#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq9 s VAL 4 N 0.00 0.71 -0.03 0.58 -7.23 -1.21 -4.70 120.40 108.52 1sq9 s VAL 4 Ca 0.00 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1sq9 s VAL 4 Cb 0.00 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1sq9 s VAL 4 CO 0.00 -0.38 -0.17 -0.36 -0.31 0.00 0.00 175.10 173.88 1sq9 s PHE 5 N -3.64 1.58 -0.02 2.82 0.40 -1.26 -0.89 117.98 116.97 1sq9 s PHE 5 Ca 0.27 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.27 1sq9 s PHE 5 Cb 0.06 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 1sq9 s PHE 5 CO 0.06 -0.08 -0.14 -1.50 0.70 0.00 0.00 175.22 174.26 1sq9 s ILE 6 N -0.21 1.15 0.36 0.64 2.07 0.30 -4.91 121.20 120.61 1sq9 s ILE 6 Ca 0.02 -0.60 -0.28 0.00 -1.41 0.00 0.00 60.65 58.38 1sq9 s ILE 6 Cb -0.09 -0.97 -0.11 0.00 0.13 0.00 0.00 42.46 41.42 1sq9 s ILE 6 CO 0.00 0.33 1.50 0.00 -1.91 0.00 0.00 174.94 174.86 1sq9 s ALA 7 N -0.19 3.59 -0.02 1.50 0.00 -1.26 -0.68 121.76 124.71 1sq9 s ALA 7 Ca 0.02 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1sq9 s ALA 7 Cb -0.07 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1sq9 s ALA 7 CO 0.00 -1.04 -0.00 0.25 0.00 0.00 0.00 175.76 174.97 1sq9 n THR 8 N 0.69 0.11 -3.52 0.00 -2.24 0.29 -4.84 114.28 104.77 1sq9 n THR 8 Ca 0.02 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1sq9 n THR 8 Cb 0.39 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1sq9 n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sq9 s ALA 9 N -2.04 -1.82 0.24 6.98 0.00 -1.18 -4.93 121.76 119.01 1sq9 s ALA 9 Ca -0.02 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 1sq9 s ALA 9 Cb 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1sq9 s ALA 9 CO 0.05 -0.46 0.52 0.54 0.00 0.00 0.00 175.76 176.41 1sq9 s ASN 10 N -1.59 -0.15 -0.05 0.00 2.20 -1.26 -0.62 114.94 113.46 1sq9 s ASN 10 Ca -0.03 -0.78 -0.02 0.00 -0.94 0.00 0.00 52.86 51.09 1sq9 s ASN 10 Cb -0.00 0.60 0.04 0.00 -2.00 0.00 0.00 41.25 39.88 1sq9 s ASN 10 CO 0.01 -1.14 0.09 0.00 -2.94 0.00 0.00 177.10 173.12 1sq9 s ALA 11 N -3.97 0.06 0.41 3.54 0.00 -0.15 -4.66 121.76 116.99 1sq9 s ALA 11 Ca 0.17 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1sq9 s ALA 11 Cb -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1sq9 s ALA 11 CO 0.06 -0.45 0.64 0.20 0.00 0.00 0.00 175.76 176.21 1sq9 s GLY 12 N 2.02 1.46 -1.58 0.00 0.00 -1.26 -1.61 107.32 106.34 1sq9 s GLY 12 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.78 1sq9 s GLY 12 CO -0.04 -0.77 0.31 0.28 0.00 0.00 0.00 173.10 172.88 1sq9 n LYS 13 N -1.99 -1.86 0.20 2.90 5.02 -0.71 -4.82 118.16 116.89 1sq9 n LYS 13 Ca -0.01 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.58 1sq9 n LYS 13 Cb 0.57 -4.22 0.35 0.00 -0.02 0.00 0.00 35.03 31.71 1sq9 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sq9 h ALA 14 N 0.83 0.95 -2.37 7.82 0.00 -0.84 -3.45 119.26 122.20 1sq9 h ALA 14 Ca -0.63 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 53.75 1sq9 h ALA 14 Cb 1.39 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 1sq9 h ALA 14 CO 0.72 0.36 -0.64 -1.01 0.00 0.00 0.00 179.25 178.68 1sq9 s HIS 15 N -3.50 1.19 -2.52 0.00 3.76 -1.26 -5.06 115.29 107.90 1sq9 s HIS 15 Ca 0.01 -1.16 0.25 0.00 -0.15 0.00 0.00 55.06 54.01 1sq9 s HIS 15 Cb 0.10 -0.67 0.76 0.00 1.11 0.00 0.00 32.58 33.88 1sq9 s HIS 15 CO 0.66 -0.38 1.57 -0.25 -0.85 0.00 0.00 174.74 175.50 1sq9 n ASP 16 N -0.26 2.00 -2.50 1.40 8.00 -1.26 -4.93 116.55 119.00 1sq9 n ASP 16 Ca -0.04 -1.69 -0.10 0.00 0.71 0.00 0.00 54.79 53.67 1sq9 n ASP 16 Cb 0.64 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1sq9 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sq9 n ALA 17 N 0.55 -0.43 -1.60 2.24 0.00 -1.26 -4.92 120.51 115.08 1sq9 n ALA 17 Ca 0.17 -1.19 -0.48 0.00 0.00 0.00 0.00 53.44 51.94 1sq9 n ALA 17 Cb 0.41 0.96 -0.04 0.00 0.00 0.00 0.00 19.45 20.79 1sq9 n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sq9 n ASP 18 N -1.69 1.59 -4.30 0.00 8.00 -1.26 -4.54 116.55 114.35 1sq9 n ASP 18 Ca -0.01 1.14 -0.46 0.00 0.71 0.00 0.00 54.79 56.18 1sq9 n ASP 18 Cb 0.45 -1.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.24 1sq9 n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sq9 s ILE 19 N -0.22 5.20 -0.25 0.53 1.01 -1.26 -0.86 121.20 125.34 1sq9 s ILE 19 Ca 0.71 -1.82 0.19 0.00 0.00 0.00 0.00 60.65 59.73 1sq9 s ILE 19 Cb -0.81 -4.30 0.12 0.00 0.01 0.00 0.00 42.46 37.49 1sq9 s ILE 19 CO 0.52 -0.90 1.39 -0.26 0.00 0.00 0.00 174.94 175.69 1sq9 h PHE 20 N 8.52 0.00 -2.99 3.97 0.04 -1.74 -3.42 116.94 121.31 1sq9 h PHE 20 Ca -0.18 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.49 1sq9 h PHE 20 Cb 1.08 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.04 1sq9 h PHE 20 CO 0.80 0.30 -0.19 0.45 -0.60 0.00 0.00 178.31 179.07 1sq9 s SER 21 N -6.20 -0.24 -0.10 2.17 0.15 -1.25 -4.45 113.70 103.79 1sq9 s SER 21 Ca 0.04 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.66 1sq9 s SER 21 Cb 0.07 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1sq9 s SER 21 CO 0.73 -0.54 0.29 0.54 1.20 0.00 0.00 173.24 175.47 1sq9 s VAL 22 N -1.77 0.00 0.12 4.45 0.11 -1.26 -2.10 120.40 119.94 1sq9 s VAL 22 Ca -0.10 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1sq9 s VAL 22 Cb -0.03 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1sq9 s VAL 22 CO 0.02 -0.02 0.10 -0.24 -3.33 0.00 0.00 175.10 171.63 1sq9 n SER 23 N 2.82 -0.26 -3.54 3.54 2.88 0.20 -4.73 113.62 114.53 1sq9 n SER 23 Ca -0.13 -1.77 -0.08 0.00 -1.33 0.00 0.00 58.87 55.57 1sq9 n SER 23 Cb 0.58 0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 64.62 1sq9 n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sq9 s ALA 24 N -2.46 -1.80 0.33 -1.46 0.00 -1.26 -0.76 121.76 114.35 1sq9 s ALA 24 Ca 0.14 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.01 1sq9 s ALA 24 Cb 0.01 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 1sq9 s ALA 24 CO 0.10 -0.75 0.36 0.00 0.00 0.00 0.00 175.76 175.47 1sq9 h ASN 26 N 1.93 -0.58 0.22 0.00 -1.24 -1.94 -2.97 115.58 111.01 1sq9 h ASN 26 Ca -0.24 0.10 -0.10 0.00 0.71 0.00 0.00 56.30 56.76 1sq9 h ASN 26 Cb 1.14 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.44 1sq9 h ASN 26 CO 0.34 -0.24 -0.40 -1.28 -1.29 0.00 0.00 177.43 174.56 1sq9 h SER 27 N -0.26 0.24 -5.01 1.15 0.87 -1.98 -3.43 113.55 105.14 1sq9 h SER 27 Ca 0.09 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1sq9 h SER 27 Cb 0.38 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.19 1sq9 h SER 27 CO -0.25 0.62 0.27 0.72 -0.53 0.00 0.00 176.83 177.67 1sq9 s PHE 28 N -4.17 -0.32 -0.07 2.24 -0.12 -1.12 -1.65 117.98 112.77 1sq9 s PHE 28 Ca -0.04 -0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 56.77 1sq9 s PHE 28 Cb 0.13 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 43.12 1sq9 s PHE 28 CO 0.77 -1.00 0.16 0.99 -0.05 0.00 0.00 175.22 176.09 1sq9 s THR 29 N -3.73 5.47 -0.05 -4.49 2.01 0.15 -0.79 115.64 114.22 1sq9 s THR 29 Ca 0.07 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1sq9 s THR 29 Cb -0.03 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1sq9 s THR 29 CO -0.02 0.50 -0.09 0.54 -0.69 0.00 0.00 174.62 174.86 1sq9 s VAL 30 N -1.15 0.85 0.26 3.82 0.11 0.06 0.52 120.40 124.87 1sq9 s VAL 30 Ca 0.20 -0.33 0.11 0.00 -2.93 0.00 0.00 61.98 59.04 1sq9 s VAL 30 Cb -0.12 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1sq9 s VAL 30 CO 0.10 0.29 -0.19 -0.94 -3.33 0.00 0.00 175.10 171.03 1sq9 s SER 31 N 0.65 3.39 0.08 3.54 1.04 -0.25 -0.63 113.70 121.52 1sq9 s SER 31 Ca -0.11 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.30 1sq9 s SER 31 Cb -0.14 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1sq9 s SER 31 CO 0.02 0.00 -0.06 0.00 0.98 0.00 0.00 173.24 174.18 1sq9 s SER 33 N -2.84 0.28 0.00 0.00 0.15 -0.78 -2.50 113.70 108.02 1sq9 s SER 33 Ca 0.08 -1.02 0.12 0.00 0.70 0.00 0.00 55.95 55.83 1sq9 s SER 33 Cb 0.04 0.30 0.53 0.00 -1.71 0.00 0.00 66.02 65.18 1sq9 s SER 33 CO -0.05 -0.73 1.37 0.61 1.20 0.00 0.00 173.24 175.64 1sq9 n GLY 34 N -0.06 -0.88 0.11 9.45 0.00 -0.04 -0.09 105.19 113.68 1sq9 n GLY 34 Ca -0.09 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1sq9 n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sq9 n ASP 35 N -1.47 0.40 0.00 1.61 5.68 -1.26 -3.91 116.55 117.60 1sq9 n ASP 35 Ca 0.03 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 1sq9 n ASP 35 Cb 0.13 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1sq9 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sq9 n GLY 36 N 1.22 0.74 3.65 6.12 0.00 -0.37 -4.73 105.19 111.83 1sq9 n GLY 36 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1sq9 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sq9 s TYR 37 N -2.24 2.86 0.03 1.61 1.51 -1.25 -0.53 117.35 119.35 1sq9 s TYR 37 Ca 0.00 -0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1sq9 s TYR 37 Cb 0.00 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1sq9 s TYR 37 CO 0.00 0.48 0.14 -0.51 -1.11 0.00 0.00 175.55 174.56 1sq9 s LEU 38 N -2.56 4.12 -0.05 -1.29 1.43 -0.40 -1.86 118.68 118.08 1sq9 s LEU 38 Ca 0.25 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1sq9 s LEU 38 Cb -0.10 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1sq9 s LEU 38 CO 0.17 0.22 -0.08 -0.54 0.23 0.00 0.00 176.35 176.35 1sq9 s LYS 39 N -2.16 1.14 -0.18 1.70 1.02 -0.49 -1.32 119.74 119.46 1sq9 s LYS 39 Ca 0.29 -0.25 -0.05 0.00 0.02 0.00 0.00 55.97 55.97 1sq9 s LYS 39 Cb -0.12 -1.03 -0.03 0.00 -0.52 0.00 0.00 37.83 36.12 1sq9 s LYS 39 CO 0.21 0.00 0.01 0.08 -0.92 0.00 0.00 175.35 174.74 1sq9 s VAL 40 N 0.64 4.27 -0.24 3.17 1.01 0.16 -1.09 120.40 128.33 1sq9 s VAL 40 Ca -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1sq9 s VAL 40 Cb -0.13 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1sq9 s VAL 40 CO 0.01 0.46 -0.08 0.26 0.00 0.00 0.00 175.10 175.76 1sq9 s TRP 41 N 0.51 3.03 0.19 5.22 0.52 0.19 -1.17 118.94 127.42 1sq9 s TRP 41 Ca -0.00 -1.54 -0.33 0.00 0.02 0.00 0.00 56.10 54.25 1sq9 s TRP 41 Cb -0.14 -2.04 -0.13 0.00 -1.15 0.00 0.00 33.47 30.01 1sq9 s TRP 41 CO 0.02 -0.73 1.62 -3.47 0.02 0.00 0.00 176.95 174.41 1sq9 n ASP 42 N 4.66 3.41 0.06 2.95 4.64 -0.96 -0.67 116.55 130.64 1sq9 n ASP 42 Ca -0.17 1.08 0.12 0.00 -1.38 0.00 0.00 54.79 54.44 1sq9 n ASP 42 Cb 0.48 -1.48 0.17 0.00 -1.04 0.00 0.00 41.12 39.24 1sq9 n ASP 42 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 1sq9 h ASN 43 N 6.02 0.00 -2.37 1.67 2.35 -1.60 -3.40 115.58 118.25 1sq9 h ASN 43 Ca -0.44 -0.21 -0.72 0.00 -0.55 0.00 0.00 56.30 54.38 1sq9 h ASN 43 Cb 1.24 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.43 1sq9 h ASN 43 CO 0.90 0.10 1.02 -0.54 -1.65 0.00 0.00 177.43 177.27 1sq9 s LYS 44 N -3.17 3.82 -0.18 0.81 -0.14 -1.26 -1.54 119.74 118.08 1sq9 s LYS 44 Ca 0.06 -2.16 -0.04 0.00 -1.36 0.00 0.00 55.97 52.47 1sq9 s LYS 44 Cb 0.13 -4.96 -0.02 0.00 -1.68 0.00 0.00 37.83 31.30 1sq9 s LYS 44 CO 0.72 -1.74 -0.04 -1.17 -0.76 0.00 0.00 175.35 172.36 1sq9 s LEU 45 N 2.06 3.10 0.48 3.17 2.96 -1.20 -4.97 118.68 124.28 1sq9 s LEU 45 Ca 0.36 -0.23 -0.22 0.00 -0.22 0.00 0.00 54.13 53.82 1sq9 s LEU 45 Cb -0.04 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.82 1sq9 s LEU 45 CO -0.05 0.10 1.14 -0.76 -1.32 0.00 0.00 176.35 175.45 1sq9 s LEU 46 N 0.76 3.95 0.21 -0.68 1.02 -1.26 -3.55 118.68 119.13 1sq9 s LEU 46 Ca -0.02 2.22 -0.31 0.00 0.02 0.00 0.00 54.13 56.05 1sq9 s LEU 46 Cb -0.15 -4.34 -0.15 0.00 0.02 0.00 0.00 46.19 41.57 1sq9 s LEU 46 CO 0.02 -0.94 1.12 0.47 0.02 0.00 0.00 176.35 177.03 1sq9 n ASP 47 N -0.68 1.36 0.00 2.29 8.00 -1.26 -1.08 116.55 125.18 1sq9 n ASP 47 Ca 0.08 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1sq9 n ASP 47 Cb 0.49 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1sq9 n ASP 47 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sq9 n ASN 48 N 1.77 -4.59 -4.77 -2.24 3.02 -1.26 -4.96 115.26 102.24 1sq9 n ASN 48 Ca 0.13 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 1sq9 n ASN 48 Cb 0.27 -2.80 -0.06 0.00 -0.61 0.00 0.00 39.78 36.58 1sq9 n ASN 48 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1sq9 s GLU 49 N -1.50 4.69 -0.35 3.52 2.12 -0.24 -5.00 118.70 121.94 1sq9 s GLU 49 Ca 0.00 1.39 -0.29 0.00 0.36 0.00 0.00 54.97 56.44 1sq9 s GLU 49 Cb 0.00 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1sq9 s GLU 49 CO 0.00 0.37 1.29 1.21 -0.54 0.00 0.00 175.26 177.59 1sq9 s ASN 50 N -1.44 6.61 0.37 -1.70 3.84 -1.26 -4.91 114.94 116.46 1sq9 s ASN 50 Ca 0.47 1.01 0.18 0.00 0.21 0.00 0.00 52.86 54.72 1sq9 s ASN 50 Cb -0.22 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 39.07 1sq9 s ASN 50 CO 0.27 -1.16 1.69 -0.65 -2.79 0.00 0.00 177.10 174.46 1sq9 h PRO 51 N 9.49 0.32 -0.24 0.43 0.11 -1.95 0.59 132.00 140.76 1sq9 h PRO 51 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1sq9 h PRO 51 Cb 1.09 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1sq9 h PRO 51 CO 1.06 0.21 0.10 0.87 -0.21 0.00 0.00 178.00 180.03 1sq9 h LYS 52 N 0.33 0.33 -0.99 1.05 1.57 -1.90 -2.19 116.57 114.78 1sq9 h LYS 52 Ca 0.70 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.53 1sq9 h LYS 52 Cb 1.74 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.91 1sq9 h LYS 52 CO -0.47 0.28 0.63 -0.44 -0.57 0.00 0.00 179.45 178.88 1sq9 h ASP 53 N 0.34 0.99 -2.04 0.86 3.45 -0.20 -2.51 116.42 117.29 1sq9 h ASP 53 Ca 0.09 0.02 -0.69 0.00 0.43 0.00 0.00 57.03 56.87 1sq9 h ASP 53 Cb 0.07 -0.19 -0.35 0.00 -0.56 0.00 0.00 39.33 38.30 1sq9 h ASP 53 CO -0.01 0.61 0.18 0.29 -1.57 0.00 0.00 179.24 178.74 1sq9 n LYS 54 N -4.52 3.79 -4.30 3.56 5.02 -0.83 -4.97 118.16 115.90 1sq9 n LYS 54 Ca 0.16 -4.44 -0.22 0.00 -2.02 0.00 0.00 58.31 51.79 1sq9 n LYS 54 Cb 0.23 -2.31 -0.13 0.00 -0.02 0.00 0.00 35.03 32.80 1sq9 n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sq9 s SER 55 N -2.37 2.16 -0.03 4.39 1.04 -0.95 -2.26 113.70 115.68 1sq9 s SER 55 Ca 0.47 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1sq9 s SER 55 Cb 0.32 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1sq9 s SER 55 CO -0.21 0.03 -0.06 -0.31 0.98 0.00 0.00 173.24 173.67 1sq9 s TYR 56 N -1.11 0.74 0.01 5.02 1.51 -0.32 -4.96 117.35 118.25 1sq9 s TYR 56 Ca 0.03 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1sq9 s TYR 56 Cb -0.10 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1sq9 s TYR 56 CO 0.03 -0.14 0.10 0.45 -1.11 0.00 0.00 175.55 174.88 1sq9 s SER 57 N 0.57 5.75 -0.14 2.29 0.15 -1.26 -0.66 113.70 120.40 1sq9 s SER 57 Ca -0.08 0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.66 1sq9 s SER 57 Cb -0.11 -1.65 0.07 0.00 -1.71 0.00 0.00 66.02 62.61 1sq9 s SER 57 CO 0.00 0.25 0.28 -2.28 1.20 0.00 0.00 173.24 172.69 1sq9 s HIS 58 N -1.26 -0.46 0.16 3.44 2.46 -0.43 -5.00 115.29 114.20 1sq9 s HIS 58 Ca 0.25 1.03 -0.30 0.00 0.47 0.00 0.00 55.06 56.51 1sq9 s HIS 58 Cb -0.12 0.02 -0.07 0.00 -0.13 0.00 0.00 32.58 32.28 1sq9 s HIS 58 CO 0.16 -0.36 1.16 0.12 -2.47 0.00 0.00 174.74 173.36 1sq9 s PHE 59 N 2.28 3.49 0.02 3.88 5.36 -1.26 -1.27 117.98 130.47 1sq9 s PHE 59 Ca -0.01 1.47 -0.02 0.00 -0.96 0.00 0.00 56.93 57.40 1sq9 s PHE 59 Cb -0.12 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1sq9 s PHE 59 CO -0.09 -1.00 -0.05 0.28 -1.46 0.00 0.00 175.22 172.90 1sq9 n VAL 60 N 2.71 0.85 -3.66 3.12 0.31 0.31 -4.95 118.33 117.03 1sq9 n VAL 60 Ca 0.05 0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1sq9 n VAL 60 Cb 0.45 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.66 1sq9 n VAL 60 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1sq9 s HIS 61 N -2.11 -0.79 0.62 3.52 5.65 -1.10 -5.04 115.29 116.05 1sq9 s HIS 61 Ca -0.05 1.73 0.34 0.00 0.25 0.00 0.00 55.06 57.34 1sq9 s HIS 61 Cb 0.01 0.37 1.96 0.00 -1.18 0.00 0.00 32.58 33.75 1sq9 s HIS 61 CO 0.07 -0.40 2.22 1.57 -0.65 0.00 0.00 174.74 177.55 1sq9 h LYS 62 N 6.17 0.00 0.00 2.88 2.10 -1.88 -1.49 116.57 124.35 1sq9 h LYS 62 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1sq9 h LYS 62 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1sq9 h LYS 62 CO 0.17 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.49 1sq9 n SER 63 N -3.49 0.11 0.00 7.07 3.41 -1.26 -4.76 113.62 114.70 1sq9 n SER 63 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1sq9 n SER 63 Cb 0.17 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1sq9 n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sq9 n GLY 64 N 0.68 1.17 3.28 5.00 0.00 -0.56 -4.18 105.19 110.58 1sq9 n GLY 64 Ca 0.05 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1sq9 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq9 s LEU 65 N -0.87 2.06 -0.00 0.99 1.43 0.87 -1.50 118.68 121.66 1sq9 s LEU 65 Ca 0.00 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1sq9 s LEU 65 Cb 0.00 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 1sq9 s LEU 65 CO 0.00 0.27 0.03 0.00 0.23 0.00 0.00 176.35 176.88 1sq9 n HIS 66 N 2.77 0.00 -3.87 0.29 1.44 -0.49 -3.69 115.22 111.68 1sq9 n HIS 66 Ca -0.17 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.42 1sq9 n HIS 66 Cb 0.52 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.47 1sq9 n HIS 66 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1sq9 s HIS 67 N -1.62 0.00 -0.02 -1.40 3.76 -1.22 -4.32 115.29 110.48 1sq9 s HIS 67 Ca -0.00 0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 54.89 1sq9 s HIS 67 Cb 0.01 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.68 1sq9 s HIS 67 CO 0.05 -0.01 0.06 0.54 -0.85 0.00 0.00 174.74 174.53 1sq9 s VAL 68 N 0.06 0.02 0.02 -0.90 0.11 -1.26 -1.58 120.40 116.87 1sq9 s VAL 68 Ca -0.01 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1sq9 s VAL 68 Cb -0.01 -0.15 -0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1sq9 s VAL 68 CO -0.00 -0.10 0.14 -0.62 -3.33 0.00 0.00 175.10 171.19 1sq9 s ASP 69 N -0.30 0.06 -0.00 3.54 2.15 -0.68 -4.41 116.67 117.04 1sq9 s ASP 69 Ca -0.04 -0.33 0.05 0.00 0.43 0.00 0.00 52.55 52.67 1sq9 s ASP 69 Cb -0.02 0.23 -0.01 0.00 -0.30 0.00 0.00 42.92 42.81 1sq9 s ASP 69 CO 0.00 -0.46 -0.17 0.54 -0.17 0.00 0.00 175.17 174.92 1sq9 s VAL 70 N -2.01 1.31 -0.21 1.11 0.11 -1.26 -1.24 120.40 118.21 1sq9 s VAL 70 Ca -0.10 -0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1sq9 s VAL 70 Cb -0.04 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1sq9 s VAL 70 CO -0.01 0.32 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.83 1sq9 s LEU 71 N -0.51 3.03 -0.37 2.54 2.96 0.28 -4.86 118.68 121.74 1sq9 s LEU 71 Ca 0.06 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1sq9 s LEU 71 Cb -0.07 -1.77 0.10 0.00 0.50 0.00 0.00 46.19 44.96 1sq9 s LEU 71 CO -0.00 0.01 0.11 -1.58 -1.32 0.00 0.00 176.35 173.57 1sq9 s GLN 72 N 1.30 1.67 0.10 1.98 0.74 -1.26 0.63 119.66 124.82 1sq9 s GLN 72 Ca 0.04 -1.88 -0.15 0.00 0.05 0.00 0.00 55.36 53.41 1sq9 s GLN 72 Cb -0.14 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.56 1sq9 s GLN 72 CO -0.01 -0.99 0.53 0.00 -0.55 0.00 0.00 175.29 174.27 1sq9 s ALA 73 N 0.94 3.61 -0.34 1.58 0.00 0.24 -4.96 121.76 122.83 1sq9 s ALA 73 Ca 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1sq9 s ALA 73 Cb -0.20 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.46 1sq9 s ALA 73 CO -0.07 0.45 0.08 0.42 0.00 0.00 0.00 175.76 176.65 1sq9 s ILE 74 N -1.30 3.35 -0.30 0.00 1.01 -1.26 -2.33 121.20 120.37 1sq9 s ILE 74 Ca 0.33 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.50 1sq9 s ILE 74 Cb -0.16 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1sq9 s ILE 74 CO 0.18 -0.26 0.04 -0.70 0.00 0.00 0.00 174.94 174.20 1sq9 s GLU 75 N 1.29 2.77 -1.09 2.79 2.56 -1.12 -4.62 118.70 121.28 1sq9 s GLU 75 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 54.97 53.90 1sq9 s GLU 75 Cb -0.20 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1sq9 s GLU 75 CO -0.00 -0.53 0.00 -2.13 -0.56 0.00 0.00 175.26 172.04 1sq9 n ARG 76 N 4.76 -1.00 -3.58 4.30 0.63 -1.26 -3.17 116.66 117.33 1sq9 n ARG 76 Ca -0.14 0.62 -0.28 0.00 -0.92 0.00 0.00 57.85 57.13 1sq9 n ARG 76 Cb 0.46 -4.82 0.05 0.00 0.45 0.00 0.00 32.46 28.60 1sq9 n ARG 76 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1sq9 n ASP 77 N -0.40 -5.61 0.00 6.15 8.00 -1.26 -4.65 116.55 118.78 1sq9 n ASP 77 Ca -0.15 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1sq9 n ASP 77 Cb 0.61 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 1sq9 n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sq9 n ALA 78 N -3.97 0.00 -3.99 2.24 0.00 -1.26 -5.13 120.51 108.41 1sq9 n ALA 78 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1sq9 n ALA 78 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 1sq9 n ALA 78 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sq9 s PHE 79 N 0.00 3.16 -0.03 0.00 0.40 -1.19 -5.04 117.98 115.28 1sq9 s PHE 79 Ca 0.00 -2.06 -0.30 0.00 -0.60 0.00 0.00 56.93 53.97 1sq9 s PHE 79 Cb 0.00 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 1sq9 s PHE 79 CO 0.00 -0.84 1.38 -2.00 0.70 0.00 0.00 175.22 174.46 1sq9 s GLU 80 N 1.18 4.28 -0.29 0.44 2.12 -1.26 -2.80 118.70 122.37 1sq9 s GLU 80 Ca -0.05 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.20 1sq9 s GLU 80 Cb -0.18 -3.62 0.09 0.00 0.26 0.00 0.00 34.13 30.68 1sq9 s GLU 80 CO -0.06 -0.59 0.05 -1.17 -0.54 0.00 0.00 175.26 172.95 1sq9 s LEU 81 N 2.60 2.69 -0.25 2.70 1.98 -0.98 -5.02 118.68 122.39 1sq9 s LEU 81 Ca 0.63 -1.58 0.01 0.00 -2.89 0.00 0.00 54.13 50.30 1sq9 s LEU 81 Cb -0.30 -1.04 0.04 0.00 0.66 0.00 0.00 46.19 45.55 1sq9 s LEU 81 CO 0.25 -0.37 -0.09 0.00 -1.89 0.00 0.00 176.35 174.25 1sq9 s LEU 83 N 1.21 1.98 -0.16 0.00 2.96 0.20 -0.90 118.68 123.97 1sq9 s LEU 83 Ca -0.04 -0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 1sq9 s LEU 83 Cb -0.18 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1sq9 s LEU 83 CO -0.05 -0.01 0.25 -0.69 -1.32 0.00 0.00 176.35 174.53 1sq9 s VAL 84 N 1.31 5.33 -0.07 1.68 1.01 0.04 -0.56 120.40 129.15 1sq9 s VAL 84 Ca 0.04 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1sq9 s VAL 84 Cb -0.13 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1sq9 s VAL 84 CO -0.11 0.43 -0.14 0.00 0.00 0.00 0.00 175.10 175.27 1sq9 s ALA 85 N 0.26 2.63 -0.05 5.51 0.00 -0.37 -1.01 121.76 128.73 1sq9 s ALA 85 Ca 0.15 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 1sq9 s ALA 85 Cb -0.13 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1sq9 s ALA 85 CO 0.03 0.47 0.20 -0.08 0.00 0.00 0.00 175.76 176.37 1sq9 s THR 86 N -0.42 0.03 -0.05 0.00 -1.32 -0.15 -1.69 115.64 112.04 1sq9 s THR 86 Ca 0.05 -0.25 0.02 0.00 -1.21 0.00 0.00 61.69 60.30 1sq9 s THR 86 Cb -0.12 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.47 1sq9 s THR 86 CO 0.02 -0.14 -0.10 0.42 -2.21 0.00 0.00 174.62 172.61 1sq9 s THR 87 N -0.47 3.39 0.27 5.08 -4.23 -0.62 -0.46 115.64 118.60 1sq9 s THR 87 Ca -0.06 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 1sq9 s THR 87 Cb -0.04 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1sq9 s THR 87 CO 0.01 0.57 0.29 -0.94 -0.54 0.00 0.00 174.62 174.01 1sq9 s SER 88 N -0.86 5.77 0.57 3.99 1.04 -0.52 -1.40 113.70 122.29 1sq9 s SER 88 Ca 0.13 -0.19 0.34 0.00 0.48 0.00 0.00 55.95 56.70 1sq9 s SER 88 Cb -0.11 -1.44 1.69 0.00 0.10 0.00 0.00 66.02 66.27 1sq9 s SER 88 CO 0.02 -0.15 2.13 -0.26 0.98 0.00 0.00 173.24 175.95 1sq9 h PHE 89 N 1.28 0.00 0.00 5.02 0.04 -1.43 0.11 116.94 121.97 1sq9 h PHE 89 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1sq9 h PHE 89 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1sq9 h PHE 89 CO 0.50 0.06 0.00 -1.13 -0.60 0.00 0.00 178.31 177.14 1sq9 n SER 90 N -3.34 0.00 0.00 2.17 3.41 -1.26 -4.87 113.62 109.73 1sq9 n SER 90 Ca -0.01 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1sq9 n SER 90 Cb 0.21 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1sq9 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sq9 n GLY 91 N 0.26 0.65 3.79 5.00 0.00 0.40 -4.87 105.19 110.42 1sq9 n GLY 91 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1sq9 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sq9 s ASP 92 N -2.88 6.92 -0.27 1.61 1.11 -1.25 -0.60 116.67 121.31 1sq9 s ASP 92 Ca 0.00 1.89 0.02 0.00 0.18 0.00 0.00 52.55 54.64 1sq9 s ASP 92 Cb 0.00 -2.57 0.06 0.00 1.07 0.00 0.00 42.92 41.48 1sq9 s ASP 92 CO 0.00 -0.37 -0.08 -0.22 1.18 0.00 0.00 175.17 175.68 1sq9 s LEU 93 N -2.68 3.63 0.12 1.23 2.96 -1.26 -1.44 118.68 121.23 1sq9 s LEU 93 Ca 0.58 -1.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.12 1sq9 s LEU 93 Cb -0.17 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1sq9 s LEU 93 CO 0.22 -0.22 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.27 1sq9 s LEU 94 N 1.12 3.40 -0.03 -0.68 2.01 0.39 -4.94 118.68 119.96 1sq9 s LEU 94 Ca -0.07 -0.25 0.04 0.00 0.01 0.00 0.00 54.13 53.86 1sq9 s LEU 94 Cb -0.20 -2.11 -0.01 0.00 0.01 0.00 0.00 46.19 43.88 1sq9 s LEU 94 CO -0.04 0.15 -0.16 -0.36 1.01 0.00 0.00 176.35 176.94 1sq9 s PHE 95 N -1.43 1.51 -0.03 0.29 0.08 -1.26 -0.98 117.98 116.15 1sq9 s PHE 95 Ca 0.26 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1sq9 s PHE 95 Cb -0.11 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1sq9 s PHE 95 CO 0.18 -0.10 -0.00 0.71 -0.10 0.00 0.00 175.22 175.91 1sq9 s TYR 96 N -0.12 0.37 -0.05 0.36 2.02 -0.18 -0.72 117.35 119.03 1sq9 s TYR 96 Ca 0.01 -0.02 -0.22 0.00 -0.37 0.00 0.00 57.07 56.46 1sq9 s TYR 96 Cb -0.09 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 1sq9 s TYR 96 CO 0.01 -0.15 0.66 0.50 -1.57 0.00 0.00 175.55 175.00 1sq9 s ARG 97 N 1.12 4.41 -0.27 -0.62 3.52 0.24 -0.78 118.95 126.58 1sq9 s ARG 97 Ca -0.08 0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 56.24 1sq9 s ARG 97 Cb -0.13 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 1sq9 s ARG 97 CO -0.02 0.17 0.15 0.42 -0.81 0.00 0.00 175.30 175.21 1sq9 s ILE 98 N 0.47 5.02 0.31 4.11 -1.09 -0.08 -0.79 121.20 129.14 1sq9 s ILE 98 Ca 0.35 0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1sq9 s ILE 98 Cb -0.18 -3.37 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 1sq9 s ILE 98 CO 0.18 0.29 0.07 0.42 -1.23 0.00 0.00 174.94 174.67 1sq9 s THR 99 N 1.62 0.97 0.02 2.92 -4.23 -0.58 -4.40 115.64 111.96 1sq9 s THR 99 Ca 0.07 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1sq9 s THR 99 Cb -0.15 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1sq9 s THR 99 CO 0.08 0.00 -0.23 -0.13 -0.54 0.00 0.00 174.62 173.80 1sq9 s ARG 100 N -3.93 1.65 0.32 3.99 0.52 -1.26 -0.06 118.95 120.19 1sq9 s ARG 100 Ca 0.36 -0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 1sq9 s ARG 100 Cb 0.08 -1.71 -0.11 0.00 0.52 0.00 0.00 34.95 33.73 1sq9 s ARG 100 CO 0.15 0.45 1.58 -1.91 0.02 0.00 0.00 175.30 175.59 1sq9 n GLU 101 N 2.11 2.72 0.00 3.54 2.13 0.96 -4.79 120.64 127.32 1sq9 n GLU 101 Ca -0.16 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1sq9 n GLU 101 Cb 0.53 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.50 1sq9 n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1sq9 n ASP 102 N 1.70 0.00 -1.86 4.31 8.00 -1.26 -1.67 116.55 125.76 1sq9 n ASP 102 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.54 1sq9 n ASP 102 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 1sq9 n ASP 102 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sq9 n GLU 103 N -1.97 0.63 -0.01 -1.24 -0.58 -1.26 -4.90 120.64 111.31 1sq9 n GLU 103 Ca 0.00 -0.71 0.08 0.00 -0.42 0.00 0.00 57.16 56.11 1sq9 n GLU 103 Cb 0.00 0.32 -0.12 0.00 -0.57 0.00 0.00 31.44 31.07 1sq9 n GLU 103 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1sq9 n THR 104 N -0.72 0.00 -0.21 2.62 -1.04 -0.67 -4.97 114.28 109.29 1sq9 n THR 104 Ca -0.13 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1sq9 n THR 104 Cb 0.68 0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.35 1sq9 n THR 104 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1sq9 n LYS 105 N -2.03 0.00 -1.70 -2.82 4.76 -1.17 -4.93 118.16 110.27 1sq9 n LYS 105 Ca -0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1sq9 n LYS 105 Cb 0.40 -2.60 -0.03 0.00 -1.84 0.00 0.00 35.03 30.96 1sq9 n LYS 105 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1sq9 n LYS 106 N -2.00 2.76 -2.69 1.97 3.00 -1.26 -4.58 118.16 115.37 1sq9 n LYS 106 Ca 0.00 1.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.91 1sq9 n LYS 106 Cb 0.00 -2.87 -0.05 0.00 0.00 0.00 0.00 35.03 32.11 1sq9 n LYS 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1sq9 s VAL 107 N 1.90 4.07 -0.09 3.15 1.01 -1.26 -0.03 120.40 129.16 1sq9 s VAL 107 Ca 0.79 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.76 1sq9 s VAL 107 Cb -0.50 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.61 1sq9 s VAL 107 CO 0.35 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 175.06 1sq9 s ILE 108 N -0.83 2.64 -0.22 2.22 1.01 0.92 -4.92 121.20 122.02 1sq9 s ILE 108 Ca 0.44 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1sq9 s ILE 108 Cb -0.26 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1sq9 s ILE 108 CO 0.33 0.55 0.00 -0.36 0.00 0.00 0.00 174.94 175.47 1sq9 s PHE 109 N 0.02 3.02 -0.22 3.97 0.40 -1.26 -1.53 117.98 122.38 1sq9 s PHE 109 Ca -0.06 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1sq9 s PHE 109 Cb -0.15 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.28 1sq9 s PHE 109 CO 0.05 -0.36 -0.11 -2.00 0.70 0.00 0.00 175.22 173.49 1sq9 s GLU 110 N 1.29 2.95 0.12 0.44 2.12 0.03 -4.93 118.70 120.72 1sq9 s GLU 110 Ca 0.04 -0.88 -0.31 0.00 0.36 0.00 0.00 54.97 54.17 1sq9 s GLU 110 Cb -0.15 -2.84 -0.08 0.00 0.26 0.00 0.00 34.13 31.32 1sq9 s GLU 110 CO 0.01 -0.31 1.43 0.21 -0.54 0.00 0.00 175.26 176.07 1sq9 s LYS 111 N 1.33 4.29 -0.13 4.30 2.20 -1.26 -0.59 119.74 129.89 1sq9 s LYS 111 Ca 0.02 2.14 -0.00 0.00 -0.36 0.00 0.00 55.97 57.77 1sq9 s LYS 111 Cb -0.15 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1sq9 s LYS 111 CO -0.07 -0.48 -0.13 -0.51 -0.36 0.00 0.00 175.35 173.80 1sq9 s LEU 112 N 1.15 2.75 -0.58 5.43 1.43 0.10 -4.93 118.68 124.04 1sq9 s LEU 112 Ca 0.66 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 1sq9 s LEU 112 Cb -0.38 -1.62 0.09 0.00 0.03 0.00 0.00 46.19 44.31 1sq9 s LEU 112 CO 0.30 0.18 0.70 -0.62 0.23 0.00 0.00 176.35 177.15 1sq9 s ASP 113 N 0.27 6.19 -0.04 2.29 2.15 -1.26 -4.25 116.67 122.01 1sq9 s ASP 113 Ca -0.09 -1.30 0.12 0.00 0.43 0.00 0.00 52.55 51.71 1sq9 s ASP 113 Cb -0.15 -2.31 -0.18 0.00 -0.30 0.00 0.00 42.92 39.98 1sq9 s ASP 113 CO 0.05 -1.09 0.21 0.18 -0.17 0.00 0.00 175.17 174.36 1sq9 n LEU 114 N 6.39 0.00 -4.88 -1.34 4.77 -1.26 -5.02 117.00 115.66 1sq9 n LEU 114 Ca -0.09 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 1sq9 n LEU 114 Cb 0.43 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1sq9 n LEU 114 CO 0.58 0.08 0.18 -0.76 -1.33 0.00 0.00 177.39 176.14 1sq9 s LEU 115 N -4.13 4.19 0.61 2.23 1.43 -1.26 -4.25 118.68 117.50 1sq9 s LEU 115 Ca -0.05 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1sq9 s LEU 115 Cb 0.07 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1sq9 s LEU 115 CO 0.51 -0.04 1.01 1.51 0.23 0.00 0.00 176.35 179.57 1sq9 s ASP 116 N -2.34 6.20 0.42 2.29 1.47 -1.26 -4.93 116.67 118.52 1sq9 s ASP 116 Ca 0.46 1.37 0.12 0.00 1.18 0.00 0.00 52.55 55.68 1sq9 s ASP 116 Cb -0.11 -2.43 0.97 0.00 -0.34 0.00 0.00 42.92 41.01 1sq9 s ASP 116 CO 0.22 -0.87 1.98 0.77 0.68 0.00 0.00 175.17 177.95 1sq9 h SER 117 N -0.29 0.42 0.35 2.11 4.64 -2.00 -1.96 113.55 116.82 1sq9 h SER 117 Ca -0.44 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.71 1sq9 h SER 117 Cb 1.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1sq9 h SER 117 CO 0.62 0.26 -0.73 0.44 -0.87 0.00 0.00 176.83 176.55 1sq9 h ASP 118 N 0.47 0.38 0.23 4.97 3.32 -2.03 -2.87 116.42 120.90 1sq9 h ASP 118 Ca 0.27 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1sq9 h ASP 118 Cb 0.45 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1sq9 h ASP 118 CO -0.08 0.98 -0.26 -0.03 -1.72 0.00 0.00 179.24 178.13 1sq9 h MET 119 N 0.22 0.07 0.00 3.56 4.05 -1.75 -2.09 114.93 118.99 1sq9 h MET 119 Ca -0.03 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1sq9 h MET 119 Cb 1.30 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1sq9 h MET 119 CO 0.12 0.33 0.00 1.63 0.23 0.00 0.00 176.91 179.22 1sq9 n LYS 120 N -4.20 0.08 0.11 0.39 5.02 -0.99 -2.49 118.16 116.08 1sq9 n LYS 120 Ca -0.02 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 1sq9 n LYS 120 Cb 0.33 -1.67 0.45 0.00 -0.02 0.00 0.00 35.03 34.13 1sq9 n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sq9 n LYS 121 N -1.83 0.21 -2.24 1.97 5.02 -0.79 -4.81 118.16 115.69 1sq9 n LYS 121 Ca 0.03 0.29 -0.29 0.00 -2.02 0.00 0.00 58.31 56.32 1sq9 n LYS 121 Cb 0.18 -1.80 0.01 0.00 -0.02 0.00 0.00 35.03 33.39 1sq9 n LYS 121 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1sq9 s HIS 122 N -3.18 3.58 -0.39 2.13 3.76 -1.04 -5.04 115.29 115.10 1sq9 s HIS 122 Ca 0.08 1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 55.98 1sq9 s HIS 122 Cb 0.11 -2.54 0.08 0.00 1.11 0.00 0.00 32.58 31.35 1sq9 s HIS 122 CO 0.49 -0.52 0.18 0.45 -0.85 0.00 0.00 174.74 174.49 1sq9 s SER 123 N -4.16 5.34 0.33 1.40 0.15 -1.26 -4.71 113.70 110.79 1sq9 s SER 123 Ca 0.52 -1.64 -0.19 0.00 0.70 0.00 0.00 55.95 55.33 1sq9 s SER 123 Cb -0.11 -1.87 -0.10 0.00 -1.71 0.00 0.00 66.02 62.24 1sq9 s SER 123 CO 0.49 -0.48 0.82 -0.36 1.20 0.00 0.00 173.24 174.91 1sq9 s PHE 124 N 1.29 3.45 0.00 3.44 0.08 0.23 -0.84 117.98 125.63 1sq9 s PHE 124 Ca 0.03 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1sq9 s PHE 124 Cb -0.22 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1sq9 s PHE 124 CO -0.01 0.10 0.00 1.87 -0.10 0.00 0.00 175.22 177.08 1sq9 n TRP 125 N -0.12 0.00 -2.71 0.36 -0.00 0.38 -4.49 117.44 110.86 1sq9 n TRP 125 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.23 1sq9 n TRP 125 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.81 1sq9 n TRP 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sq9 s ALA 126 N -2.03 3.31 0.02 5.87 0.00 -1.25 -4.75 121.76 122.92 1sq9 s ALA 126 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 1sq9 s ALA 126 Cb 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1sq9 s ALA 126 CO 0.00 -0.13 0.30 -0.48 0.00 0.00 0.00 175.76 175.45 1sq9 s LEU 127 N -4.09 0.90 -0.23 0.00 0.05 -1.26 -1.05 118.68 113.00 1sq9 s LEU 127 Ca 0.52 -0.10 -0.14 0.00 0.05 0.00 0.00 54.13 54.46 1sq9 s LEU 127 Cb -0.10 1.30 0.07 0.00 -2.05 0.00 0.00 46.19 45.40 1sq9 s LEU 127 CO 0.35 -0.55 0.56 -0.75 -0.55 0.00 0.00 176.35 175.41 1sq9 s LYS 128 N -2.10 0.57 0.24 1.48 2.47 0.55 -4.88 119.74 118.08 1sq9 s LYS 128 Ca -0.08 1.01 -0.30 0.00 -1.56 0.00 0.00 55.97 55.04 1sq9 s LYS 128 Cb -0.02 0.09 -0.09 0.00 -1.46 0.00 0.00 37.83 36.34 1sq9 s LYS 128 CO -0.01 -0.15 0.96 -1.58 0.16 0.00 0.00 175.35 174.74 1sq9 s TRP 129 N 1.43 3.93 -0.41 4.03 0.52 -1.26 -1.08 118.94 126.10 1sq9 s TRP 129 Ca -0.09 1.89 0.04 0.00 0.02 0.00 0.00 56.10 57.95 1sq9 s TRP 129 Cb -0.06 -3.02 0.11 0.00 -1.15 0.00 0.00 33.47 29.35 1sq9 s TRP 129 CO -0.15 0.32 0.13 0.20 0.02 0.00 0.00 176.95 177.47 1sq9 s GLY 130 N -1.07 2.13 0.63 0.98 0.00 0.23 -4.94 107.32 105.28 1sq9 s GLY 130 Ca 0.42 -2.82 -0.13 0.00 0.00 0.00 0.00 44.72 42.19 1sq9 s GLY 130 CO 0.33 0.97 1.04 0.00 0.00 0.00 0.00 173.10 175.44 1sq9 s ALA 131 N 0.45 2.86 -1.02 3.20 0.00 -1.26 -1.15 121.76 124.84 1sq9 s ALA 131 Ca 0.13 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 1sq9 s ALA 131 Cb -0.22 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1sq9 s ALA 131 CO -0.05 -0.85 0.68 0.43 0.00 0.00 0.00 175.76 175.97 1sq9 n SER 132 N -2.56 -4.96 -0.37 0.00 7.64 -1.26 -4.92 113.62 107.19 1sq9 n SER 132 Ca 0.07 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1sq9 n SER 132 Cb 0.54 -2.33 0.00 0.00 -1.01 0.00 0.00 64.21 61.41 1sq9 n SER 132 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sq9 n ASN 133 N -2.40 0.00 -0.55 6.43 5.03 -1.26 -4.98 115.26 117.52 1sq9 n ASN 133 Ca -0.18 -1.44 0.00 0.00 0.87 0.00 0.00 54.58 53.84 1sq9 n ASN 133 Cb 0.61 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1sq9 n ASN 133 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1sq9 n SER 138 N 0.00 0.00 -4.69 6.41 2.88 -1.26 -5.10 113.62 111.86 1sq9 n SER 138 Ca 0.00 0.37 -0.33 0.00 -1.33 0.00 0.00 58.87 57.58 1sq9 n SER 138 Cb 0.59 -0.55 0.13 0.00 -0.75 0.00 0.00 64.21 63.63 1sq9 n SER 138 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1sq9 s HIS 139 N -0.32 1.78 0.04 0.66 0.09 -1.26 -4.87 115.29 111.41 1sq9 s HIS 139 Ca 0.00 1.69 0.03 0.00 -0.00 0.00 0.00 55.06 56.78 1sq9 s HIS 139 Cb 0.00 -3.47 -0.02 0.00 -0.00 0.00 0.00 32.58 29.09 1sq9 s HIS 139 CO 0.00 -2.85 -0.09 0.50 -0.00 0.00 0.00 174.74 172.30 1sq9 s ARG 140 N -4.21 0.61 -0.05 1.40 6.06 -0.30 -1.47 118.95 121.00 1sq9 s ARG 140 Ca 0.72 -0.67 0.04 0.00 -2.50 0.00 0.00 55.73 53.32 1sq9 s ARG 140 Cb -0.28 -0.49 0.00 0.00 0.06 0.00 0.00 34.95 34.24 1sq9 s ARG 140 CO 0.52 0.11 -0.15 -1.17 -2.50 0.00 0.00 175.30 172.10 1sq9 s LEU 141 N -1.24 1.85 0.04 -0.88 2.96 -0.53 0.77 118.68 121.65 1sq9 s LEU 141 Ca -0.05 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1sq9 s LEU 141 Cb -0.08 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 1sq9 s LEU 141 CO 0.01 0.12 -0.20 0.68 -1.32 0.00 0.00 176.35 175.63 1sq9 s VAL 142 N 0.18 1.64 0.09 1.68 -7.23 -0.24 -1.10 120.40 115.43 1sq9 s VAL 142 Ca -0.06 -1.17 -0.10 0.00 -1.81 0.00 0.00 61.98 58.84 1sq9 s VAL 142 Cb -0.12 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1sq9 s VAL 142 CO 0.02 0.22 0.22 0.00 -0.31 0.00 0.00 175.10 175.25 1sq9 s ALA 143 N -0.78 -0.35 0.30 1.32 0.00 -0.60 -0.33 121.76 121.32 1sq9 s ALA 143 Ca 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 51.96 51.63 1sq9 s ALA 143 Cb -0.09 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1sq9 s ALA 143 CO 0.02 -0.52 -0.08 0.95 0.00 0.00 0.00 175.76 176.13 1sq9 s THR 144 N -3.75 2.72 0.39 0.00 -4.23 -0.22 0.30 115.64 110.86 1sq9 s THR 144 Ca 0.04 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1sq9 s THR 144 Cb 0.04 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 1sq9 s THR 144 CO -0.11 -0.31 0.11 1.51 -0.54 0.00 0.00 174.62 175.29 1sq9 s ASP 145 N -3.62 4.28 0.52 3.99 1.47 -0.02 -0.47 116.67 122.82 1sq9 s ASP 145 Ca 0.32 -1.10 0.34 0.00 1.18 0.00 0.00 52.55 53.29 1sq9 s ASP 145 Cb -0.03 -0.49 1.50 0.00 -0.34 0.00 0.00 42.92 43.57 1sq9 s ASP 145 CO 0.18 -0.45 2.00 -0.37 0.68 0.00 0.00 175.17 177.21 1sq9 h VAL 146 N 1.57 0.00 -0.01 2.11 -1.51 -1.29 -2.08 116.25 115.05 1sq9 h VAL 146 Ca -0.43 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1sq9 h VAL 146 Cb 1.25 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1sq9 h VAL 146 CO 0.71 0.00 -0.07 0.29 -1.23 0.00 0.00 177.57 177.27 1sq9 n LYS 147 N -2.92 1.12 0.00 5.19 5.02 -1.26 -4.00 118.16 121.31 1sq9 n LYS 147 Ca 0.00 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1sq9 n LYS 147 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1sq9 n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sq9 n GLY 148 N 1.20 1.04 3.84 0.72 0.00 -0.78 -4.43 105.19 106.78 1sq9 n GLY 148 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1sq9 n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sq9 s THR 149 N -2.06 4.59 -0.07 2.61 2.01 -1.26 -3.65 115.64 117.82 1sq9 s THR 149 Ca 0.00 1.12 0.03 0.00 0.31 0.00 0.00 61.69 63.15 1sq9 s THR 149 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1sq9 s THR 149 CO 0.00 -0.22 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.69 1sq9 s THR 150 N -2.04 3.12 -0.01 -0.82 2.01 -0.68 -0.84 115.64 116.39 1sq9 s THR 150 Ca 0.56 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1sq9 s THR 150 Cb -0.10 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1sq9 s THR 150 CO 0.16 0.58 -0.26 -0.31 -0.69 0.00 0.00 174.62 174.10 1sq9 s TYR 151 N -0.54 2.34 -0.08 4.92 1.51 0.15 -0.79 117.35 124.85 1sq9 s TYR 151 Ca 0.07 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1sq9 s TYR 151 Cb -0.12 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1sq9 s TYR 151 CO 0.01 -0.00 -0.09 0.42 -1.11 0.00 0.00 175.55 174.79 1sq9 s ILE 152 N -0.65 0.99 0.17 2.71 1.09 -0.78 -1.56 121.20 123.17 1sq9 s ILE 152 Ca 0.10 -0.33 0.08 0.00 -1.10 0.00 0.00 60.65 59.41 1sq9 s ILE 152 Cb -0.10 -0.97 -0.04 0.00 -1.06 0.00 0.00 42.46 40.29 1sq9 s ILE 152 CO -0.00 0.34 -0.18 0.26 -0.10 0.00 0.00 174.94 175.26 1sq9 s TRP 153 N 1.19 1.81 -0.15 3.97 0.51 -0.26 0.34 118.94 126.36 1sq9 s TRP 153 Ca -0.05 -0.48 -0.07 0.00 -2.12 0.00 0.00 56.10 53.38 1sq9 s TRP 153 Cb -0.14 -0.89 -0.04 0.00 -0.81 0.00 0.00 33.47 31.59 1sq9 s TRP 153 CO -0.02 0.34 0.09 0.15 -0.51 0.00 0.00 176.95 177.01 1sq9 s LYS 154 N -2.95 3.66 -0.12 4.98 1.02 0.17 -1.46 119.74 125.05 1sq9 s LYS 154 Ca 0.17 -0.25 -0.07 0.00 0.02 0.00 0.00 55.97 55.84 1sq9 s LYS 154 Cb -0.05 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1sq9 s LYS 154 CO 0.07 0.53 0.13 0.12 -0.92 0.00 0.00 175.35 175.28 1sq9 s PHE 155 N -0.34 3.55 -0.14 3.18 5.36 -0.54 -0.67 117.98 128.38 1sq9 s PHE 155 Ca 0.10 0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 56.55 1sq9 s PHE 155 Cb -0.12 -1.95 0.04 0.00 -0.34 0.00 0.00 43.02 40.65 1sq9 s PHE 155 CO 0.01 0.68 -0.04 -1.01 -1.46 0.00 0.00 175.22 173.40 1sq9 s HIS 156 N -0.89 1.41 0.22 10.12 3.76 -0.51 -3.99 115.29 125.41 1sq9 s HIS 156 Ca 0.14 -0.82 0.32 0.00 -0.15 0.00 0.00 55.06 54.56 1sq9 s HIS 156 Cb -0.12 -1.18 1.43 0.00 1.11 0.00 0.00 32.58 33.81 1sq9 s HIS 156 CO 0.03 -0.54 2.01 -1.00 -0.85 0.00 0.00 174.74 174.40 1sq9 h PRO 157 N 8.18 0.00 -5.56 8.40 0.13 -1.89 0.02 132.00 141.29 1sq9 h PRO 157 Ca -0.24 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.26 1sq9 h PRO 157 Cb 1.12 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.93 1sq9 h PRO 157 CO 0.37 0.06 -0.86 -0.06 -0.23 0.00 0.00 178.00 177.28 1sq9 s PHE 158 N -3.79 2.10 0.33 1.56 0.08 -1.26 -0.72 117.98 116.27 1sq9 s PHE 158 Ca -0.00 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.39 1sq9 s PHE 158 Cb 0.10 -1.40 0.54 0.00 -0.57 0.00 0.00 43.02 41.70 1sq9 s PHE 158 CO 0.55 -0.22 1.99 0.00 -0.10 0.00 0.00 175.22 177.44 1sq9 h ALA 159 N 6.27 1.48 -2.97 5.36 0.00 -1.57 -3.46 119.26 124.37 1sq9 h ALA 159 Ca -0.31 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1sq9 h ALA 159 Cb 1.18 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1sq9 h ALA 159 CO 0.47 0.48 0.09 0.16 0.00 0.00 0.00 179.25 180.45 1sq9 s ASP 160 N -6.38 0.39 0.43 0.00 1.47 -1.26 -5.05 116.67 106.26 1sq9 s ASP 160 Ca -0.11 -1.29 0.19 0.00 1.18 0.00 0.00 52.55 52.52 1sq9 s ASP 160 Cb 0.18 0.78 0.96 0.00 -0.34 0.00 0.00 42.92 44.50 1sq9 s ASP 160 CO 0.78 -1.53 1.90 -0.33 0.68 0.00 0.00 175.17 176.66 1sq9 h GLU 161 N 2.04 0.00 -0.22 2.11 4.39 -1.99 -1.60 114.58 119.31 1sq9 h GLU 161 Ca -0.30 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.31 1sq9 h GLU 161 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1sq9 h GLU 161 CO 0.40 0.28 -0.25 0.66 -1.16 0.00 0.00 179.01 178.94 1sq9 h SER 162 N 0.00 0.42 -0.07 1.42 4.64 -1.99 -0.96 113.55 117.01 1sq9 h SER 162 Ca -0.00 -0.13 -0.23 0.00 -0.47 0.00 0.00 61.79 60.95 1sq9 h SER 162 Cb 0.58 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1sq9 h SER 162 CO 0.04 0.67 -0.86 0.78 -0.87 0.00 0.00 176.83 176.59 1sq9 h ASN 163 N 0.37 0.87 -0.96 4.97 2.35 -1.76 -3.24 115.58 118.17 1sq9 h ASN 163 Ca 0.06 -0.69 0.03 0.00 -0.55 0.00 0.00 56.30 55.15 1sq9 h ASN 163 Cb 0.64 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 1sq9 h ASN 163 CO 0.05 1.43 0.63 -1.28 -1.65 0.00 0.00 177.43 176.61 1sq9 h SER 164 N 0.38 1.05 0.37 5.81 0.87 -0.94 -0.99 113.55 120.11 1sq9 h SER 164 Ca -0.09 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1sq9 h SER 164 Cb 1.51 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1sq9 h SER 164 CO 0.17 0.73 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.12 1sq9 h LEU 165 N 1.23 0.00 -2.95 2.23 3.38 -1.21 -2.22 115.31 115.76 1sq9 h LEU 165 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1sq9 h LEU 165 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1sq9 h LEU 165 CO -0.11 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.78 1sq9 n THR 166 N -3.14 1.07 -3.86 0.22 -2.24 -0.90 -4.99 114.28 100.44 1sq9 n THR 166 Ca -0.02 -1.06 -0.30 0.00 -2.27 0.00 0.00 64.05 60.40 1sq9 n THR 166 Cb 0.16 0.45 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1sq9 n THR 166 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sq9 n LEU 167 N -0.03 -2.56 -4.47 3.22 4.77 -0.70 -4.88 117.00 112.36 1sq9 n LEU 167 Ca 0.07 -0.74 -0.44 0.00 -0.03 0.00 0.00 56.01 54.87 1sq9 n LEU 167 Cb 0.37 -2.58 -0.01 0.00 -2.33 0.00 0.00 43.42 38.88 1sq9 n LEU 167 CO 0.04 0.46 1.36 0.21 -1.33 0.00 0.00 177.39 178.13 1sq9 s ASN 168 N -3.26 6.94 0.12 -1.43 3.04 -0.46 -4.97 114.94 114.92 1sq9 s ASN 168 Ca 0.65 -2.71 -0.35 0.00 0.04 0.00 0.00 52.86 50.49 1sq9 s ASN 168 Cb -0.32 -2.42 -0.16 0.00 -1.54 0.00 0.00 41.25 36.80 1sq9 s ASN 168 CO 0.80 -0.87 1.22 0.79 -3.04 0.00 0.00 177.10 176.00 1sq9 n TRP 169 N 6.15 1.30 -2.72 0.43 7.02 -1.26 -4.72 117.44 123.63 1sq9 n TRP 169 Ca 0.35 0.70 -0.08 0.00 -1.02 0.00 0.00 57.50 57.45 1sq9 n TRP 169 Cb 0.45 -2.28 0.09 0.00 -2.42 0.00 0.00 31.31 27.15 1sq9 n TRP 169 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1sq9 n SER 170 N 2.19 -2.14 -4.58 -0.99 3.41 0.11 -4.98 113.62 106.65 1sq9 n SER 170 Ca 0.17 -3.27 -0.37 0.00 -0.26 0.00 0.00 58.87 55.14 1sq9 n SER 170 Cb 0.21 1.75 0.06 0.00 -0.26 0.00 0.00 64.21 65.97 1sq9 n SER 170 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1sq9 n PRO 171 N 0.49 0.64 -3.97 4.33 -0.04 -0.82 -1.60 135.00 134.03 1sq9 n PRO 171 Ca 0.04 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1sq9 n PRO 171 Cb 0.71 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 1sq9 n PRO 171 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sq9 s THR 172 N -1.68 0.14 -0.20 0.52 -4.23 -0.01 -4.87 115.64 105.31 1sq9 s THR 172 Ca 0.73 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1sq9 s THR 172 Cb -0.39 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 72.72 1sq9 s THR 172 CO 0.50 -0.62 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.02 1sq9 s LEU 173 N -1.99 2.42 -0.33 4.79 1.43 -1.26 -1.42 118.68 122.32 1sq9 s LEU 173 Ca -0.07 -0.81 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 1sq9 s LEU 173 Cb -0.03 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1sq9 s LEU 173 CO -0.04 -0.04 0.17 -0.70 0.23 0.00 0.00 176.35 175.97 1sq9 s GLU 174 N 1.25 3.20 0.02 1.70 2.12 0.15 -4.92 118.70 122.22 1sq9 s GLU 174 Ca 0.02 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 1sq9 s GLU 174 Cb -0.14 -3.62 -0.06 0.00 0.26 0.00 0.00 34.13 30.56 1sq9 s GLU 174 CO -0.11 -0.50 1.48 -1.17 -0.54 0.00 0.00 175.26 174.42 1sq9 s LEU 175 N 1.60 4.33 -0.05 2.70 2.96 -1.26 0.43 118.68 129.39 1sq9 s LEU 175 Ca 0.04 2.22 -0.09 0.00 -0.22 0.00 0.00 54.13 56.07 1sq9 s LEU 175 Cb -0.18 -3.56 -0.30 0.00 0.50 0.00 0.00 46.19 42.65 1sq9 s LEU 175 CO 0.07 -0.77 0.66 1.56 -1.32 0.00 0.00 176.35 176.54 1sq9 h GLN 176 N 8.03 0.36 0.00 1.98 1.08 -0.45 -3.47 115.11 122.64 1sq9 h GLN 176 Ca -0.39 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.19 1sq9 h GLN 176 Cb 1.18 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1sq9 h GLN 176 CO 0.91 1.28 0.00 0.41 -0.95 0.00 0.00 178.83 180.48 1sq9 n GLY 177 N 1.85 -0.86 3.15 3.46 0.00 -1.16 -5.03 105.19 106.60 1sq9 n GLY 177 Ca -0.24 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1sq9 n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sq9 s THR 178 N -3.00 0.50 -0.16 2.61 -4.23 -1.26 -1.87 115.64 108.23 1sq9 s THR 178 Ca 0.00 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1sq9 s THR 178 Cb 0.00 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.17 1sq9 s THR 178 CO 0.00 -0.86 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.36 1sq9 s VAL 179 N -3.75 1.80 0.46 2.29 1.01 0.03 -4.96 120.40 117.28 1sq9 s VAL 179 Ca 0.12 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1sq9 s VAL 179 Cb 0.06 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.69 1sq9 s VAL 179 CO -0.05 0.50 1.00 -1.61 0.00 0.00 0.00 175.10 174.93 1sq9 s GLU 180 N 1.37 4.00 0.61 2.72 0.41 -1.26 -1.69 118.70 124.87 1sq9 s GLU 180 Ca 0.05 1.24 -0.19 0.00 -0.41 0.00 0.00 54.97 55.66 1sq9 s GLU 180 Cb -0.13 -2.13 -0.03 0.00 -1.78 0.00 0.00 34.13 30.06 1sq9 s GLU 180 CO -0.11 -0.24 1.28 -1.54 -0.49 0.00 0.00 175.26 174.16 1sq9 s SER 181 N -2.09 4.91 0.33 -0.19 1.04 -1.24 -4.93 113.70 111.53 1sq9 s SER 181 Ca 0.65 2.59 0.18 0.00 0.48 0.00 0.00 55.95 59.84 1sq9 s SER 181 Cb -0.13 -2.62 0.27 0.00 0.10 0.00 0.00 66.02 63.64 1sq9 s SER 181 CO 0.17 -1.80 1.54 1.55 0.98 0.00 0.00 173.24 175.68 1sq9 h PRO 182 N 0.84 0.00 -6.25 4.02 0.13 -1.95 -3.47 132.00 125.32 1sq9 h PRO 182 Ca -0.51 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.15 1sq9 h PRO 182 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1sq9 h PRO 182 CO 0.55 0.39 -0.40 0.00 -0.23 0.00 0.00 178.00 178.30 1sq9 s MET 183 N -3.13 2.92 -0.05 0.86 0.23 -1.26 -5.11 119.30 113.76 1sq9 s MET 183 Ca 0.04 -1.15 -0.02 0.00 -1.03 0.00 0.00 55.69 53.52 1sq9 s MET 183 Cb 0.08 -2.64 0.04 0.00 -1.53 0.00 0.00 34.83 30.77 1sq9 s MET 183 CO 0.72 0.09 0.10 0.99 -2.03 0.00 0.00 175.02 174.88 1sq9 s THR 184 N -2.24 -0.09 0.68 3.16 2.01 -1.26 -3.50 115.64 114.40 1sq9 s THR 184 Ca 0.43 0.25 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 1sq9 s THR 184 Cb -0.08 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1sq9 s THR 184 CO 0.29 0.10 1.18 -2.84 -0.69 0.00 0.00 174.62 172.66 1sq9 s PRO 185 N 1.42 2.49 0.53 4.92 0.02 -1.26 -5.10 135.00 138.03 1sq9 s PRO 185 Ca -0.06 1.67 -0.20 0.00 0.02 0.00 0.00 61.00 62.43 1sq9 s PRO 185 Cb -0.12 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1sq9 s PRO 185 CO -0.05 -1.54 1.14 0.45 -0.33 0.00 0.00 177.00 176.67 1sq9 s SER 186 N -2.09 5.75 0.32 2.53 0.15 -1.23 -5.03 113.70 114.09 1sq9 s SER 186 Ca 0.73 2.22 0.09 0.00 0.70 0.00 0.00 55.95 59.69 1sq9 s SER 186 Cb -0.27 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.41 1sq9 s SER 186 CO 0.42 -1.20 0.11 -1.10 1.20 0.00 0.00 173.24 172.66 1sq9 s GLN 187 N -3.19 2.36 0.05 5.44 -1.52 -1.26 -4.95 119.66 116.59 1sq9 s GLN 187 Ca 0.72 -1.51 -0.30 0.00 -1.95 0.00 0.00 55.36 52.31 1sq9 s GLN 187 Cb -0.25 -2.17 -0.09 0.00 -0.22 0.00 0.00 33.01 30.28 1sq9 s GLN 187 CO 0.29 0.18 1.83 0.12 -0.25 0.00 0.00 175.29 177.46 1sq9 s PHE 188 N -2.40 1.78 -0.75 0.91 5.36 -1.26 -3.55 117.98 118.08 1sq9 s PHE 188 Ca 0.36 -0.13 -0.22 0.00 -0.96 0.00 0.00 56.93 55.98 1sq9 s PHE 188 Cb -0.03 -4.13 0.08 0.00 -0.34 0.00 0.00 43.02 38.60 1sq9 s PHE 188 CO 0.22 -4.86 1.04 0.00 -1.46 0.00 0.00 175.22 170.16 1sq9 s ALA 189 N 3.68 3.15 0.01 11.12 0.00 -1.26 -1.07 121.76 137.39 1sq9 s ALA 189 Ca 0.82 -2.10 0.30 0.00 0.00 0.00 0.00 51.96 50.97 1sq9 s ALA 189 Cb -0.42 -3.96 1.07 0.00 0.00 0.00 0.00 23.12 19.82 1sq9 s ALA 189 CO 0.37 -2.89 1.88 1.79 0.00 0.00 0.00 175.76 176.90 1sq9 h THR 190 N 5.99 0.13 -2.89 0.00 1.35 -1.48 -3.41 112.91 112.59 1sq9 h THR 190 Ca -0.14 -0.75 -0.05 0.00 -0.55 0.00 0.00 66.41 64.92 1sq9 h THR 190 Cb 1.05 1.67 -0.14 0.00 -1.73 0.00 0.00 68.15 69.00 1sq9 h THR 190 CO 1.18 0.05 0.08 -0.94 -0.25 0.00 0.00 175.52 175.65 1sq9 s SER 191 N -5.90 -0.46 0.03 5.36 1.04 -1.16 -4.68 113.70 107.93 1sq9 s SER 191 Ca 0.02 0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.31 1sq9 s SER 191 Cb 0.08 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1sq9 s SER 191 CO 0.59 -0.81 0.50 0.54 0.98 0.00 0.00 173.24 175.03 1sq9 s VAL 192 N -3.00 0.03 0.07 5.02 0.11 -1.26 -1.06 120.40 120.31 1sq9 s VAL 192 Ca -0.02 -0.28 -0.13 0.00 -2.93 0.00 0.00 61.98 58.61 1sq9 s VAL 192 Cb -0.00 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1sq9 s VAL 192 CO -0.06 -0.15 0.31 -0.62 -3.33 0.00 0.00 175.10 171.24 1sq9 s ASP 193 N -1.82 -0.10 -0.07 3.54 2.15 -0.66 -4.80 116.67 114.89 1sq9 s ASP 193 Ca -0.07 -0.30 0.03 0.00 0.43 0.00 0.00 52.55 52.63 1sq9 s ASP 193 Cb -0.01 0.38 0.01 0.00 -0.30 0.00 0.00 42.92 43.00 1sq9 s ASP 193 CO 0.00 -0.69 -0.14 -0.51 -0.17 0.00 0.00 175.17 173.66 1sq9 s ILE 194 N -3.09 1.28 0.50 4.11 2.07 -1.26 -1.44 121.20 123.38 1sq9 s ILE 194 Ca -0.01 -0.57 -0.03 0.00 -1.41 0.00 0.00 60.65 58.63 1sq9 s ILE 194 Cb 0.01 -1.16 -0.01 0.00 0.13 0.00 0.00 42.46 41.43 1sq9 s ILE 194 CO -0.07 0.39 0.78 -0.94 -1.91 0.00 0.00 174.94 173.19 1sq9 s SER 195 N 0.61 5.90 0.00 4.50 1.04 0.72 -4.92 113.70 121.56 1sq9 s SER 195 Ca -0.15 0.64 0.20 0.00 0.48 0.00 0.00 55.95 57.12 1sq9 s SER 195 Cb -0.16 -1.84 0.96 0.00 0.10 0.00 0.00 66.02 65.08 1sq9 s SER 195 CO 0.05 -0.77 1.64 -0.62 0.98 0.00 0.00 173.24 174.53 1sq9 n GLU 196 N -2.29 0.18 -0.42 4.02 1.02 -1.26 -3.03 120.64 118.86 1sq9 n GLU 196 Ca 0.02 0.12 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 1sq9 n GLU 196 Cb 0.57 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.70 1sq9 n GLU 196 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sq9 n ARG 197 N -1.37 2.16 -1.20 3.49 3.00 -1.26 -4.99 116.66 116.49 1sq9 n ARG 197 Ca 0.08 -2.87 0.00 0.00 -0.01 0.00 0.00 57.85 55.05 1sq9 n ARG 197 Cb 0.19 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 30.92 1sq9 n ARG 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sq9 n GLY 198 N -0.93 0.74 3.42 -0.13 0.00 -1.17 -5.01 105.19 102.11 1sq9 n GLY 198 Ca 0.22 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1sq9 n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq9 s LEU 199 N 0.00 2.43 0.03 0.99 1.02 -1.26 -0.23 118.68 121.65 1sq9 s LEU 199 Ca 0.00 -0.71 0.07 0.00 0.02 0.00 0.00 54.13 53.51 1sq9 s LEU 199 Cb 0.00 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 1sq9 s LEU 199 CO 0.00 0.18 -0.19 -0.63 0.02 0.00 0.00 176.35 175.72 1sq9 s ILE 200 N -1.12 1.54 -0.02 -0.59 1.01 -0.09 -0.20 121.20 121.72 1sq9 s ILE 200 Ca 0.15 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1sq9 s ILE 200 Cb -0.10 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1sq9 s ILE 200 CO 0.07 0.24 -0.17 0.00 0.00 0.00 0.00 174.94 175.08 1sq9 s ALA 201 N -0.70 1.40 -0.08 9.38 0.00 -0.52 -0.89 121.76 130.35 1sq9 s ALA 201 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1sq9 s ALA 201 Cb -0.08 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1sq9 s ALA 201 CO 0.01 0.33 -0.09 0.99 0.00 0.00 0.00 175.76 176.99 1sq9 s THR 202 N -0.31 1.01 -0.01 0.00 2.01 -0.12 -1.66 115.64 116.56 1sq9 s THR 202 Ca 0.05 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1sq9 s THR 202 Cb -0.07 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1sq9 s THR 202 CO -0.00 0.34 0.12 -0.83 -0.69 0.00 0.00 174.62 173.56 1sq9 s GLY 203 N 1.07 2.08 0.22 4.40 0.00 -0.22 -0.93 107.32 113.94 1sq9 s GLY 203 Ca -0.07 -0.82 0.11 0.00 0.00 0.00 0.00 44.72 43.94 1sq9 s GLY 203 CO -0.01 -0.69 -0.21 -1.36 0.00 0.00 0.00 173.10 170.83 1sq9 s PHE 204 N -1.23 2.16 -2.00 1.90 0.40 -0.25 -1.27 117.98 117.68 1sq9 s PHE 204 Ca 0.24 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 1sq9 s PHE 204 Cb -0.12 -1.01 0.30 0.00 0.51 0.00 0.00 43.02 42.70 1sq9 s PHE 204 CO 0.15 0.54 0.88 0.27 0.70 0.00 0.00 175.22 177.76 1sq9 n ASN 205 N -0.12 0.00 -0.74 1.36 6.94 -0.23 -2.06 115.26 120.40 1sq9 n ASN 205 Ca -0.09 -1.13 0.07 0.00 -0.02 0.00 0.00 54.58 53.41 1sq9 n ASN 205 Cb 0.58 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 38.16 1sq9 n ASN 205 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1sq9 n ASN 206 N -0.62 2.94 0.00 0.53 6.94 -1.26 -3.76 115.26 120.03 1sq9 n ASN 206 Ca 0.04 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 1sq9 n ASN 206 Cb 0.02 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1sq9 n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sq9 n GLY 207 N 0.75 0.77 3.84 4.83 0.00 -0.88 -4.81 105.19 109.69 1sq9 n GLY 207 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1sq9 n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sq9 s THR 208 N -2.65 4.69 -0.03 2.61 2.01 -1.26 -1.59 115.64 119.42 1sq9 s THR 208 Ca 0.00 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1sq9 s THR 208 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1sq9 s THR 208 CO 0.00 0.03 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.12 1sq9 s VAL 209 N -1.72 1.29 -0.07 3.82 1.01 0.60 -1.09 120.40 124.23 1sq9 s VAL 209 Ca 0.47 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1sq9 s VAL 209 Cb -0.13 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1sq9 s VAL 209 CO 0.19 0.37 -0.24 -1.58 0.00 0.00 0.00 175.10 173.85 1sq9 s GLN 210 N -0.08 2.67 -0.14 2.72 0.74 -0.11 -0.76 119.66 124.71 1sq9 s GLN 210 Ca -0.00 -0.85 -0.04 0.00 0.05 0.00 0.00 55.36 54.51 1sq9 s GLN 210 Cb -0.09 -2.14 -0.03 0.00 1.10 0.00 0.00 33.01 31.84 1sq9 s GLN 210 CO 0.01 0.27 0.00 0.42 -0.55 0.00 0.00 175.29 175.45 1sq9 s ILE 211 N 0.09 4.28 0.18 -2.34 -1.09 0.33 -0.94 121.20 121.70 1sq9 s ILE 211 Ca -0.10 -0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1sq9 s ILE 211 Cb -0.15 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 1sq9 s ILE 211 CO 0.06 0.53 -0.10 -0.44 -1.23 0.00 0.00 174.94 173.75 1sq9 s SER 212 N -0.11 2.04 -0.23 3.58 0.01 -0.07 -0.24 113.70 118.68 1sq9 s SER 212 Ca 0.04 -1.04 -0.15 0.00 1.31 0.00 0.00 55.95 56.11 1sq9 s SER 212 Cb -0.13 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1sq9 s SER 212 CO 0.02 -0.31 0.37 -0.70 0.41 0.00 0.00 173.24 173.04 1sq9 s GLU 213 N -3.73 4.11 0.44 12.44 2.12 -0.38 -0.91 118.70 132.78 1sq9 s GLU 213 Ca 0.20 0.11 0.12 0.00 0.36 0.00 0.00 54.97 55.76 1sq9 s GLU 213 Cb 0.02 -3.58 0.98 0.00 0.26 0.00 0.00 34.13 31.81 1sq9 s GLU 213 CO 0.03 -0.11 2.02 1.25 -0.54 0.00 0.00 175.26 177.91 1sq9 h LEU 214 N 7.96 0.16 0.10 2.70 5.85 -0.92 0.38 115.31 131.54 1sq9 h LEU 214 Ca -0.35 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.16 1sq9 h LEU 214 Cb 1.16 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.17 1sq9 h LEU 214 CO 0.69 0.23 -0.85 0.77 -0.34 0.00 0.00 178.44 178.94 1sq9 h SER 215 N 0.17 0.57 0.43 1.25 4.64 -1.94 -3.36 113.55 115.31 1sq9 h SER 215 Ca 0.04 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1sq9 h SER 215 Cb 0.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sq9 h SER 215 CO 0.01 1.39 -1.35 0.35 -0.87 0.00 0.00 176.83 176.36 1sq9 n THR 216 N -4.08 0.23 -2.91 2.95 -2.24 -1.21 -4.97 114.28 102.05 1sq9 n THR 216 Ca -0.13 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.07 1sq9 n THR 216 Cb 0.82 0.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1sq9 n THR 216 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sq9 n LEU 217 N -2.25 -2.52 -4.61 3.22 4.32 0.13 -5.00 117.00 110.30 1sq9 n LEU 217 Ca -0.01 -0.25 -0.34 0.00 -0.02 0.00 0.00 56.01 55.40 1sq9 n LEU 217 Cb 0.51 -2.46 -0.11 0.00 -1.62 0.00 0.00 43.42 39.74 1sq9 n LEU 217 CO 0.42 0.22 -0.36 -0.13 -1.22 0.00 0.00 177.39 176.32 1sq9 s ARG 218 N -5.51 2.87 0.30 3.23 0.52 -1.22 -4.78 118.95 114.36 1sq9 s ARG 218 Ca 0.26 -0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 54.68 1sq9 s ARG 218 Cb -0.12 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.59 1sq9 s ARG 218 CO 0.32 0.65 1.25 -1.25 0.02 0.00 0.00 175.30 176.30 1sq9 s PRO 219 N -0.77 4.44 -0.21 3.54 0.04 -1.26 -1.25 135.00 139.53 1sq9 s PRO 219 Ca 0.12 2.08 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1sq9 s PRO 219 Cb -0.11 -3.12 -0.13 0.00 0.04 0.00 0.00 34.50 31.18 1sq9 s PRO 219 CO 0.02 -0.08 -0.04 1.28 0.04 0.00 0.00 177.00 178.21 1sq9 n LEU 220 N 1.18 1.88 -3.75 -3.56 4.77 0.67 -4.88 117.00 113.31 1sq9 n LEU 220 Ca 0.01 0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 56.38 1sq9 n LEU 220 Cb 0.43 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1sq9 n LEU 220 CO 0.57 0.13 0.66 -0.72 -1.33 0.00 0.00 177.39 176.70 1sq9 s TYR 221 N -2.41 -0.17 -0.00 -1.77 -0.85 -1.13 -5.03 117.35 105.99 1sq9 s TYR 221 Ca -0.28 -0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 1sq9 s TYR 221 Cb 0.07 0.64 -0.00 0.00 0.38 0.00 0.00 41.96 43.05 1sq9 s TYR 221 CO 0.47 -0.88 0.09 0.54 -1.52 0.00 0.00 175.55 174.25 1sq9 s ASN 222 N -2.90 0.06 0.16 -0.18 4.22 -1.26 -0.52 114.94 114.52 1sq9 s ASN 222 Ca 0.11 -0.20 -0.01 0.00 -2.14 0.00 0.00 52.86 50.62 1sq9 s ASN 222 Cb -0.02 0.18 -0.04 0.00 1.28 0.00 0.00 41.25 42.65 1sq9 s ASN 222 CO 0.02 -0.29 0.08 0.72 -2.04 0.00 0.00 177.10 175.59 1sq9 s PHE 223 N -1.14 1.01 0.01 1.54 -0.12 0.06 -4.97 117.98 114.38 1sq9 s PHE 223 Ca -0.12 -1.28 0.08 0.00 -0.05 0.00 0.00 56.93 55.55 1sq9 s PHE 223 Cb -0.07 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 1sq9 s PHE 223 CO 0.01 -0.55 -0.24 -1.21 -0.05 0.00 0.00 175.22 173.18 1sq9 s GLU 224 N -4.09 2.03 0.01 1.99 2.02 -1.26 -0.29 118.70 119.10 1sq9 s GLU 224 Ca 0.30 -0.98 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 1sq9 s GLU 224 Cb 0.07 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 1sq9 s GLU 224 CO 0.06 0.55 0.97 0.77 0.02 0.00 0.00 175.26 177.62 1sq9 h SER 225 N 5.08 -0.12 0.00 -0.19 0.02 -1.65 -3.49 113.55 113.20 1sq9 h SER 225 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1sq9 h SER 225 Cb 1.14 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1sq9 h SER 225 CO 0.46 -0.08 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1sq9 n GLN 226 N -2.43 0.00 -1.42 3.45 10.64 -1.26 -5.15 117.38 121.22 1sq9 n GLN 226 Ca -0.02 0.00 0.17 0.00 -1.83 0.00 0.00 57.00 55.33 1sq9 n GLN 226 Cb 0.06 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.35 1sq9 n GLN 226 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1sq9 n HIS 227 N -0.93 -3.80 0.00 2.61 -0.00 -1.26 -4.99 115.22 106.85 1sq9 n HIS 227 Ca 0.00 2.09 0.00 0.00 0.46 0.00 0.00 57.72 60.27 1sq9 n HIS 227 Cb 0.00 -3.46 0.00 0.00 -0.12 0.00 0.00 29.99 26.41 1sq9 n HIS 227 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1sq9 n ASN 231 N -4.30 0.00 -4.88 0.26 4.05 -1.26 -4.78 115.26 104.35 1sq9 n ASN 231 Ca -0.09 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.64 1sq9 n ASN 231 Cb 0.67 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.69 1sq9 n ASN 231 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1sq9 s ASN 232 N 0.00 6.25 0.36 1.20 0.02 -1.26 -5.03 114.94 116.48 1sq9 s ASN 232 Ca 0.00 1.30 -0.26 0.00 -1.02 0.00 0.00 52.86 52.88 1sq9 s ASN 232 Cb 0.00 -2.42 -0.09 0.00 0.02 0.00 0.00 41.25 38.76 1sq9 s ASN 232 CO 0.00 -0.79 1.13 -0.55 0.02 0.00 0.00 177.10 176.92 1sq9 s SER 233 N -4.12 6.80 -0.03 -1.22 0.15 -1.26 -4.90 113.70 109.12 1sq9 s SER 233 Ca 0.53 2.28 0.07 0.00 0.70 0.00 0.00 55.95 59.53 1sq9 s SER 233 Cb -0.11 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.70 1sq9 s SER 233 CO 0.51 -0.47 1.06 -0.46 1.20 0.00 0.00 173.24 175.07 1sq9 n ASN 234 N 0.42 0.65 -4.69 5.45 0.23 -1.25 -3.77 115.26 112.30 1sq9 n ASN 234 Ca 0.03 -2.29 -0.42 0.00 -0.53 0.00 0.00 54.58 51.37 1sq9 n ASN 234 Cb 0.46 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1sq9 n ASN 234 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1sq9 n SER 235 N -0.30 2.43 -4.76 0.53 2.88 -1.25 -3.06 113.62 110.10 1sq9 n SER 235 Ca 0.05 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.32 1sq9 n SER 235 Cb 0.73 -1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.66 1sq9 n SER 235 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1sq9 s ILE 236 N -1.17 4.38 -0.05 2.46 -1.09 -0.88 -2.06 121.20 122.79 1sq9 s ILE 236 Ca 0.59 1.84 0.08 0.00 -2.23 0.00 0.00 60.65 60.93 1sq9 s ILE 236 Cb -0.54 -4.21 -0.12 0.00 -1.58 0.00 0.00 42.46 36.01 1sq9 s ILE 236 CO 0.59 0.46 0.10 0.54 -1.23 0.00 0.00 174.94 175.41 1sq9 n ARG 237 N 1.96 1.61 -3.66 2.79 1.74 0.44 -4.64 116.66 116.88 1sq9 n ARG 237 Ca -0.03 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.87 1sq9 n ARG 237 Cb 0.49 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 1sq9 n ARG 237 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1sq9 s SER 238 N -3.65 -0.61 -0.06 0.55 0.15 -1.19 -4.77 113.70 104.13 1sq9 s SER 238 Ca -0.04 1.12 0.01 0.00 0.70 0.00 0.00 55.95 57.74 1sq9 s SER 238 Cb 0.04 1.13 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 1sq9 s SER 238 CO 0.37 -0.25 -0.06 0.68 1.20 0.00 0.00 173.24 175.19 1sq9 s VAL 239 N 0.14 0.68 -0.05 4.45 -7.23 -1.26 -1.27 120.40 115.86 1sq9 s VAL 239 Ca -0.01 -0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 59.96 1sq9 s VAL 239 Cb -0.04 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 36.24 1sq9 s VAL 239 CO 0.02 0.27 0.10 -0.54 -0.31 0.00 0.00 175.10 174.63 1sq9 s LYS 240 N 1.06 0.02 0.19 4.82 -0.14 -0.35 -4.33 119.74 121.01 1sq9 s LYS 240 Ca -0.09 0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 54.57 1sq9 s LYS 240 Cb -0.14 -0.26 -0.08 0.00 -1.68 0.00 0.00 37.83 35.67 1sq9 s LYS 240 CO -0.01 -0.21 0.93 -0.06 -0.76 0.00 0.00 175.35 175.25 1sq9 s PHE 241 N 1.45 3.93 0.44 3.18 0.08 -1.26 -0.45 117.98 125.34 1sq9 s PHE 241 Ca -0.05 1.86 -0.23 0.00 0.12 0.00 0.00 56.93 58.62 1sq9 s PHE 241 Cb -0.12 -2.99 -0.08 0.00 -0.57 0.00 0.00 43.02 39.26 1sq9 s PHE 241 CO -0.05 0.38 1.15 0.45 -0.10 0.00 0.00 175.22 177.06 1sq9 s SER 242 N -0.81 6.31 0.55 1.36 0.15 -0.30 -4.90 113.70 116.07 1sq9 s SER 242 Ca 0.42 2.28 0.33 0.00 0.70 0.00 0.00 55.95 59.69 1sq9 s SER 242 Cb -0.25 -2.60 1.54 0.00 -1.71 0.00 0.00 66.02 63.00 1sq9 s SER 242 CO 0.31 -0.82 2.07 1.55 1.20 0.00 0.00 173.24 177.55 1sq9 h PRO 243 N 2.22 0.00 -6.45 5.44 0.13 -1.88 -3.44 132.00 128.02 1sq9 h PRO 243 Ca -0.49 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.01 1sq9 h PRO 243 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1sq9 h PRO 243 CO 0.61 0.06 -0.71 1.14 -0.23 0.00 0.00 178.00 178.87 1sq9 s GLN 244 N -3.90 2.17 2.51 0.86 -2.07 -1.26 -4.93 119.66 113.04 1sq9 s GLN 244 Ca -0.01 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.38 1sq9 s GLN 244 Cb 0.11 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.77 1sq9 s GLN 244 CO 0.54 0.46 0.00 0.41 -1.32 0.00 0.00 175.29 175.38 1sq9 n GLY 245 N 0.22 0.03 2.81 2.60 0.00 -1.26 -4.29 105.19 105.30 1sq9 n GLY 245 Ca -0.11 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1sq9 n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sq9 n SER 246 N -2.70 4.95 -4.38 1.61 3.41 -1.26 -4.88 113.62 110.36 1sq9 n SER 246 Ca 0.00 -3.64 -0.31 0.00 -0.26 0.00 0.00 58.87 54.66 1sq9 n SER 246 Cb 0.00 -0.71 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 1sq9 n SER 246 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1sq9 s LEU 247 N -3.43 2.32 -0.05 1.04 2.96 -1.26 -1.15 118.68 119.11 1sq9 s LEU 247 Ca 0.45 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1sq9 s LEU 247 Cb 0.23 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1sq9 s LEU 247 CO -0.11 0.28 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.95 1sq9 s LEU 248 N -1.11 1.21 -0.14 -0.68 2.96 0.07 -1.15 118.68 119.85 1sq9 s LEU 248 Ca 0.12 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1sq9 s LEU 248 Cb -0.10 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 1sq9 s LEU 248 CO 0.02 -0.08 0.03 0.00 -1.32 0.00 0.00 176.35 175.00 1sq9 s ALA 249 N 1.08 3.32 -0.12 5.97 0.00 0.40 -0.70 121.76 131.72 1sq9 s ALA 249 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1sq9 s ALA 249 Cb -0.14 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1sq9 s ALA 249 CO -0.01 0.34 -0.18 0.42 0.00 0.00 0.00 175.76 176.33 1sq9 s ILE 250 N -0.11 1.73 -0.17 0.00 -1.09 -0.06 -1.21 121.20 120.28 1sq9 s ILE 250 Ca 0.05 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.59 1sq9 s ILE 250 Cb -0.12 -1.55 -0.05 0.00 -1.58 0.00 0.00 42.46 39.16 1sq9 s ILE 250 CO 0.02 0.49 0.16 0.00 -1.23 0.00 0.00 174.94 174.37 1sq9 s ALA 251 N 0.91 3.73 -0.03 9.38 0.00 -0.39 -0.82 121.76 134.53 1sq9 s ALA 251 Ca -0.07 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 1sq9 s ALA 251 Cb -0.15 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 20.87 1sq9 s ALA 251 CO -0.02 0.28 0.54 -3.38 0.00 0.00 0.00 175.76 173.19 1sq9 s HIS 252 N -0.02 -0.48 0.32 0.00 -3.43 -0.49 -0.42 115.29 110.77 1sq9 s HIS 252 Ca 0.11 0.80 -0.28 0.00 -0.80 0.00 0.00 55.06 54.90 1sq9 s HIS 252 Cb -0.12 0.30 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 1sq9 s HIS 252 CO 0.01 -0.53 1.08 -0.51 -2.00 0.00 0.00 174.74 172.79 1sq9 s ASP 253 N -1.26 7.08 -0.30 7.38 1.01 -0.87 -0.99 116.67 128.71 1sq9 s ASP 253 Ca -0.12 2.20 -0.00 0.00 0.71 0.00 0.00 52.55 55.34 1sq9 s ASP 253 Cb -0.02 -2.61 0.14 0.00 1.01 0.00 0.00 42.92 41.43 1sq9 s ASP 253 CO 0.08 -0.27 0.29 -0.55 0.21 0.00 0.00 175.17 174.93 1sq9 s SER 254 N -1.11 1.75 -1.22 0.27 0.15 -0.59 -3.90 113.70 109.05 1sq9 s SER 254 Ca 0.49 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 1sq9 s SER 254 Cb -0.29 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1sq9 s SER 254 CO 0.37 -0.38 0.68 0.59 1.20 0.00 0.00 173.24 175.70 1sq9 n ASN 255 N 5.19 -3.65 0.00 5.45 5.03 -1.25 -1.61 115.26 124.42 1sq9 n ASN 255 Ca -0.01 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1sq9 n ASN 255 Cb 0.46 -3.26 0.00 0.00 -1.02 0.00 0.00 39.78 35.96 1sq9 n ASN 255 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1sq9 n SER 256 N -2.76 0.00 -4.92 6.41 3.41 -1.26 -5.01 113.62 109.49 1sq9 n SER 256 Ca -0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.25 1sq9 n SER 256 Cb 0.62 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1sq9 n SER 256 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1sq9 s PHE 257 N -2.42 2.80 -0.18 7.33 0.40 -0.64 -4.33 117.98 120.94 1sq9 s PHE 257 Ca 0.00 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1sq9 s PHE 257 Cb 0.00 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 1sq9 s PHE 257 CO 0.00 -0.15 -0.05 0.20 0.70 0.00 0.00 175.22 175.92 1sq9 s GLY 258 N -4.17 1.63 0.25 4.36 0.00 -0.06 -1.54 107.32 107.79 1sq9 s GLY 258 Ca 0.49 -1.00 0.10 0.00 0.00 0.00 0.00 44.72 44.31 1sq9 s GLY 258 CO 0.29 0.15 -0.08 0.00 0.00 0.00 0.00 173.10 173.46 1sq9 s ILE 260 N -2.21 0.34 -0.02 0.00 1.01 -1.26 -1.39 121.20 117.67 1sq9 s ILE 260 Ca 0.29 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1sq9 s ILE 260 Cb -0.07 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1sq9 s ILE 260 CO 0.17 0.05 -0.12 -0.89 0.00 0.00 0.00 174.94 174.15 1sq9 s THR 261 N 1.97 3.23 -0.09 2.92 2.01 -0.00 -1.52 115.64 124.15 1sq9 s THR 261 Ca 0.03 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 1sq9 s THR 261 Cb -0.14 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1sq9 s THR 261 CO -0.06 0.50 0.00 -0.76 -0.69 0.00 0.00 174.62 173.61 1sq9 s LEU 262 N -1.02 3.57 0.03 4.42 1.43 0.81 -0.88 118.68 127.04 1sq9 s LEU 262 Ca 0.13 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1sq9 s LEU 262 Cb -0.11 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1sq9 s LEU 262 CO 0.03 0.36 -0.12 -0.31 0.23 0.00 0.00 176.35 176.54 1sq9 s TYR 263 N -0.77 1.02 -0.00 0.29 1.51 0.13 -0.37 117.35 119.15 1sq9 s TYR 263 Ca 0.12 -0.32 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 1sq9 s TYR 263 Cb -0.12 -0.61 -0.06 0.00 -0.11 0.00 0.00 41.96 41.07 1sq9 s TYR 263 CO 0.02 0.00 0.54 -1.83 -1.11 0.00 0.00 175.55 173.18 1sq9 s GLU 264 N -0.96 4.23 0.00 -0.62 4.04 -0.53 -0.75 118.70 124.11 1sq9 s GLU 264 Ca 0.00 0.64 0.29 0.00 0.04 0.00 0.00 54.97 55.94 1sq9 s GLU 264 Cb -0.07 -3.31 1.25 0.00 0.02 0.00 0.00 34.13 32.02 1sq9 s GLU 264 CO 0.01 0.45 1.86 0.25 -1.84 0.00 0.00 175.26 175.99 1sq9 n THR 265 N 2.50 0.00 -0.06 1.83 -2.24 -0.30 -1.25 114.28 114.77 1sq9 n THR 265 Ca -0.09 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1sq9 n THR 265 Cb 0.51 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1sq9 n THR 265 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sq9 h GLU 266 N 1.29 0.51 0.00 -0.78 4.81 -1.95 -3.39 114.58 115.08 1sq9 h GLU 266 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1sq9 h GLU 266 Cb 0.35 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1sq9 h GLU 266 CO 0.00 0.92 0.00 1.19 -0.73 0.00 0.00 179.01 180.39 1sq9 n PHE 267 N -4.37 0.00 -1.03 0.92 3.72 -1.25 -5.02 117.46 110.43 1sq9 n PHE 267 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1sq9 n PHE 267 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1sq9 n PHE 267 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sq9 n GLY 268 N 0.34 0.39 3.75 1.37 0.00 -0.38 -5.02 105.19 105.63 1sq9 n GLY 268 Ca 0.00 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1sq9 n GLY 268 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sq9 s GLU 269 N -2.05 4.49 0.01 1.61 2.12 -1.20 -4.76 118.70 118.91 1sq9 s GLU 269 Ca 0.00 1.96 -0.30 0.00 0.36 0.00 0.00 54.97 56.99 1sq9 s GLU 269 Cb 0.00 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1sq9 s GLU 269 CO 0.00 -0.06 1.35 0.50 -0.54 0.00 0.00 175.26 176.52 1sq9 s ARG 270 N -0.86 4.31 0.00 4.30 3.52 -1.26 -1.45 118.95 127.51 1sq9 s ARG 270 Ca 0.50 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1sq9 s ARG 270 Cb -0.35 -3.51 -0.00 0.00 -1.56 0.00 0.00 34.95 29.53 1sq9 s ARG 270 CO 0.41 -0.51 0.21 0.44 -0.81 0.00 0.00 175.30 175.04 1sq9 n ILE 271 N 4.50 0.00 0.00 4.11 -5.35 0.50 -4.93 119.36 118.19 1sq9 n ILE 271 Ca 0.12 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1sq9 n ILE 271 Cb 0.44 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 1sq9 n ILE 271 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sq9 n GLY 272 N 0.58 -0.69 3.28 3.28 0.00 -1.13 -4.99 105.19 105.52 1sq9 n GLY 272 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1sq9 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sq9 s SER 273 N 0.00 0.09 -0.15 1.61 1.04 -1.26 -0.13 113.70 114.90 1sq9 s SER 273 Ca 0.00 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 1sq9 s SER 273 Cb 0.00 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1sq9 s SER 273 CO 0.00 -0.82 -0.14 -0.76 0.98 0.00 0.00 173.24 172.50 1sq9 s LEU 274 N -2.93 2.61 0.10 2.42 1.43 -0.57 -4.94 118.68 116.80 1sq9 s LEU 274 Ca 0.13 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1sq9 s LEU 274 Cb 0.04 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1sq9 s LEU 274 CO -0.04 0.12 0.48 -0.94 0.23 0.00 0.00 176.35 176.19 1sq9 s SER 275 N 0.63 -0.37 -0.12 2.29 1.04 -1.26 -3.37 113.70 112.54 1sq9 s SER 275 Ca -0.08 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1sq9 s SER 275 Cb -0.16 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1sq9 s SER 275 CO 0.03 -0.82 0.01 0.68 0.98 0.00 0.00 173.24 174.11 1sq9 s VAL 276 N -3.28 4.32 -0.07 5.02 -7.23 -0.98 -4.71 120.40 113.47 1sq9 s VAL 276 Ca -0.01 -0.23 -0.07 0.00 -1.81 0.00 0.00 61.98 59.87 1sq9 s VAL 276 Cb 0.00 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1sq9 s VAL 276 CO -0.08 0.55 0.31 -2.65 -0.31 0.00 0.00 175.10 172.92 1sq9 n PRO 277 N 2.71 0.00 -4.54 4.82 -0.02 -1.26 -4.20 135.00 132.51 1sq9 n PRO 277 Ca -0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.02 1sq9 n PRO 277 Cb 0.53 -0.22 -0.10 0.00 -0.02 0.00 0.00 33.50 33.69 1sq9 n PRO 277 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sq9 s GLY 286 N 0.88 2.51 0.00 -1.23 0.00 -1.26 -5.03 107.32 103.18 1sq9 s GLY 286 Ca 0.18 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.75 1sq9 s GLY 286 CO 0.10 -2.07 0.00 1.18 0.00 0.00 0.00 173.10 172.30 1sq9 n GLU 287 N -1.04 0.00 -4.11 2.90 -0.58 -1.26 -5.14 120.64 111.41 1sq9 n GLU 287 Ca -0.05 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.60 1sq9 n GLU 287 Cb 0.67 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.43 1sq9 n GLU 287 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1sq9 s PHE 288 N -1.85 0.64 0.03 -0.32 0.40 -1.26 -4.98 117.98 110.64 1sq9 s PHE 288 Ca 0.00 -0.95 -0.18 0.00 -0.60 0.00 0.00 56.93 55.21 1sq9 s PHE 288 Cb 0.00 -0.42 -0.24 0.00 0.51 0.00 0.00 43.02 42.87 1sq9 s PHE 288 CO 0.00 -0.27 1.12 0.00 0.70 0.00 0.00 175.22 176.77 1sq9 h ALA 289 N 3.27 0.07 -2.91 5.36 0.00 -0.91 -2.59 119.26 121.56 1sq9 h ALA 289 Ca -0.34 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 53.70 1sq9 h ALA 289 Cb 1.16 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 1sq9 h ALA 289 CO 0.62 0.50 -0.72 -1.01 0.00 0.00 0.00 179.25 178.64 1sq9 s HIS 290 N -3.18 0.59 -0.57 0.00 3.76 -0.77 -4.58 115.29 110.55 1sq9 s HIS 290 Ca -0.12 -0.61 0.22 0.00 -0.15 0.00 0.00 55.06 54.40 1sq9 s HIS 290 Cb 0.05 -0.37 0.92 0.00 1.11 0.00 0.00 32.58 34.29 1sq9 s HIS 290 CO 0.87 -0.14 1.67 -1.13 -0.85 0.00 0.00 174.74 175.16 1sq9 n SER 291 N 1.17 0.56 -1.11 1.40 3.41 -1.26 -0.88 113.62 116.91 1sq9 n SER 291 Ca -0.21 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1sq9 n SER 291 Cb 0.56 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1sq9 n SER 291 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1sq9 n SER 292 N -2.12 0.34 -4.72 4.04 2.88 -1.26 -4.51 113.62 108.26 1sq9 n SER 292 Ca 0.02 -0.95 -0.39 0.00 -1.33 0.00 0.00 58.87 56.22 1sq9 n SER 292 Cb 0.22 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.72 1sq9 n SER 292 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1sq9 n TRP 293 N 0.00 2.16 -3.17 0.66 5.03 -1.26 -1.50 117.44 119.36 1sq9 n TRP 293 Ca 0.00 0.44 -0.42 0.00 3.03 0.00 0.00 57.50 60.55 1sq9 n TRP 293 Cb 0.00 -2.35 -0.07 0.00 -1.03 0.00 0.00 31.31 27.86 1sq9 n TRP 293 CO 0.00 0.00 0.00 0.08 -0.03 0.00 0.00 177.69 177.74 1sq9 s VAL 294 N -1.28 4.93 0.05 -0.99 1.01 -1.26 -0.35 120.40 122.50 1sq9 s VAL 294 Ca 0.69 0.30 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1sq9 s VAL 294 Cb -0.44 -4.08 -0.25 0.00 0.00 0.00 0.00 36.38 31.62 1sq9 s VAL 294 CO 0.51 -0.38 1.04 0.24 0.00 0.00 0.00 175.10 176.51 1sq9 h MET 295 N 8.61 0.12 -3.12 2.72 0.00 -0.49 -3.43 114.93 119.34 1sq9 h MET 295 Ca -0.27 -0.21 0.02 0.00 0.00 0.00 0.00 59.70 59.24 1sq9 h MET 295 Cb 1.11 0.08 -0.08 0.00 0.00 0.00 0.00 31.60 32.71 1sq9 h MET 295 CO 0.83 0.99 0.15 0.45 0.00 0.00 0.00 176.91 179.33 1sq9 s SER 296 N -6.77 -0.32 0.03 1.22 0.15 -1.17 -4.59 113.70 102.25 1sq9 s SER 296 Ca -0.04 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.16 1sq9 s SER 296 Cb 0.08 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 1sq9 s SER 296 CO 0.84 -1.17 -0.05 -0.76 1.20 0.00 0.00 173.24 173.31 1sq9 s LEU 297 N -2.88 2.29 -0.21 3.45 1.43 -1.26 -1.02 118.68 120.49 1sq9 s LEU 297 Ca 0.09 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 1sq9 s LEU 297 Cb -0.03 0.03 0.08 0.00 0.03 0.00 0.00 46.19 46.29 1sq9 s LEU 297 CO -0.00 -0.32 0.48 -0.55 0.23 0.00 0.00 176.35 176.20 1sq9 s SER 298 N -1.75 -0.58 0.29 2.29 0.15 -0.35 -4.87 113.70 108.87 1sq9 s SER 298 Ca -0.10 1.09 -0.15 0.00 0.70 0.00 0.00 55.95 57.50 1sq9 s SER 298 Cb -0.07 1.16 -0.08 0.00 -1.71 0.00 0.00 66.02 65.32 1sq9 s SER 298 CO -0.02 -0.21 0.69 -0.36 1.20 0.00 0.00 173.24 174.54 1sq9 s PHE 299 N 1.88 3.43 0.99 3.44 0.40 -1.26 -0.77 117.98 126.09 1sq9 s PHE 299 Ca -0.07 1.17 -0.16 0.00 -0.60 0.00 0.00 56.93 57.26 1sq9 s PHE 299 Cb -0.09 -2.49 0.21 0.00 0.51 0.00 0.00 43.02 41.16 1sq9 s PHE 299 CO -0.15 0.17 1.29 0.54 0.70 0.00 0.00 175.22 177.77 1sq9 s ASN 300 N -2.19 2.84 0.23 1.36 4.22 -0.54 -4.65 114.94 116.21 1sq9 s ASN 300 Ca 0.51 0.34 -0.07 0.00 -2.14 0.00 0.00 52.86 51.49 1sq9 s ASN 300 Cb -0.11 -0.42 0.32 0.00 1.28 0.00 0.00 41.25 42.32 1sq9 s ASN 300 CO 0.19 -2.91 1.79 -0.78 -2.04 0.00 0.00 177.10 173.35 1sq9 h ASP 301 N -1.76 0.53 1.53 3.54 1.82 -1.93 -2.62 116.42 117.52 1sq9 h ASP 301 Ca -0.45 0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.15 1sq9 h ASP 301 Cb 1.25 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1sq9 h ASP 301 CO 0.38 0.31 -0.47 0.77 -1.61 0.00 0.00 179.24 178.62 1sq9 h SER 302 N 0.66 0.00 0.00 2.28 4.64 -1.95 -3.46 113.55 115.72 1sq9 h SER 302 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1sq9 h SER 302 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1sq9 h SER 302 CO -0.24 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 1sq9 n GLY 303 N 1.22 0.69 0.21 -0.77 0.00 -0.99 -4.29 105.19 101.25 1sq9 n GLY 303 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1sq9 n GLY 303 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sq9 h GLU 304 N 4.17 0.00 -5.72 1.61 5.08 -1.92 -3.44 114.58 114.36 1sq9 h GLU 304 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1sq9 h GLU 304 Cb 0.00 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 28.95 1sq9 h GLU 304 CO 0.00 0.20 -0.85 0.99 -1.00 0.00 0.00 179.01 178.35 1sq9 s THR 305 N -3.37 1.53 -0.11 1.13 2.01 -1.26 -1.52 115.64 114.05 1sq9 s THR 305 Ca 0.03 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1sq9 s THR 305 Cb 0.08 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.31 1sq9 s THR 305 CO 0.66 0.43 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.59 1sq9 s LEU 306 N -0.30 1.98 -0.14 4.42 2.96 -0.37 -1.46 118.68 125.77 1sq9 s LEU 306 Ca 0.04 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1sq9 s LEU 306 Cb -0.09 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1sq9 s LEU 306 CO 0.00 0.10 0.08 0.00 -1.32 0.00 0.00 176.35 175.21 1sq9 s SER 308 N -0.43 3.19 -0.20 0.00 1.04 0.23 -1.21 113.70 116.32 1sq9 s SER 308 Ca 0.10 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 1sq9 s SER 308 Cb -0.12 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.45 1sq9 s SER 308 CO 0.02 0.31 0.03 0.00 0.98 0.00 0.00 173.24 174.58 1sq9 s ALA 309 N -0.52 3.20 0.11 5.32 0.00 -0.19 -1.50 121.76 128.18 1sq9 s ALA 309 Ca 0.07 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1sq9 s ALA 309 Cb -0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1sq9 s ALA 309 CO 0.00 -0.04 -0.04 0.20 0.00 0.00 0.00 175.76 175.88 1sq9 s GLY 310 N 0.79 1.84 0.00 0.00 0.00 -0.47 0.21 107.32 109.70 1sq9 s GLY 310 Ca 0.02 -1.21 0.15 0.00 0.00 0.00 0.00 44.72 43.68 1sq9 s GLY 310 CO 0.02 -1.20 1.46 1.87 0.00 0.00 0.00 173.10 175.26 1sq9 n TRP 311 N 0.52 0.00 1.70 1.90 -0.00 0.52 -1.06 117.44 121.02 1sq9 n TRP 311 Ca -0.12 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.48 1sq9 n TRP 311 Cb 0.53 -0.48 0.46 0.00 -0.00 0.00 0.00 31.31 31.82 1sq9 n TRP 311 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1sq9 n ASP 312 N -1.48 0.64 0.00 5.87 5.75 -1.26 -4.12 116.55 121.94 1sq9 n ASP 312 Ca 0.04 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1sq9 n ASP 312 Cb 0.16 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1sq9 n ASP 312 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sq9 n GLY 313 N 0.91 0.41 3.28 6.12 0.00 -0.41 -4.88 105.19 110.61 1sq9 n GLY 313 Ca 0.14 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1sq9 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sq9 s LYS 314 N -2.22 1.26 -0.20 1.61 1.02 -1.25 -0.31 119.74 119.66 1sq9 s LYS 314 Ca 0.00 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.87 1sq9 s LYS 314 Cb 0.00 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 1sq9 s LYS 314 CO 0.00 0.36 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.26 1sq9 s LEU 315 N -1.60 3.10 -0.05 3.17 1.43 -0.06 -1.36 118.68 123.30 1sq9 s LEU 315 Ca 0.07 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1sq9 s LEU 315 Cb -0.10 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1sq9 s LEU 315 CO 0.03 0.05 -0.13 -0.13 0.23 0.00 0.00 176.35 176.40 1sq9 s ARG 316 N 1.09 2.52 -0.17 1.70 0.52 -0.56 -0.53 118.95 123.52 1sq9 s ARG 316 Ca 0.02 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 1sq9 s ARG 316 Cb -0.15 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1sq9 s ARG 316 CO 0.01 0.63 -0.10 -0.06 0.02 0.00 0.00 175.30 175.79 1sq9 s PHE 317 N -0.76 2.87 -0.09 -0.53 0.40 -0.30 -0.60 117.98 118.97 1sq9 s PHE 317 Ca 0.12 -0.89 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1sq9 s PHE 317 Cb -0.11 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 1sq9 s PHE 317 CO 0.01 -0.43 -0.14 -1.58 0.70 0.00 0.00 175.22 173.79 1sq9 s TRP 318 N 0.94 2.76 -0.37 0.36 0.52 0.66 0.32 118.94 124.12 1sq9 s TRP 318 Ca -0.02 -0.37 -0.25 0.00 0.02 0.00 0.00 56.10 55.49 1sq9 s TRP 318 Cb -0.15 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1sq9 s TRP 318 CO -0.01 0.01 0.86 0.34 0.02 0.00 0.00 176.95 178.17 1sq9 s ASP 319 N -0.25 6.61 0.16 2.95 2.15 0.43 -1.24 116.67 127.48 1sq9 s ASP 319 Ca 0.01 0.44 -0.16 0.00 0.43 0.00 0.00 52.55 53.28 1sq9 s ASP 319 Cb -0.13 -2.43 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 1sq9 s ASP 319 CO 0.03 -0.81 1.82 0.58 -0.17 0.00 0.00 175.17 176.62 1sq9 h VAL 320 N 5.81 1.10 -0.18 1.11 2.07 -1.57 0.11 116.25 124.70 1sq9 h VAL 320 Ca -0.24 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1sq9 h VAL 320 Cb 1.09 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1sq9 h VAL 320 CO 0.95 0.11 -0.06 0.11 0.02 0.00 0.00 177.57 178.70 1sq9 h LYS 321 N 0.58 -0.02 -0.00 1.57 1.57 -1.92 -2.89 116.57 115.46 1sq9 h LYS 321 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1sq9 h LYS 321 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1sq9 h LYS 321 CO -0.04 -0.01 -0.42 0.25 -0.57 0.00 0.00 179.45 178.66 1sq9 n THR 322 N -5.20 0.00 -2.63 -0.16 -2.24 -1.20 -4.94 114.28 97.91 1sq9 n THR 322 Ca -0.03 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1sq9 n THR 322 Cb 0.13 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1sq9 n THR 322 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sq9 n LYS 323 N -1.46 -2.89 -4.37 -0.78 5.02 0.37 -4.98 118.16 109.07 1sq9 n LYS 323 Ca 0.06 0.98 -0.30 0.00 -2.02 0.00 0.00 58.31 57.02 1sq9 n LYS 323 Cb 0.34 -5.71 -0.11 0.00 -0.02 0.00 0.00 35.03 29.52 1sq9 n LYS 323 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sq9 s GLU 324 N -5.29 2.19 -0.12 1.97 0.41 -1.11 -4.59 118.70 112.17 1sq9 s GLU 324 Ca 0.11 -0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 53.42 1sq9 s GLU 324 Cb -0.05 -2.32 -0.02 0.00 -1.78 0.00 0.00 34.13 29.97 1sq9 s GLU 324 CO 0.14 0.53 1.17 0.50 -0.49 0.00 0.00 175.26 177.11 1sq9 s ARG 325 N -1.88 4.31 -0.16 1.61 3.00 -1.26 -0.43 118.95 124.15 1sq9 s ARG 325 Ca 0.19 1.59 -0.24 0.00 -1.00 0.00 0.00 55.73 56.27 1sq9 s ARG 325 Cb -0.11 -3.63 -0.24 0.00 0.00 0.00 0.00 34.95 30.98 1sq9 s ARG 325 CO 0.11 -0.53 0.52 0.82 0.00 0.00 0.00 175.30 176.21 1sq9 h ILE 326 N 5.23 1.31 -3.48 4.11 2.04 -0.48 -3.47 117.51 122.77 1sq9 h ILE 326 Ca -0.29 -2.30 -0.05 0.00 1.00 0.00 0.00 64.86 63.22 1sq9 h ILE 326 Cb 1.13 2.81 -0.12 0.00 -0.74 0.00 0.00 36.82 39.90 1sq9 h ILE 326 CO 0.92 0.51 -0.09 0.28 0.00 0.00 0.00 178.15 179.77 1sq9 s THR 327 N -2.33 0.05 -0.03 -0.27 -1.32 -1.16 -4.95 115.64 105.63 1sq9 s THR 327 Ca -0.23 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.39 1sq9 s THR 327 Cb 0.02 -1.52 0.01 0.00 -1.51 0.00 0.00 72.50 69.50 1sq9 s THR 327 CO 0.67 -0.23 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.90 1sq9 s THR 328 N -3.88 0.54 -0.13 5.08 2.01 -1.26 -1.15 115.64 116.84 1sq9 s THR 328 Ca 0.09 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1sq9 s THR 328 Cb 0.01 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1sq9 s THR 328 CO -0.05 0.20 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.26 1sq9 s LEU 329 N 0.53 3.13 -0.38 4.42 1.43 0.31 -4.97 118.68 123.15 1sq9 s LEU 329 Ca -0.07 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 1sq9 s LEU 329 Cb -0.11 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1sq9 s LEU 329 CO 0.00 0.21 0.29 0.20 0.23 0.00 0.00 176.35 177.28 1sq9 s ASN 330 N 0.12 6.10 0.16 2.29 0.01 -1.26 -0.89 114.94 121.47 1sq9 s ASN 330 Ca -0.02 -0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 51.17 1sq9 s ASN 330 Cb -0.14 -2.16 -0.07 0.00 0.41 0.00 0.00 41.25 39.29 1sq9 s ASN 330 CO 0.03 -0.36 1.06 -0.04 -1.51 0.00 0.00 177.10 176.28 1sq9 s MET 331 N 1.74 4.63 0.00 -0.60 -1.94 0.58 -5.02 119.30 118.69 1sq9 s MET 331 Ca 0.06 1.64 0.02 0.00 -1.71 0.00 0.00 55.69 55.70 1sq9 s MET 331 Cb -0.18 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.34 1sq9 s MET 331 CO 0.11 0.13 -0.07 -1.01 -0.01 0.00 0.00 175.02 174.16 1sq9 s HIS 332 N -0.19 0.65 0.44 -0.03 3.76 -1.26 -4.10 115.29 114.56 1sq9 s HIS 332 Ca 0.49 -0.17 0.14 0.00 -0.15 0.00 0.00 55.06 55.36 1sq9 s HIS 332 Cb -0.28 -0.41 1.05 0.00 1.11 0.00 0.00 32.58 34.05 1sq9 s HIS 332 CO 0.33 -0.02 2.01 0.00 -0.85 0.00 0.00 174.74 176.22 1sq9 n ASP 334 N -4.47 1.67 0.21 0.00 5.75 -1.26 -3.02 116.55 115.43 1sq9 n ASP 334 Ca 0.07 -2.14 0.10 0.00 -0.01 0.00 0.00 54.79 52.81 1sq9 n ASP 334 Cb 0.31 -0.43 0.29 0.00 -1.03 0.00 0.00 41.12 40.26 1sq9 n ASP 334 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1sq9 h ASP 335 N 0.81 0.00 -2.44 -1.12 3.32 -1.67 -3.44 116.42 111.88 1sq9 h ASP 335 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1sq9 h ASP 335 Cb 0.66 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.23 1sq9 h ASP 335 CO 0.08 0.20 1.18 -0.63 -1.72 0.00 0.00 179.24 178.35 1sq9 s ILE 336 N -3.34 2.79 0.23 0.35 -1.09 -1.17 -4.90 121.20 114.07 1sq9 s ILE 336 Ca 0.03 0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.42 1sq9 s ILE 336 Cb 0.08 -3.02 0.18 0.00 -1.58 0.00 0.00 42.46 38.12 1sq9 s ILE 336 CO 0.66 -0.00 1.81 -0.33 -1.23 0.00 0.00 174.94 175.85 1sq9 h GLU 337 N 9.68 1.15 -5.88 2.79 5.08 -1.88 -3.39 114.58 122.13 1sq9 h GLU 337 Ca -0.48 -0.19 -0.62 0.00 -1.00 0.00 0.00 59.36 57.07 1sq9 h GLU 337 Cb 1.23 -0.20 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 1sq9 h GLU 337 CO 0.94 0.91 0.42 0.42 -1.00 0.00 0.00 179.01 180.71 1sq9 s ILE 338 N -5.58 4.59 0.39 3.13 1.01 -1.26 -4.94 121.20 118.54 1sq9 s ILE 338 Ca -0.12 0.50 0.15 0.00 0.00 0.00 0.00 60.65 61.18 1sq9 s ILE 338 Cb 0.16 -4.36 0.37 0.00 0.01 0.00 0.00 42.46 38.64 1sq9 s ILE 338 CO 0.83 -0.77 1.81 -0.08 0.00 0.00 0.00 174.94 176.74 1sq9 h GLU 339 N 9.02 0.47 0.00 2.79 4.22 -2.00 -0.32 114.58 128.77 1sq9 h GLU 339 Ca -0.25 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.17 1sq9 h GLU 339 Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1sq9 h GLU 339 CO 0.98 0.31 0.00 0.39 -2.18 0.00 0.00 179.01 178.52 1sq9 n GLU 340 N -4.59 0.19 -0.19 1.92 4.71 -1.26 -2.54 120.64 118.88 1sq9 n GLU 340 Ca 0.22 0.42 0.12 0.00 -0.01 0.00 0.00 57.16 57.91 1sq9 n GLU 340 Cb 0.72 -1.86 0.22 0.00 -1.01 0.00 0.00 31.44 29.51 1sq9 n GLU 340 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1sq9 n ASP 341 N -2.22 3.42 -4.73 1.62 8.00 -0.13 -4.91 116.55 117.60 1sq9 n ASP 341 Ca 0.02 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.12 1sq9 n ASP 341 Cb 0.23 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1sq9 n ASP 341 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sq9 s ILE 342 N -1.50 3.76 -0.45 0.53 1.01 -1.05 -3.28 121.20 120.21 1sq9 s ILE 342 Ca 0.39 1.43 -0.00 0.00 0.00 0.00 0.00 60.65 62.46 1sq9 s ILE 342 Cb 0.23 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.91 1sq9 s ILE 342 CO 0.32 0.20 0.23 -0.22 0.00 0.00 0.00 174.94 175.47 1sq9 s LEU 343 N 0.06 5.01 0.38 2.97 2.96 -1.26 -4.97 118.68 123.82 1sq9 s LEU 343 Ca 0.53 -2.37 0.23 0.00 -0.22 0.00 0.00 54.13 52.31 1sq9 s LEU 343 Cb -0.31 -1.76 0.30 0.00 0.50 0.00 0.00 46.19 44.92 1sq9 s LEU 343 CO 0.34 -0.43 1.50 0.00 -1.32 0.00 0.00 176.35 176.45 1sq9 h ALA 344 N 7.53 0.89 -2.91 5.97 0.00 -1.92 -3.44 119.26 125.38 1sq9 h ALA 344 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1sq9 h ALA 344 Cb 1.00 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.59 1sq9 h ALA 344 CO 0.66 0.00 -0.70 0.14 0.00 0.00 0.00 179.25 179.35 1sq9 s VAL 345 N -3.23 0.14 0.00 0.00 -7.23 -1.26 -0.60 120.40 108.21 1sq9 s VAL 345 Ca 0.06 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1sq9 s VAL 345 Cb 0.06 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1sq9 s VAL 345 CO 0.69 -0.55 0.00 -0.90 -0.31 0.00 0.00 175.10 174.03 1sq9 n ASP 346 N 1.44 0.00 0.13 4.85 5.68 0.48 -4.83 116.55 124.31 1sq9 n ASP 346 Ca -0.23 -0.90 0.12 0.00 -0.50 0.00 0.00 54.79 53.29 1sq9 n ASP 346 Cb 0.56 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.02 1sq9 n ASP 346 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sq9 n GLU 347 N -0.90 0.22 -0.18 0.11 -0.58 -1.26 -1.38 120.64 116.67 1sq9 n GLU 347 Ca 0.00 0.40 0.11 0.00 -0.42 0.00 0.00 57.16 57.26 1sq9 n GLU 347 Cb 0.00 -1.88 0.25 0.00 -0.57 0.00 0.00 31.44 29.24 1sq9 n GLU 347 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1sq9 n HIS 348 N -2.29 0.48 -0.99 -0.32 -0.00 -1.26 -4.93 115.22 105.91 1sq9 n HIS 348 Ca 0.03 -0.24 0.00 0.00 0.46 0.00 0.00 57.72 57.97 1sq9 n HIS 348 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 1sq9 n HIS 348 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sq9 n GLY 349 N 1.44 0.77 3.79 1.57 0.00 -0.48 -5.03 105.19 107.26 1sq9 n GLY 349 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1sq9 n GLY 349 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sq9 s ASP 350 N -2.55 7.24 0.32 1.61 -0.00 -1.26 -4.68 116.67 117.35 1sq9 s ASP 350 Ca 0.00 1.70 -0.29 0.00 -0.00 0.00 0.00 52.55 53.96 1sq9 s ASP 350 Cb 0.00 -2.53 -0.12 0.00 -0.00 0.00 0.00 42.92 40.27 1sq9 s ASP 350 CO 0.00 -0.04 1.49 -0.24 -0.00 0.00 0.00 175.17 176.38 1sq9 n SER 351 N 0.59 3.52 -1.48 0.27 2.88 -1.26 -0.38 113.62 117.76 1sq9 n SER 351 Ca 0.01 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.61 1sq9 n SER 351 Cb 0.50 -1.56 0.16 0.00 -0.75 0.00 0.00 64.21 62.56 1sq9 n SER 351 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sq9 n LEU 352 N 1.47 4.77 -0.14 2.46 4.77 0.23 -4.75 117.00 125.81 1sq9 n LEU 352 Ca 0.06 -3.99 0.11 0.00 -0.03 0.00 0.00 56.01 52.17 1sq9 n LEU 352 Cb 0.36 -0.64 0.45 0.00 -2.33 0.00 0.00 43.42 41.27 1sq9 n LEU 352 CO 0.63 1.41 1.20 0.00 -1.33 0.00 0.00 177.39 179.31 1sq9 h ALA 353 N 1.28 1.93 -2.33 -1.18 0.00 -1.91 -3.19 119.26 113.85 1sq9 h ALA 353 Ca 0.31 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.62 1sq9 h ALA 353 Cb 1.63 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.90 1sq9 h ALA 353 CO 0.61 -0.08 -0.84 0.39 0.00 0.00 0.00 179.25 179.33 1sq9 n GLU 354 N -4.48 1.31 -1.95 0.00 1.02 -1.26 -2.83 120.64 112.44 1sq9 n GLU 354 Ca 0.11 -3.85 -0.42 0.00 -0.02 0.00 0.00 57.16 52.99 1sq9 n GLU 354 Cb 0.37 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1sq9 n GLU 354 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1sq9 s PRO 355 N -1.32 4.22 0.62 3.49 0.04 -1.22 -4.33 135.00 136.51 1sq9 s PRO 355 Ca 0.34 2.33 -0.18 0.00 0.04 0.00 0.00 61.00 63.53 1sq9 s PRO 355 Cb 0.10 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1sq9 s PRO 355 CO -0.11 -0.62 1.14 0.41 0.04 0.00 0.00 177.00 177.86 1sq9 n GLY 356 N 3.79 0.15 3.57 0.56 0.00 -1.26 -3.97 105.19 108.03 1sq9 n GLY 356 Ca 0.14 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1sq9 n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sq9 s VAL 357 N -1.44 5.02 0.05 1.61 1.01 -0.23 -0.50 120.40 125.92 1sq9 s VAL 357 Ca 0.79 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 1sq9 s VAL 357 Cb -0.40 -3.37 -0.33 0.00 0.00 0.00 0.00 36.38 32.28 1sq9 s VAL 357 CO 0.44 0.30 1.05 -0.26 0.00 0.00 0.00 175.10 176.63 1sq9 h PHE 358 N 8.10 0.91 -2.95 5.22 0.04 -1.35 -3.39 116.94 123.51 1sq9 h PHE 358 Ca -0.36 -0.64 -0.04 0.00 2.80 0.00 0.00 57.97 59.72 1sq9 h PHE 358 Cb 1.18 -0.05 -0.14 0.00 2.20 0.00 0.00 35.95 39.14 1sq9 h PHE 358 CO 0.71 1.49 0.08 0.34 -0.60 0.00 0.00 178.31 180.33 1sq9 s ASP 359 N -7.48 -0.45 -0.00 2.17 2.15 -1.19 -4.45 116.67 107.42 1sq9 s ASP 359 Ca -0.08 0.03 -0.08 0.00 0.43 0.00 0.00 52.55 52.85 1sq9 s ASP 359 Cb 0.05 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 1sq9 s ASP 359 CO 0.93 -0.83 0.15 0.54 -0.17 0.00 0.00 175.17 175.80 1sq9 s VAL 360 N -3.13 0.07 -0.09 1.11 0.11 -1.26 -1.66 120.40 115.55 1sq9 s VAL 360 Ca -0.02 -0.61 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1sq9 s VAL 360 Cb -0.00 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1sq9 s VAL 360 CO -0.07 -0.34 0.21 -0.75 -3.33 0.00 0.00 175.10 170.83 1sq9 s LYS 361 N -1.24 0.17 0.23 1.54 2.47 0.86 -4.60 119.74 119.18 1sq9 s LYS 361 Ca -0.13 0.48 -0.24 0.00 -1.56 0.00 0.00 55.97 54.52 1sq9 s LYS 361 Cb -0.07 -0.14 -0.09 0.00 -1.46 0.00 0.00 37.83 36.07 1sq9 s LYS 361 CO 0.02 -0.16 0.81 -0.06 0.16 0.00 0.00 175.35 176.12 1sq9 s PHE 362 N 1.23 3.76 -0.07 4.03 0.08 -1.26 -0.87 117.98 124.88 1sq9 s PHE 362 Ca -0.09 1.61 0.02 0.00 0.12 0.00 0.00 56.93 58.59 1sq9 s PHE 362 Cb -0.11 -2.77 -0.02 0.00 -0.57 0.00 0.00 43.02 39.55 1sq9 s PHE 362 CO -0.08 0.37 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.78 1sq9 s LEU 363 N -1.69 2.84 0.78 -0.37 1.02 0.32 -4.94 118.68 116.64 1sq9 s LEU 363 Ca 0.43 -0.18 -0.14 0.00 0.02 0.00 0.00 54.13 54.25 1sq9 s LEU 363 Cb -0.20 -1.60 0.06 0.00 0.02 0.00 0.00 46.19 44.47 1sq9 s LEU 363 CO 0.24 0.31 1.12 0.29 0.02 0.00 0.00 176.35 178.34 1sq9 n LYS 364 N 2.55 0.32 -1.68 1.70 4.01 -1.26 -1.57 118.16 122.23 1sq9 n LYS 364 Ca -0.17 0.18 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 1sq9 n LYS 364 Cb 0.52 -2.37 -0.01 0.00 -0.51 0.00 0.00 35.03 32.66 1sq9 n LYS 364 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1sq9 n LYS 365 N -2.77 2.04 0.00 1.97 4.81 -1.26 -1.88 118.16 121.07 1sq9 n LYS 365 Ca 0.13 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1sq9 n LYS 365 Cb 0.50 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1sq9 n LYS 365 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sq9 n GLY 366 N 1.03 2.65 0.09 3.14 0.00 -1.25 -4.88 105.19 105.98 1sq9 n GLY 366 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1sq9 n GLY 366 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1sq9 h TRP 367 N 0.00 0.21 -3.47 1.61 4.06 -1.66 -3.43 115.95 113.27 1sq9 h TRP 367 Ca 0.00 -0.07 -0.53 0.00 2.06 0.00 0.00 58.89 60.35 1sq9 h TRP 367 Cb 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 1sq9 h TRP 367 CO 0.00 0.63 0.24 1.03 -3.56 0.00 0.00 178.44 176.79 1sq9 s ARG 368 N -4.20 4.57 0.15 0.49 1.81 -1.26 -4.53 118.95 115.98 1sq9 s ARG 368 Ca -0.15 1.22 0.10 0.00 -1.72 0.00 0.00 55.73 55.18 1sq9 s ARG 368 Cb 0.03 -3.38 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 1sq9 s ARG 368 CO 0.71 0.23 -0.23 0.45 -0.68 0.00 0.00 175.30 175.78 1sq9 s SER 369 N 0.07 3.04 0.00 0.23 0.15 -0.59 -3.52 113.70 113.08 1sq9 s SER 369 Ca 0.42 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1sq9 s SER 369 Cb -0.21 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1sq9 s SER 369 CO 0.26 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.40 1sq9 n GLY 370 N 0.64 -0.85 3.08 9.45 0.00 -1.23 -3.22 105.19 113.06 1sq9 n GLY 370 Ca -0.16 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 1sq9 n GLY 370 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sq9 n MET 371 N -0.62 -3.72 -1.03 1.61 2.00 -1.26 -1.76 117.12 112.33 1sq9 n MET 371 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 57.70 58.36 1sq9 n MET 371 Cb 0.00 -5.42 -0.01 0.00 0.00 0.00 0.00 33.22 27.80 1sq9 n MET 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sq9 n GLY 372 N -1.24 0.33 0.09 3.03 0.00 -1.26 -4.90 105.19 101.24 1sq9 n GLY 372 Ca -0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1sq9 n GLY 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq9 h ALA 373 N 0.00 0.28 -0.94 4.61 0.00 -1.65 -3.46 119.26 118.10 1sq9 h ALA 373 Ca -0.02 -0.86 -0.68 0.00 0.00 0.00 0.00 54.91 53.35 1sq9 h ALA 373 Cb 0.57 -0.07 0.08 0.00 0.00 0.00 0.00 17.79 18.37 1sq9 h ALA 373 CO 0.04 1.06 -0.26 -0.25 0.00 0.00 0.00 179.25 179.84 1sq9 n ASP 374 N -3.49 -0.67 0.00 0.00 8.00 -1.23 -0.77 116.55 118.39 1sq9 n ASP 374 Ca -0.04 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1sq9 n ASP 374 Cb 0.95 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1sq9 n ASP 374 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sq9 n LEU 375 N 1.67 0.48 -4.40 0.64 4.77 -1.26 -4.91 117.00 114.00 1sq9 n LEU 375 Ca 0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 1sq9 n LEU 375 Cb 0.17 -1.09 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1sq9 n LEU 375 CO 0.55 -0.36 -0.50 0.20 -1.33 0.00 0.00 177.39 175.94 1sq9 s ASN 376 N -2.26 3.16 0.73 -1.43 0.01 0.05 -4.81 114.94 110.40 1sq9 s ASN 376 Ca 0.00 -0.89 -0.11 0.00 -0.71 0.00 0.00 52.86 51.15 1sq9 s ASN 376 Cb 0.00 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.47 1sq9 s ASN 376 CO 0.00 0.05 1.07 -1.61 -1.51 0.00 0.00 177.10 175.10 1sq9 s GLU 377 N -2.85 2.63 0.17 -0.60 2.02 -1.26 -3.77 118.70 115.04 1sq9 s GLU 377 Ca 0.20 0.90 0.04 0.00 0.02 0.00 0.00 54.97 56.13 1sq9 s GLU 377 Cb -0.07 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 1sq9 s GLU 377 CO 0.09 -1.30 0.15 -1.13 0.02 0.00 0.00 175.26 173.09 1sq9 n SER 378 N -3.26 -0.38 -3.81 -0.19 3.41 -0.61 -2.56 113.62 106.23 1sq9 n SER 378 Ca 0.08 -2.13 -0.09 0.00 -0.26 0.00 0.00 58.87 56.46 1sq9 n SER 378 Cb 0.54 0.88 -0.07 0.00 -0.26 0.00 0.00 64.21 65.31 1sq9 n SER 378 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1sq9 s LEU 379 N 0.00 1.20 -0.07 1.04 2.96 0.13 -0.52 118.68 123.42 1sq9 s LEU 379 Ca 0.20 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1sq9 s LEU 379 Cb 0.01 1.20 0.02 0.00 0.50 0.00 0.00 46.19 47.92 1sq9 s LEU 379 CO 0.14 -0.73 0.18 0.00 -1.32 0.00 0.00 176.35 174.62 1sq9 s VAL 382 N -3.37 1.35 0.30 0.00 -7.23 -0.66 -1.18 120.40 109.61 1sq9 s VAL 382 Ca 0.09 -0.72 0.07 0.00 -1.81 0.00 0.00 61.98 59.62 1sq9 s VAL 382 Cb 0.04 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1sq9 s VAL 382 CO -0.04 0.38 -0.05 0.00 -0.31 0.00 0.00 175.10 175.08 1sq9 h LEU 384 N 2.18 0.00 -1.47 0.00 5.85 -1.04 -1.09 115.31 119.73 1sq9 h LEU 384 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1sq9 h LEU 384 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1sq9 h LEU 384 CO 0.69 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.89 1sq9 n ASP 385 N -3.07 2.01 -3.60 1.25 5.75 -1.26 -4.88 116.55 112.75 1sq9 n ASP 385 Ca -0.03 -2.19 -0.23 0.00 -0.01 0.00 0.00 54.79 52.33 1sq9 n ASP 385 Cb 0.16 -0.46 0.07 0.00 -1.03 0.00 0.00 41.12 39.87 1sq9 n ASP 385 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sq9 n ARG 386 N 0.15 -7.30 -4.42 0.11 1.74 -0.42 -4.32 116.66 102.20 1sq9 n ARG 386 Ca 0.07 0.80 -0.22 0.00 -0.77 0.00 0.00 57.85 57.74 1sq9 n ARG 386 Cb 0.43 -5.81 -0.10 0.00 -1.02 0.00 0.00 32.46 25.96 1sq9 n ARG 386 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1sq9 s SER 387 N -3.61 3.20 -0.03 0.55 1.04 -1.21 -0.32 113.70 113.31 1sq9 s SER 387 Ca 0.43 -1.03 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1sq9 s SER 387 Cb -0.19 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 1sq9 s SER 387 CO 0.74 -0.04 -0.14 -0.51 0.98 0.00 0.00 173.24 174.27 1sq9 s ILE 388 N -2.68 1.19 -0.00 -1.02 2.07 -0.63 -1.76 121.20 118.35 1sq9 s ILE 388 Ca 0.27 -0.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.94 1sq9 s ILE 388 Cb -0.03 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.52 1sq9 s ILE 388 CO 0.12 0.35 -0.06 -0.13 -1.91 0.00 0.00 174.94 173.31 1sq9 s ARG 389 N 0.07 0.48 0.04 3.50 0.52 -0.32 -0.98 118.95 122.25 1sq9 s ARG 389 Ca -0.03 -0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.01 1sq9 s ARG 389 Cb -0.10 -0.45 -0.03 0.00 0.52 0.00 0.00 34.95 34.89 1sq9 s ARG 389 CO 0.01 0.12 -0.24 -1.58 0.02 0.00 0.00 175.30 173.64 1sq9 s TRP 390 N -0.23 2.39 0.06 -0.53 0.51 0.20 -1.26 118.94 120.10 1sq9 s TRP 390 Ca 0.01 -0.37 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1sq9 s TRP 390 Cb -0.03 -1.42 -0.03 0.00 -0.81 0.00 0.00 33.47 31.18 1sq9 s TRP 390 CO -0.00 0.15 -0.07 -0.06 -0.51 0.00 0.00 176.95 176.46 1sq9 s PHE 391 N -0.82 0.76 0.13 -1.98 0.40 -0.34 -0.55 117.98 115.58 1sq9 s PHE 391 Ca 0.12 -0.67 0.09 0.00 -0.60 0.00 0.00 56.93 55.88 1sq9 s PHE 391 Cb -0.10 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 1sq9 s PHE 391 CO 0.03 -0.11 -0.22 -0.98 0.70 0.00 0.00 175.22 174.63 1sq9 s ARG 392 N -2.49 1.24 0.07 0.44 1.70 0.15 -0.69 118.95 119.36 1sq9 s ARG 392 Ca -0.01 -1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 53.67 1sq9 s ARG 392 Cb -0.04 -1.53 -0.05 0.00 -0.57 0.00 0.00 34.95 32.77 1sq9 s ARG 392 CO -0.02 0.35 0.96 -2.00 -1.08 0.00 0.00 175.30 173.51 1sq9 s GLU 393 N -2.16 4.65 0.27 3.89 2.12 -1.06 -0.54 118.70 125.86 1sq9 s GLU 393 Ca 0.11 1.43 0.10 0.00 0.36 0.00 0.00 54.97 56.97 1sq9 s GLU 393 Cb -0.09 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1sq9 s GLU 393 CO 0.05 0.12 -0.05 0.00 -0.54 0.00 0.00 175.26 174.84 1sq9 s ALA 394 N 0.37 3.06 -2.07 6.30 0.00 -0.07 -4.81 121.76 124.53 1sq9 s ALA 394 Ca 0.49 -1.71 0.31 0.00 0.00 0.00 0.00 51.96 51.05 1sq9 s ALA 394 Cb -0.22 -0.65 1.79 0.00 0.00 0.00 0.00 23.12 24.04 1sq9 s ALA 394 CO 0.29 0.27 2.16 0.41 0.00 0.00 0.00 175.76 178.89