o s PHE 215 Ca 0.00 -0.55 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 1q8o s PHE 215 Cb 0.00 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 1q8o s PHE 215 CO 0.00 0.19 0.02 0.45 0.70 0.00 0.00 175.22 176.57 1q8o s SER 216 N -2.56 0.18 0.17 1.36 0.15 0.14 -1.63 113.70 111.51 1q8o s SER 216 Ca 0.11 -0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.13 1q8o s SER 216 Cb -0.05 0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1q8o s SER 216 CO 0.04 -0.33 0.55 0.00 1.20 0.00 0.00 173.24 174.70 1q8o s ALA 217 N -1.49 -1.30 0.02 5.45 0.00 -0.80 0.12 121.76 123.77 1q8o s ALA 217 Ca -0.15 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1q8o s ALA 217 Cb -0.09 0.84 0.09 0.00 0.00 0.00 0.00 23.12 23.96 1q8o s ALA 217 CO -0.00 -0.77 0.79 0.00 0.00 0.00 0.00 175.76 175.77 1q8o s ALA 218 N -3.80 -1.76 -0.02 0.00 0.00 -1.15 -2.08 121.76 112.94 1q8o s ALA 218 Ca 0.04 0.95 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1q8o s ALA 218 Cb -0.01 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1q8o s ALA 218 CO -0.09 -0.63 -0.01 -1.12 0.00 0.00 0.00 175.76 173.91 1q8o s SER 219 N -2.26 0.42 0.00 0.00 0.01 0.10 0.57 113.70 112.54 1q8o s SER 219 Ca 0.01 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1q8o s SER 219 Cb -0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1q8o s SER 219 CO -0.07 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1q8o n GLY 220 N 3.88 0.28 0.16 3.44 0.00 -1.26 -1.39 105.19 110.30 1q8o n GLY 220 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1q8o n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q8o h GLU 221 N 0.00 0.35 -6.11 1.61 5.08 -1.97 0.11 114.58 113.64 1q8o h GLU 221 Ca 0.00 -0.31 -0.58 0.00 -1.00 0.00 0.00 59.36 57.47 1q8o h GLU 221 Cb 0.00 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1q8o h GLU 221 CO 0.00 0.97 -0.37 -0.65 -1.00 0.00 0.00 179.01 177.96 1q8o s GLN 222 N -3.48 3.55 0.21 2.33 1.11 -1.26 -4.82 119.66 117.29 1q8o s GLN 222 Ca -0.05 -0.25 -0.04 0.00 0.01 0.00 0.00 55.36 55.03 1q8o s GLN 222 Cb 0.10 -2.90 -0.03 0.00 -1.01 0.00 0.00 33.01 29.17 1q8o s GLN 222 CO 0.84 0.49 0.22 1.52 0.01 0.00 0.00 175.29 178.36 1q8o s TYR 223 N -1.67 0.96 -0.24 0.91 1.13 -1.25 -4.21 117.35 112.98 1q8o s TYR 223 Ca 0.39 -1.21 -0.35 0.00 -1.41 0.00 0.00 57.07 54.48 1q8o s TYR 223 Cb -0.12 -0.37 0.15 0.00 -1.10 0.00 0.00 41.96 40.52 1q8o s TYR 223 CO 0.27 -0.73 1.29 1.14 -2.51 0.00 0.00 175.55 175.01 1q8o s GLN 224 N -4.12 0.18 0.33 -3.49 -2.07 -1.11 -3.59 119.66 105.78 1q8o s GLN 224 Ca 0.35 -0.05 -0.22 0.00 -1.82 0.00 0.00 55.36 53.62 1q8o s GLN 224 Cb 0.05 0.08 -0.10 0.00 -1.09 0.00 0.00 33.01 31.96 1q8o s GLN 224 CO 0.11 -0.07 0.87 0.95 -1.32 0.00 0.00 175.29 175.83 1q8o s THR 225 N -2.03 4.39 -0.43 3.63 -4.23 -0.01 -4.85 115.64 112.10 1q8o s THR 225 Ca 0.10 1.52 0.03 0.00 -1.18 0.00 0.00 61.69 62.16 1q8o s THR 225 Cb -0.01 -3.83 0.12 0.00 1.34 0.00 0.00 72.50 70.12 1q8o s THR 225 CO -0.04 0.01 0.18 -1.00 -0.54 0.00 0.00 174.62 173.23 1q8o s HIS 226 N -1.77 2.88 -0.38 3.99 0.09 -1.26 -3.09 115.29 115.76 1q8o s HIS 226 Ca 0.52 -2.79 -0.13 0.00 -0.00 0.00 0.00 55.06 52.65 1q8o s HIS 226 Cb -0.15 -2.50 0.01 0.00 -0.00 0.00 0.00 32.58 29.93 1q8o s HIS 226 CO 0.20 -0.82 0.26 0.99 -0.00 0.00 0.00 174.74 175.36 1q8o s THR 227 N 0.39 5.13 -0.34 1.30 2.01 -0.70 -1.47 115.64 121.95 1q8o s THR 227 Ca 0.15 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 1q8o s THR 227 Cb -0.23 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1q8o s THR 227 CO -0.05 -0.18 0.85 -0.22 -0.69 0.00 0.00 174.62 174.34 1q8o s LEU 228 N 1.67 4.06 -0.10 4.42 2.96 -0.13 -1.66 118.68 129.89 1q8o s LEU 228 Ca 0.05 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 1q8o s LEU 228 Cb -0.18 -3.16 -0.24 0.00 0.50 0.00 0.00 46.19 43.11 1q8o s LEU 228 CO 0.09 -0.74 0.42 -0.62 -1.32 0.00 0.00 176.35 174.19 1q8o n GLU 229 N 6.48 0.69 -3.64 1.98 1.02 0.14 -1.20 120.64 126.11 1q8o n GLU 229 Ca 0.05 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 1q8o n GLU 229 Cb 0.48 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 1q8o n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1q8o s SER 230 N -6.42 -0.31 -0.29 1.62 1.04 -1.18 -4.28 113.70 103.88 1q8o s SER 230 Ca -0.14 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 1q8o s SER 230 Cb 0.07 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.87 1q8o s SER 230 CO 0.79 -0.96 0.87 0.86 0.98 0.00 0.00 173.24 175.77 1q8o s TRP 231 N -3.82 -0.80 -0.01 5.02 -0.00 -0.41 -2.43 118.94 116.49 1q8o s TRP 231 Ca 0.05 1.54 0.04 0.00 -0.00 0.00 0.00 56.10 57.74 1q8o s TRP 231 Cb 0.00 0.48 -0.01 0.00 -0.00 0.00 0.00 33.47 33.94 1q8o s TRP 231 CO -0.08 -0.39 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.79 1q8o s SER 232 N 1.69 1.65 -0.00 5.86 1.04 0.44 0.11 113.70 124.49 1q8o s SER 232 Ca -0.08 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.09 1q8o s SER 232 Cb -0.05 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 1q8o s SER 232 CO -0.17 0.17 0.00 0.12 0.98 0.00 0.00 173.24 174.35 1q8o s PHE 233 N -0.32 0.03 -0.11 5.02 2.19 0.48 -0.95 117.98 124.33 1q8o s PHE 233 Ca 0.05 -0.06 -0.09 0.00 0.33 0.00 0.00 56.93 57.17 1q8o s PHE 233 Cb -0.06 -0.03 0.04 0.00 -1.31 0.00 0.00 43.02 41.67 1q8o s PHE 233 CO -0.00 -0.03 0.29 -0.08 1.83 0.00 0.00 175.22 177.22 1q8o s THR 234 N -0.22 -0.01 -0.03 0.12 -1.32 -0.57 -0.80 115.64 112.81 1q8o s THR 234 Ca -0.02 0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.45 1q8o s THR 234 Cb -0.02 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1q8o s THR 234 CO -0.00 0.02 0.12 -0.94 -2.21 0.00 0.00 174.62 171.61 1q8o s SER 235 N 0.56 -0.06 -0.12 8.08 1.04 0.52 -0.83 113.70 122.89 1q8o s SER 235 Ca -0.03 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 1q8o s SER 235 Cb -0.05 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.36 1q8o s SER 235 CO -0.03 -0.15 0.27 0.28 0.98 0.00 0.00 173.24 174.59 1q8o s THR 236 N -0.44 -0.04 0.17 2.02 -1.32 -0.63 -0.72 115.64 114.68 1q8o s THR 236 Ca -0.05 0.14 -0.31 0.00 -1.21 0.00 0.00 61.69 60.26 1q8o s THR 236 Cb -0.03 -0.42 -0.09 0.00 -1.51 0.00 0.00 72.50 70.45 1q8o s THR 236 CO 0.00 0.06 1.38 -0.76 -2.21 0.00 0.00 174.62 173.09 1q8o s LEU 237 N 1.26 4.39 0.07 9.08 1.43 -0.18 -1.18 118.68 133.55 1q8o s LEU 237 Ca -0.09 2.43 0.05 0.00 -1.03 0.00 0.00 54.13 55.49 1q8o s LEU 237 Cb -0.10 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1q8o s LEU 237 CO -0.09 -0.63 -0.13 -0.76 0.23 0.00 0.00 176.35 174.97 1q8o s LEU 238 N 0.44 2.30 0.37 1.79 1.43 -0.65 -4.93 118.68 119.43 1q8o s LEU 238 Ca 0.61 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 1q8o s LEU 238 Cb -0.38 -0.45 -0.09 0.00 0.03 0.00 0.00 46.19 45.30 1q8o s LEU 238 CO 0.35 -0.12 1.16 -0.31 0.23 0.00 0.00 176.35 177.67 1q8o s TYR 239 N -1.46 3.16 -0.03 0.29 2.02 -1.26 -1.93 117.35 118.14 1q8o s TYR 239 Ca -0.02 1.57 0.02 0.00 -0.37 0.00 0.00 57.07 58.27 1q8o s TYR 239 Cb -0.09 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.09 1q8o s TYR 239 CO 0.02 -1.21 -0.06 0.99 -1.57 0.00 0.00 175.55 173.72 1q8o s THR 240 N -1.36 0.58 0.00 -0.71 2.01 -1.25 -4.91 115.64 110.00 1q8o s THR 240 Ca 0.54 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1q8o s THR 240 Cb -0.31 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1q8o s THR 240 CO 0.40 0.20 0.00 0.00 -0.69 0.00 0.00 174.62 174.53