#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb n ALA 2 N 0.00 -3.12 -1.96 6.98 0.00 -1.26 -5.05 120.51 116.10 1sqb n ALA 2 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 53.44 54.32 1sqb n ALA 2 Cb 0.00 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.09 1sqb n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqb s THR 3 N -0.99 3.61 0.17 0.00 -4.23 -1.26 -4.89 115.64 108.05 1sqb s THR 3 Ca -0.12 0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 1sqb s THR 3 Cb 0.01 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.41 1sqb s THR 3 CO 0.61 -0.59 1.83 0.22 -0.54 0.00 0.00 174.62 176.15 1sqb h TYR 4 N -0.45 0.61 -0.68 3.99 3.20 -1.99 0.03 116.97 121.67 1sqb h TYR 4 Ca -0.45 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.46 1sqb h TYR 4 Cb 1.25 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 1sqb h TYR 4 CO 0.50 0.38 0.43 0.00 -1.64 0.00 0.00 178.16 177.83 1sqb h ALA 5 N 1.18 0.88 -0.59 1.82 0.00 -2.01 -2.48 119.26 118.06 1sqb h ALA 5 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1sqb h ALA 5 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1sqb h ALA 5 CO -0.04 0.22 0.24 1.96 0.00 0.00 0.00 179.25 181.63 1sqb h GLN 6 N 0.86 0.86 0.00 0.00 4.20 -1.83 -2.85 115.11 116.35 1sqb h GLN 6 Ca 0.27 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1sqb h GLN 6 Cb -0.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1sqb h GLN 6 CO -0.09 0.70 -0.29 0.00 -0.67 0.00 0.00 178.83 178.47 1sqb h ALA 7 N 1.42 1.04 -0.13 3.87 0.00 -0.57 -2.76 119.26 122.14 1sqb h ALA 7 Ca 0.20 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1sqb h ALA 7 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sqb h ALA 7 CO -0.02 0.37 -0.52 -0.07 0.00 0.00 0.00 179.25 179.01 1sqb h LEU 8 N 0.00 0.40 -1.15 0.00 3.38 -1.23 -2.89 115.31 113.83 1sqb h LEU 8 Ca -0.00 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1sqb h LEU 8 Cb 0.78 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1sqb h LEU 8 CO 0.04 0.85 -0.43 1.56 0.09 0.00 0.00 178.44 180.56 1sqb h GLN 9 N 0.29 0.00 -0.26 1.13 1.08 -1.51 -3.28 115.11 112.55 1sqb h GLN 9 Ca 0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1sqb h GLN 9 Cb 1.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 1sqb h GLN 9 CO 0.09 0.43 -0.21 0.77 -0.95 0.00 0.00 178.83 178.96 1sqb h SER 10 N 0.00 0.46 -2.61 1.46 0.02 -1.41 -3.43 113.55 108.04 1sqb h SER 10 Ca -0.00 -0.14 -0.53 0.00 -0.84 0.00 0.00 61.79 60.27 1sqb h SER 10 Cb 0.76 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 63.20 1sqb h SER 10 CO 0.06 0.68 1.05 -0.69 -1.14 0.00 0.00 176.83 176.79 1sqb s VAL 11 N -4.58 2.78 0.67 2.27 1.01 -1.24 -4.97 120.40 116.34 1sqb s VAL 11 Ca -0.07 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1sqb s VAL 11 Cb 0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1sqb s VAL 11 CO 0.78 -0.00 1.20 -2.84 0.00 0.00 0.00 175.10 174.24 1sqb s PRO 12 N 2.66 2.52 0.22 2.72 0.02 -1.26 -4.97 135.00 136.91 1sqb s PRO 12 Ca 0.77 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 1sqb s PRO 12 Cb -0.43 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 1sqb s PRO 12 CO 0.34 -1.54 1.34 -2.00 -0.33 0.00 0.00 177.00 174.81 1sqb s GLU 13 N -3.72 4.36 -0.21 5.54 2.12 -1.26 -4.95 118.70 120.58 1sqb s GLU 13 Ca 0.75 2.12 -0.29 0.00 0.36 0.00 0.00 54.97 57.90 1sqb s GLU 13 Cb -0.29 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1sqb s GLU 13 CO 0.40 -0.28 1.57 0.99 -0.54 0.00 0.00 175.26 177.40 1sqb s THR 14 N 0.01 3.76 -0.37 -1.70 2.01 -1.26 -4.77 115.64 113.32 1sqb s THR 14 Ca 0.57 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.18 1sqb s THR 14 Cb -0.38 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1sqb s THR 14 CO 0.40 -0.28 0.88 -1.10 -0.69 0.00 0.00 174.62 173.82 1sqb s GLN 15 N 4.51 3.80 -0.18 4.92 -1.52 -0.22 -4.91 119.66 126.06 1sqb s GLN 15 Ca 0.69 0.48 -0.05 0.00 -1.95 0.00 0.00 55.36 54.53 1sqb s GLN 15 Cb -0.25 -3.81 -0.03 0.00 -0.22 0.00 0.00 33.01 28.71 1sqb s GLN 15 CO 0.28 -0.92 -0.01 0.08 -0.25 0.00 0.00 175.29 174.47 1sqb s VAL 16 N 3.35 3.98 -0.01 1.09 1.01 -1.26 -1.65 120.40 126.91 1sqb s VAL 16 Ca 0.36 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1sqb s VAL 16 Cb -0.12 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 1sqb s VAL 16 CO 0.18 0.46 -0.06 -0.44 0.00 0.00 0.00 175.10 175.24 1sqb s SER 17 N 0.71 0.73 -0.14 3.32 0.01 0.06 -5.02 113.70 113.38 1sqb s SER 17 Ca -0.01 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 1sqb s SER 17 Cb -0.14 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 1sqb s SER 17 CO 0.02 0.07 0.05 -1.58 0.41 0.00 0.00 173.24 172.21 1sqb s GLN 18 N -0.09 3.53 0.70 12.44 0.74 -1.26 0.08 119.66 135.80 1sqb s GLN 18 Ca 0.02 -0.34 -0.11 0.00 0.05 0.00 0.00 55.36 54.97 1sqb s GLN 18 Cb -0.03 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 31.05 1sqb s GLN 18 CO -0.00 0.50 1.09 -0.51 -0.55 0.00 0.00 175.29 175.82 1sqb s LEU 19 N -0.30 2.92 0.50 3.68 1.02 0.24 -4.98 118.68 121.76 1sqb s LEU 19 Ca 0.08 1.14 0.27 0.00 0.02 0.00 0.00 54.13 55.64 1sqb s LEU 19 Cb -0.12 -3.95 1.33 0.00 0.02 0.00 0.00 46.19 43.46 1sqb s LEU 19 CO 0.02 -1.31 2.01 0.44 0.02 0.00 0.00 176.35 177.53 1sqb h ASP 20 N -0.64 0.00 0.61 2.29 3.32 -2.00 -2.81 116.42 117.19 1sqb h ASP 20 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1sqb h ASP 20 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1sqb h ASP 20 CO 0.64 0.15 -0.52 -0.46 -1.72 0.00 0.00 179.24 177.33 1sqb n ASN 21 N -3.57 0.52 0.00 6.45 6.94 -1.26 -4.95 115.26 119.39 1sqb n ASN 21 Ca -0.01 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.43 1sqb n ASN 21 Cb 0.28 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1sqb n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sqb n GLY 22 N 1.46 0.96 3.63 4.83 0.00 -1.06 -4.16 105.19 110.85 1sqb n GLY 22 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1sqb n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqb s LEU 23 N 0.00 3.90 -0.07 0.99 2.96 -1.22 -3.40 118.68 121.83 1sqb s LEU 23 Ca 0.00 1.53 -0.28 0.00 -0.22 0.00 0.00 54.13 55.16 1sqb s LEU 23 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1sqb s LEU 23 CO 0.00 -1.21 0.92 -0.13 -1.32 0.00 0.00 176.35 174.61 1sqb s ARG 24 N 4.54 4.45 -0.25 1.98 0.52 -1.05 -0.60 118.95 128.54 1sqb s ARG 24 Ca 0.68 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 1sqb s ARG 24 Cb -0.23 -3.50 0.04 0.00 0.52 0.00 0.00 34.95 31.78 1sqb s ARG 24 CO 0.28 -0.17 -0.10 0.08 0.02 0.00 0.00 175.30 175.42 1sqb s VAL 25 N 1.49 2.49 -0.01 3.52 1.01 0.11 -0.60 120.40 128.43 1sqb s VAL 25 Ca 0.46 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1sqb s VAL 25 Cb -0.19 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1sqb s VAL 25 CO 0.21 0.14 -0.11 0.00 0.00 0.00 0.00 175.10 175.33 1sqb s ALA 26 N 1.23 0.95 0.01 5.51 0.00 -0.75 -0.76 121.76 127.96 1sqb s ALA 26 Ca -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1sqb s ALA 26 Cb -0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1sqb s ALA 26 CO -0.06 0.23 -0.04 -1.54 0.00 0.00 0.00 175.76 174.35 1sqb s SER 27 N -0.31 0.49 -0.33 0.00 1.04 -0.66 -1.76 113.70 112.18 1sqb s SER 27 Ca 0.04 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1sqb s SER 27 Cb -0.05 -0.00 0.10 0.00 0.10 0.00 0.00 66.02 66.17 1sqb s SER 27 CO -0.00 -0.07 0.05 -0.70 0.98 0.00 0.00 173.24 173.49 1sqb s GLU 28 N -0.68 1.44 0.10 4.02 2.12 -0.72 -1.06 118.70 123.92 1sqb s GLU 28 Ca -0.04 -1.77 -0.31 0.00 0.36 0.00 0.00 54.97 53.21 1sqb s GLU 28 Cb -0.05 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 1sqb s GLU 28 CO -0.00 -0.92 1.28 -1.14 -0.54 0.00 0.00 175.26 173.94 1sqb s GLN 29 N 0.98 4.39 0.08 4.30 0.74 -1.26 -2.65 119.66 126.23 1sqb s GLN 29 Ca 0.10 1.91 0.01 0.00 0.05 0.00 0.00 55.36 57.43 1sqb s GLN 29 Cb -0.19 -3.29 -0.00 0.00 1.10 0.00 0.00 33.01 30.62 1sqb s GLN 29 CO -0.09 -0.32 0.03 -1.13 -0.55 0.00 0.00 175.29 173.23 1sqb n SER 30 N 3.80 0.75 0.01 6.67 3.41 0.62 -4.78 113.62 124.10 1sqb n SER 30 Ca 0.10 -1.42 0.12 0.00 -0.26 0.00 0.00 58.87 57.41 1sqb n SER 30 Cb 0.44 0.23 0.20 0.00 -0.26 0.00 0.00 64.21 64.82 1sqb n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sqb n SER 31 N -2.13 0.56 -4.62 4.04 7.64 -1.26 -3.77 113.62 114.08 1sqb n SER 31 Ca -0.01 -0.20 -0.40 0.00 1.01 0.00 0.00 58.87 59.27 1sqb n SER 31 Cb 0.12 0.32 0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1sqb n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqb n GLN 32 N -1.66 1.25 0.27 1.43 1.13 -1.26 -4.74 117.38 113.80 1sqb n GLN 32 Ca 0.05 0.46 0.16 0.00 -1.94 0.00 0.00 57.00 55.72 1sqb n GLN 32 Cb 0.36 -2.13 0.62 0.00 0.11 0.00 0.00 30.24 29.21 1sqb n GLN 32 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1sqb h PRO 33 N 1.21 0.00 0.00 -1.09 0.11 -1.95 -3.00 132.00 127.29 1sqb h PRO 33 Ca -0.46 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.08 1sqb h PRO 33 Cb 1.34 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 1sqb h PRO 33 CO 0.55 0.04 -0.27 0.25 -0.21 0.00 0.00 178.00 178.36 1sqb n THR 34 N -3.15 0.00 -3.88 -1.15 -2.24 -1.26 -1.33 114.28 101.27 1sqb n THR 34 Ca 0.01 -2.15 -0.07 0.00 -2.27 0.00 0.00 64.05 59.56 1sqb n THR 34 Cb 0.34 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1sqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqb s THR 36 N -3.87 0.74 -0.00 0.00 2.01 -0.15 -1.92 115.64 112.44 1sqb s THR 36 Ca 0.13 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1sqb s THR 36 Cb -0.05 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1sqb s THR 36 CO 0.08 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.50 1sqb s VAL 37 N 1.82 3.21 0.16 3.82 1.01 -0.52 -1.45 120.40 128.45 1sqb s VAL 37 Ca 0.05 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 1sqb s VAL 37 Cb -0.13 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1sqb s VAL 37 CO -0.07 0.44 0.76 -0.83 0.00 0.00 0.00 175.10 175.40 1sqb s GLY 38 N -1.20 -0.36 -0.20 4.51 0.00 0.06 0.45 107.32 110.58 1sqb s GLY 38 Ca 0.15 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 45.11 1sqb s GLY 38 CO 0.05 0.09 -0.04 0.14 0.00 0.00 0.00 173.10 173.34 1sqb s VAL 39 N -3.59 3.58 -0.28 1.40 1.01 0.50 -0.61 120.40 122.42 1sqb s VAL 39 Ca 0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1sqb s VAL 39 Cb -0.03 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1sqb s VAL 39 CO -0.03 0.44 0.08 0.26 0.00 0.00 0.00 175.10 175.85 1sqb s TRP 40 N 1.08 3.12 -0.16 5.22 0.51 0.25 -1.47 118.94 127.48 1sqb s TRP 40 Ca 0.01 -0.69 -0.06 0.00 -2.12 0.00 0.00 56.10 53.24 1sqb s TRP 40 Cb -0.15 -2.26 -0.04 0.00 -0.81 0.00 0.00 33.47 30.22 1sqb s TRP 40 CO 0.00 -0.47 0.05 0.42 -0.51 0.00 0.00 176.95 176.44 1sqb s ILE 41 N 1.56 4.71 -1.15 2.03 1.09 0.10 -1.06 121.20 128.49 1sqb s ILE 41 Ca 0.05 -0.07 -0.18 0.00 -1.10 0.00 0.00 60.65 59.34 1sqb s ILE 41 Cb -0.16 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.10 1sqb s ILE 41 CO 0.03 0.50 2.07 -0.67 -0.10 0.00 0.00 174.94 176.77 1sqb n ASP 42 N 3.17 3.31 -3.70 3.58 -0.08 0.07 -1.55 116.55 121.35 1sqb n ASP 42 Ca -0.17 -2.77 -0.12 0.00 -1.51 0.00 0.00 54.79 50.22 1sqb n ASP 42 Cb 0.53 -1.43 -0.10 0.00 2.34 0.00 0.00 41.12 42.46 1sqb n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqb s ALA 43 N 4.31 -1.13 0.00 -1.67 0.00 -1.12 -4.97 121.76 117.17 1sqb s ALA 43 Ca 0.53 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1sqb s ALA 43 Cb 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1sqb s ALA 43 CO 0.02 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1sqb n GLY 44 N 3.57 4.45 0.02 0.00 0.00 -1.25 -1.10 105.19 110.87 1sqb n GLY 44 Ca -0.18 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1sqb n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqb n SER 45 N 0.00 2.01 0.21 1.61 3.41 -0.39 -4.35 113.62 116.12 1sqb n SER 45 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1sqb n SER 45 Cb 0.00 1.46 0.54 0.00 -0.26 0.00 0.00 64.21 65.95 1sqb n SER 45 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sqb h ARG 46 N 0.00 0.06 0.00 4.33 2.43 -1.40 -2.29 114.38 117.52 1sqb h ARG 46 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1sqb h ARG 46 Cb 0.79 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1sqb h ARG 46 CO 0.00 0.14 0.00 0.66 -1.51 0.00 0.00 179.97 179.26 1sqb n TYR 47 N -4.42 0.27 -3.73 2.20 4.01 -1.26 -4.78 117.16 109.45 1sqb n TYR 47 Ca -0.02 0.08 -0.37 0.00 -0.16 0.00 0.00 57.90 57.43 1sqb n TYR 47 Cb 0.17 -0.64 -0.06 0.00 -0.31 0.00 0.00 39.34 38.50 1sqb n TYR 47 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1sqb s GLU 48 N -3.05 3.63 0.71 -0.72 2.02 -0.86 -5.04 118.70 115.40 1sqb s GLU 48 Ca 0.11 0.07 -0.11 0.00 0.02 0.00 0.00 54.97 55.07 1sqb s GLU 48 Cb 0.15 -3.19 0.03 0.00 0.10 0.00 0.00 34.13 31.22 1sqb s GLU 48 CO 0.48 0.73 1.09 -1.54 0.02 0.00 0.00 175.26 176.04 1sqb s SER 49 N -1.13 5.25 0.45 -0.19 1.04 -1.26 -4.89 113.70 112.97 1sqb s SER 49 Ca 0.20 0.99 0.19 0.00 0.48 0.00 0.00 55.95 57.81 1sqb s SER 49 Cb -0.14 -1.74 1.15 0.00 0.10 0.00 0.00 66.02 65.39 1sqb s SER 49 CO 0.09 -1.43 1.90 -0.33 0.98 0.00 0.00 173.24 174.45 1sqb h GLU 50 N -0.68 0.31 0.00 4.02 5.08 -1.99 -1.95 114.58 119.37 1sqb h GLU 50 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1sqb h GLU 50 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sqb h GLU 50 CO 0.64 0.20 0.00 0.87 -1.00 0.00 0.00 179.01 179.72 1sqb h LYS 51 N 0.32 0.00 -0.47 2.33 1.79 -2.04 -3.32 116.57 115.18 1sqb h LYS 51 Ca 0.40 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.54 1sqb h LYS 51 Cb 1.08 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 31.35 1sqb h LYS 51 CO -0.11 0.00 -0.96 0.27 -1.08 0.00 0.00 179.45 177.56 1sqb n ASN 52 N -2.54 2.70 0.23 0.86 0.23 -0.76 -4.92 115.26 111.07 1sqb n ASN 52 Ca 0.04 -2.76 0.16 0.00 -0.53 0.00 0.00 54.58 51.50 1sqb n ASN 52 Cb 0.43 -0.42 0.72 0.00 -2.08 0.00 0.00 39.78 38.43 1sqb n ASN 52 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1sqb h ASN 53 N 2.19 0.00 -0.26 0.53 -1.24 -1.60 -2.54 115.58 112.65 1sqb h ASN 53 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1sqb h ASN 53 Cb 1.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.46 1sqb h ASN 53 CO 0.36 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.11 1sqb n GLY 54 N -0.33 1.28 0.27 1.57 0.00 -1.26 -3.51 105.19 103.22 1sqb n GLY 54 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1sqb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb h ALA 55 N 4.49 -0.63 -0.85 4.61 0.00 -1.75 -0.35 119.26 124.78 1sqb h ALA 55 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1sqb h ALA 55 Cb 0.90 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1sqb h ALA 55 CO 0.00 -0.82 0.54 0.78 0.00 0.00 0.00 179.25 179.75 1sqb h GLY 56 N -0.70 1.26 1.15 0.00 0.00 -1.83 0.90 103.07 103.86 1sqb h GLY 56 Ca -0.06 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1sqb h GLY 56 CO 0.11 0.31 0.13 -1.82 0.00 0.00 0.00 176.54 175.27 1sqb h TYR 57 N 1.02 1.10 -0.38 5.60 3.20 -1.70 -1.25 116.97 124.56 1sqb h TYR 57 Ca 0.35 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 1sqb h TYR 57 Cb 0.08 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1sqb h TYR 57 CO -0.03 0.91 -0.05 0.35 -1.64 0.00 0.00 178.16 177.71 1sqb h PHE 58 N 0.99 0.77 -0.86 -3.82 3.04 0.21 -2.20 116.94 115.07 1sqb h PHE 58 Ca 0.20 -0.15 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1sqb h PHE 58 Cb 0.39 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.67 1sqb h PHE 58 CO 0.03 0.82 0.42 0.28 -2.02 0.00 0.00 178.31 177.83 1sqb h VAL 59 N 0.51 1.26 -0.86 1.41 2.07 -0.76 -2.24 116.25 117.64 1sqb h VAL 59 Ca 0.10 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1sqb h VAL 59 Cb 0.54 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1sqb h VAL 59 CO 0.03 0.31 0.57 -0.08 0.02 0.00 0.00 177.57 178.42 1sqb h GLU 60 N 1.22 1.04 0.00 1.57 4.22 -1.04 0.21 114.58 121.79 1sqb h GLU 60 Ca 0.29 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.60 1sqb h GLU 60 Cb 0.11 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1sqb h GLU 60 CO -0.04 0.69 -0.33 0.45 -2.18 0.00 0.00 179.01 177.59 1sqb h HIS 61 N 1.07 0.00 0.00 0.92 3.86 -0.92 -3.29 115.15 116.79 1sqb h HIS 61 Ca 0.34 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1sqb h HIS 61 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1sqb h HIS 61 CO -0.00 0.33 -1.75 1.28 0.86 0.00 0.00 177.93 178.65 1sqb n LEU 62 N -3.62 0.30 0.13 2.43 4.77 -0.23 -4.61 117.00 116.16 1sqb n LEU 62 Ca -0.01 0.12 0.18 0.00 -0.03 0.00 0.00 56.01 56.27 1sqb n LEU 62 Cb 0.45 0.06 0.76 0.00 -2.33 0.00 0.00 43.42 42.35 1sqb n LEU 62 CO 0.36 0.03 1.16 0.00 -1.33 0.00 0.00 177.39 177.61 1sqb h ALA 63 N 1.81 2.09 -0.19 -1.18 0.00 -0.73 -1.33 119.26 119.73 1sqb h ALA 63 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sqb h ALA 63 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sqb h ALA 63 CO 0.01 -0.43 0.00 1.19 0.00 0.00 0.00 179.25 180.02 1sqb n PHE 64 N -4.05 0.24 0.38 0.00 3.72 -1.26 -4.62 117.46 111.87 1sqb n PHE 64 Ca 0.04 -0.22 0.11 0.00 -0.05 0.00 0.00 57.45 57.33 1sqb n PHE 64 Cb 0.43 -0.01 0.27 0.00 -0.94 0.00 0.00 39.48 39.22 1sqb n PHE 64 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1sqb n LYS 65 N 0.69 2.32 0.00 -1.08 4.76 -0.50 -4.60 118.16 119.75 1sqb n LYS 65 Ca 0.10 -2.02 0.00 0.00 -2.87 0.00 0.00 58.31 53.52 1sqb n LYS 65 Cb 0.38 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1sqb n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sqb n GLY 66 N 1.42 4.54 3.78 0.72 0.00 -1.25 -3.62 105.19 110.78 1sqb n GLY 66 Ca 0.19 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1sqb n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqb s THR 67 N -0.58 2.14 0.32 2.61 -4.23 0.10 -2.07 115.64 113.94 1sqb s THR 67 Ca 0.00 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1sqb s THR 67 Cb 0.00 -2.79 0.19 0.00 1.34 0.00 0.00 72.50 71.23 1sqb s THR 67 CO 0.00 0.00 1.89 0.11 -0.54 0.00 0.00 174.62 176.08 1sqb h LYS 68 N 1.27 0.74 0.00 3.99 6.56 -1.72 -2.88 116.57 124.52 1sqb h LYS 68 Ca -0.42 -0.12 -0.02 0.00 -1.06 0.00 0.00 60.65 59.03 1sqb h LYS 68 Cb 1.27 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1sqb h LYS 68 CO 0.67 0.63 -0.80 -0.91 -2.06 0.00 0.00 179.45 176.98 1sqb h ASN 69 N 0.72 0.00 -2.68 0.86 2.35 -1.96 -3.42 115.58 111.45 1sqb h ASN 69 Ca 0.17 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.33 1sqb h ASN 69 Cb 0.19 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.17 1sqb h ASN 69 CO -0.01 0.09 -0.86 -0.13 -1.65 0.00 0.00 177.43 174.87 1sqb s ARG 70 N -3.26 0.82 0.16 0.81 0.52 -1.12 -5.11 118.95 111.78 1sqb s ARG 70 Ca 0.01 -1.72 -0.30 0.00 -0.52 0.00 0.00 55.73 53.21 1sqb s ARG 70 Cb 0.08 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.92 1sqb s ARG 70 CO 0.76 -1.25 1.00 -1.25 0.02 0.00 0.00 175.30 174.57 1sqb s PRO 71 N 0.60 4.70 7.21 3.54 0.05 -1.10 0.02 135.00 150.03 1sqb s PRO 71 Ca 0.22 1.54 0.00 0.00 0.05 0.00 0.00 61.00 62.81 1sqb s PRO 71 Cb -0.15 -3.33 0.00 0.00 0.05 0.00 0.00 34.50 31.07 1sqb s PRO 71 CO -0.06 0.24 0.00 0.41 0.05 0.00 0.00 177.00 177.65 1sqb n GLY 72 N 2.01 3.38 0.38 0.56 0.00 -1.24 -2.52 105.19 107.76 1sqb n GLY 72 Ca 0.01 0.24 0.17 0.00 0.00 0.00 0.00 46.02 46.45 1sqb n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sqb h ASN 73 N 0.00 0.29 -0.91 1.61 -0.26 -1.89 -3.33 115.58 111.08 1sqb h ASN 73 Ca 0.00 0.02 0.22 0.00 -0.56 0.00 0.00 56.30 55.97 1sqb h ASN 73 Cb 0.00 -0.04 -0.17 0.00 -1.06 0.00 0.00 38.32 37.05 1sqb h ASN 73 CO 0.00 0.15 -0.07 0.00 -1.06 0.00 0.00 177.43 176.45 1sqb h ALA 74 N 1.67 0.87 -0.26 -0.83 0.00 -1.75 -1.45 119.26 117.50 1sqb h ALA 74 Ca 0.34 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 1sqb h ALA 74 Cb 0.89 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1sqb h ALA 74 CO -0.09 -0.47 0.00 1.25 0.00 0.00 0.00 179.25 179.95 1sqb h LEU 75 N 0.03 0.45 0.12 0.00 7.12 -1.77 -2.36 115.31 118.90 1sqb h LEU 75 Ca 0.50 -0.31 0.01 0.00 0.13 0.00 0.00 57.88 58.21 1sqb h LEU 75 Cb 0.90 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 1sqb h LEU 75 CO -0.87 0.65 -0.17 -0.33 -0.13 0.00 0.00 178.44 177.58 1sqb h GLU 76 N 0.24 -0.33 -0.75 1.25 5.08 -1.58 -2.24 114.58 116.25 1sqb h GLU 76 Ca 0.07 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1sqb h GLU 76 Cb 0.41 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1sqb h GLU 76 CO 0.01 -0.22 0.46 0.87 -1.00 0.00 0.00 179.01 179.13 1sqb h LYS 77 N -0.34 0.84 -0.24 2.33 1.57 -1.31 0.18 116.57 119.61 1sqb h LYS 77 Ca 0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1sqb h LYS 77 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1sqb h LYS 77 CO -0.08 0.56 -0.06 1.49 -0.57 0.00 0.00 179.45 180.79 1sqb h GLU 78 N 0.87 0.47 -0.06 3.15 4.81 -1.30 -1.00 114.58 121.52 1sqb h GLU 78 Ca 0.32 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1sqb h GLU 78 Cb 0.09 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1sqb h GLU 78 CO -0.14 0.70 -0.03 0.28 -0.73 0.00 0.00 179.01 179.09 1sqb h VAL 79 N 0.21 1.33 -0.54 0.32 2.07 -1.24 -3.21 116.25 115.18 1sqb h VAL 79 Ca 0.06 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1sqb h VAL 79 Cb 0.53 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1sqb h VAL 79 CO 0.02 0.29 0.25 -0.33 0.02 0.00 0.00 177.57 177.82 1sqb h GLU 80 N -0.27 0.47 0.00 1.57 5.08 -0.96 -1.96 114.58 118.52 1sqb h GLU 80 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1sqb h GLU 80 Cb 0.47 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1sqb h GLU 80 CO 0.01 0.31 -0.21 0.77 -1.00 0.00 0.00 179.01 178.89 1sqb h SER 81 N 0.48 0.00 -0.17 1.42 0.02 -1.23 -0.44 113.55 113.63 1sqb h SER 81 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1sqb h SER 81 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1sqb h SER 81 CO -0.20 0.21 0.00 1.15 -1.14 0.00 0.00 176.83 176.85 1sqb n MET 82 N -3.76 1.90 -0.89 3.45 0.00 -1.14 -4.94 117.12 111.75 1sqb n MET 82 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 57.70 56.33 1sqb n MET 82 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.10 1sqb n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sqb n GLY 83 N 1.22 0.75 3.80 3.17 0.00 -0.17 -4.81 105.19 109.15 1sqb n GLY 83 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1sqb n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb s ALA 84 N -2.90 2.76 -0.14 4.61 0.00 -0.75 -4.95 121.76 120.40 1sqb s ALA 84 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 1sqb s ALA 84 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1sqb s ALA 84 CO 0.00 -0.78 -0.10 -1.01 0.00 0.00 0.00 175.76 173.87 1sqb s HIS 85 N -2.45 2.88 -0.21 0.00 0.09 0.20 -4.36 115.29 111.45 1sqb s HIS 85 Ca 0.63 -0.53 -0.04 0.00 -0.00 0.00 0.00 55.06 55.12 1sqb s HIS 85 Cb -0.16 -1.88 -0.02 0.00 -0.00 0.00 0.00 32.58 30.53 1sqb s HIS 85 CO 0.36 -0.16 -0.03 -1.17 -0.00 0.00 0.00 174.74 173.75 1sqb s LEU 86 N 0.36 3.04 0.10 0.89 2.96 -1.26 -0.47 118.68 124.29 1sqb s LEU 86 Ca -0.09 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1sqb s LEU 86 Cb -0.15 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1sqb s LEU 86 CO 0.05 0.02 -0.08 0.21 -1.32 0.00 0.00 176.35 175.23 1sqb s ASN 87 N 1.25 1.24 0.06 3.68 2.47 -0.02 -5.02 114.94 118.60 1sqb s ASN 87 Ca 0.03 -0.91 -0.08 0.00 0.42 0.00 0.00 52.86 52.32 1sqb s ASN 87 Cb -0.14 0.06 -0.00 0.00 -1.45 0.00 0.00 41.25 39.71 1sqb s ASN 87 CO -0.00 -0.37 0.17 0.00 -3.72 0.00 0.00 177.10 173.17 1sqb s ALA 88 N -3.05 -0.21 0.09 1.71 0.00 -1.26 -0.45 121.76 118.59 1sqb s ALA 88 Ca 0.08 -0.52 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 1sqb s ALA 88 Cb 0.01 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.54 1sqb s ALA 88 CO -0.03 -0.42 0.47 1.52 0.00 0.00 0.00 175.76 177.31 1sqb s TYR 89 N -3.20 -0.34 -0.06 0.00 -0.85 -0.53 -5.00 117.35 107.37 1sqb s TYR 89 Ca -0.00 0.23 -0.01 0.00 -0.52 0.00 0.00 57.07 56.77 1sqb s TYR 89 Cb 0.02 0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.71 1sqb s TYR 89 CO -0.07 -0.68 -0.02 -1.12 -1.52 0.00 0.00 175.55 172.14 1sqb s SER 90 N -2.34 1.38 0.38 -0.18 0.01 -1.26 -0.91 113.70 110.78 1sqb s SER 90 Ca -0.02 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.21 1sqb s SER 90 Cb 0.00 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1sqb s SER 90 CO -0.07 -0.15 0.22 0.42 0.41 0.00 0.00 173.24 174.07 1sqb s THR 91 N 1.61 2.73 0.64 1.44 -4.23 0.55 -4.97 115.64 113.42 1sqb s THR 91 Ca -0.00 -1.60 0.21 0.00 -1.18 0.00 0.00 61.69 59.11 1sqb s THR 91 Cb -0.13 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.96 1sqb s THR 91 CO -0.04 -0.08 1.55 0.03 -0.54 0.00 0.00 174.62 175.54 1sqb h ARG 92 N 1.38 0.00 0.00 3.99 3.08 -1.93 -2.69 114.38 118.21 1sqb h ARG 92 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1sqb h ARG 92 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1sqb h ARG 92 CO 0.64 0.00 -0.84 -1.91 -1.07 0.00 0.00 179.97 176.79 1sqb n GLU 93 N -3.00 1.21 -3.86 0.04 2.13 -1.26 -1.26 120.64 114.64 1sqb n GLU 93 Ca 0.05 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 1sqb n GLU 93 Cb 0.80 -0.92 -0.15 0.00 0.27 0.00 0.00 31.44 31.45 1sqb n GLU 93 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1sqb s HIS 94 N -1.69 0.06 -0.07 4.31 3.76 -1.01 -2.80 115.29 117.84 1sqb s HIS 94 Ca 0.00 0.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 1sqb s HIS 94 Cb 0.00 -0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.55 1sqb s HIS 94 CO 0.00 -0.04 -0.14 0.99 -0.85 0.00 0.00 174.74 174.71 1sqb s THR 95 N 0.40 3.08 -0.01 1.30 2.01 -0.26 -0.33 115.64 121.84 1sqb s THR 95 Ca -0.03 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1sqb s THR 95 Cb -0.05 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1sqb s THR 95 CO -0.01 0.57 -0.05 0.00 -0.69 0.00 0.00 174.62 174.44 1sqb s ALA 96 N -0.45 0.46 -0.08 7.40 0.00 -0.09 0.02 121.76 129.02 1sqb s ALA 96 Ca 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1sqb s ALA 96 Cb -0.12 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1sqb s ALA 96 CO 0.02 0.10 -0.15 0.71 0.00 0.00 0.00 175.76 176.44 1sqb s TYR 97 N -0.06 1.80 -0.05 0.00 2.02 -0.54 -1.45 117.35 119.07 1sqb s TYR 97 Ca 0.01 -0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 55.89 1sqb s TYR 97 Cb -0.03 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1sqb s TYR 97 CO -0.00 -0.36 0.20 1.52 -1.57 0.00 0.00 175.55 175.33 1sqb s TYR 98 N 0.72 -0.14 -0.16 2.71 1.13 0.41 -0.37 117.35 121.65 1sqb s TYR 98 Ca -0.13 0.32 -0.02 0.00 -1.41 0.00 0.00 57.07 55.83 1sqb s TYR 98 Cb -0.16 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1sqb s TYR 98 CO 0.03 -0.19 -0.08 0.42 -2.51 0.00 0.00 175.55 173.23 1sqb s ILE 99 N -0.47 3.44 -0.38 -3.49 1.01 0.17 -0.84 121.20 120.65 1sqb s ILE 99 Ca -0.06 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 1sqb s ILE 99 Cb -0.04 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1sqb s ILE 99 CO 0.01 0.49 0.47 -0.54 0.00 0.00 0.00 174.94 175.37 1sqb s LYS 100 N 0.59 3.43 0.15 2.79 1.02 0.38 -1.44 119.74 126.66 1sqb s LYS 100 Ca -0.05 -0.41 -0.09 0.00 0.02 0.00 0.00 55.97 55.44 1sqb s LYS 100 Cb -0.15 -3.87 -0.00 0.00 -0.52 0.00 0.00 37.83 33.29 1sqb s LYS 100 CO 0.03 -0.71 0.28 0.00 -0.92 0.00 0.00 175.35 174.02 1sqb s ALA 101 N 2.28 -0.11 0.53 5.17 0.00 -0.81 -0.63 121.76 128.20 1sqb s ALA 101 Ca 0.16 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 1sqb s ALA 101 Cb -0.16 0.77 -0.06 0.00 0.00 0.00 0.00 23.12 23.67 1sqb s ALA 101 CO 0.14 -0.62 1.19 1.28 0.00 0.00 0.00 175.76 177.74 1sqb n LEU 102 N -0.19 4.45 -0.11 0.00 4.77 -1.26 -0.16 117.00 124.50 1sqb n LEU 102 Ca -0.09 0.95 -0.00 0.00 -0.03 0.00 0.00 56.01 56.83 1sqb n LEU 102 Cb 0.63 -1.48 0.26 0.00 -2.33 0.00 0.00 43.42 40.49 1sqb n LEU 102 CO 0.23 -1.07 1.07 0.28 -1.33 0.00 0.00 177.39 176.57 1sqb h SER 103 N 1.25 0.71 0.67 -1.43 0.02 -1.44 -1.49 113.55 111.84 1sqb h SER 103 Ca -0.49 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1sqb h SER 103 Cb 1.32 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1sqb h SER 103 CO 0.56 0.63 0.00 0.07 -1.14 0.00 0.00 176.83 176.95 1sqb h LYS 104 N 0.78 0.00 -0.40 3.45 2.10 -1.89 -2.23 116.57 118.38 1sqb h LYS 104 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1sqb h LYS 104 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1sqb h LYS 104 CO -0.02 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.18 1sqb n ASP 105 N -2.69 2.66 -0.31 7.07 8.00 -0.57 -4.49 116.55 126.21 1sqb n ASP 105 Ca 0.00 -1.92 0.01 0.00 0.71 0.00 0.00 54.79 53.58 1sqb n ASP 105 Cb 0.22 -0.26 0.14 0.00 -0.02 0.00 0.00 41.12 41.19 1sqb n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1sqb h LEU 106 N 3.17 0.84 -0.40 0.64 5.85 -1.37 -1.54 115.31 122.50 1sqb h LEU 106 Ca 0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1sqb h LEU 106 Cb 0.71 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1sqb h LEU 106 CO 0.00 0.54 -0.00 1.55 -0.34 0.00 0.00 178.44 180.19 1sqb h PRO 107 N 0.98 0.10 -0.53 5.25 0.13 -1.84 -1.80 132.00 134.29 1sqb h PRO 107 Ca 0.37 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.38 1sqb h PRO 107 Cb 0.16 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1sqb h PRO 107 CO -0.17 0.06 -0.11 -0.22 -0.23 0.00 0.00 178.00 177.33 1sqb h LYS 108 N 0.10 1.01 -0.58 0.86 1.63 -1.83 -2.34 116.57 115.42 1sqb h LYS 108 Ca 0.19 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1sqb h LYS 108 Cb 0.28 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1sqb h LYS 108 CO -0.33 1.05 0.33 0.00 -3.45 0.00 0.00 179.45 177.06 1sqb h ALA 109 N 0.96 0.74 -0.26 5.00 0.00 -1.04 -0.68 119.26 123.98 1sqb h ALA 109 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sqb h ALA 109 Cb 0.67 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sqb h ALA 109 CO 0.05 0.24 0.03 0.28 0.00 0.00 0.00 179.25 179.84 1sqb h VAL 110 N 0.78 1.24 -0.53 0.00 2.07 -1.16 -2.06 116.25 116.59 1sqb h VAL 110 Ca 0.21 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1sqb h VAL 110 Cb 0.01 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1sqb h VAL 110 CO -0.04 0.26 0.19 -0.08 0.02 0.00 0.00 177.57 177.93 1sqb h GLU 111 N 0.24 0.36 -0.35 1.57 4.81 -1.11 -1.66 114.58 118.46 1sqb h GLU 111 Ca 0.08 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1sqb h GLU 111 Cb 0.36 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1sqb h GLU 111 CO 0.01 0.24 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.17 1sqb h LEU 112 N 0.37 0.76 -0.76 1.64 3.38 -1.01 -2.73 115.31 116.96 1sqb h LEU 112 Ca 0.26 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1sqb h LEU 112 Cb 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1sqb h LEU 112 CO -0.26 1.00 0.35 -0.07 0.09 0.00 0.00 178.44 179.55 1sqb h LEU 113 N 0.63 1.01 -1.02 1.67 3.38 -0.88 -2.30 115.31 117.79 1sqb h LEU 113 Ca 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sqb h LEU 113 Cb 0.81 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1sqb h LEU 113 CO 0.07 0.87 0.57 0.00 0.09 0.00 0.00 178.44 180.04 1sqb h ALA 114 N 1.18 1.27 -0.48 1.53 0.00 -1.08 -1.09 119.26 120.58 1sqb h ALA 114 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1sqb h ALA 114 Cb 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1sqb h ALA 114 CO -0.03 0.64 0.08 0.22 0.00 0.00 0.00 179.25 180.16 1sqb h ASP 115 N 1.27 0.77 -0.50 0.00 1.82 -1.18 -0.77 116.42 117.83 1sqb h ASP 115 Ca 0.33 -0.26 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 1sqb h ASP 115 Cb -0.08 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 1sqb h ASP 115 CO -0.07 0.83 0.05 0.40 -1.61 0.00 0.00 179.24 178.84 1sqb h ILE 116 N 0.67 1.26 -0.17 2.25 2.04 -1.09 -0.06 117.51 122.41 1sqb h ILE 116 Ca 0.15 -0.99 -0.19 0.00 1.00 0.00 0.00 64.86 64.83 1sqb h ILE 116 Cb 0.39 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1sqb h ILE 116 CO 0.01 0.35 -0.64 0.58 0.00 0.00 0.00 178.15 178.45 1sqb h VAL 117 N 0.71 1.30 0.00 1.67 2.07 -1.08 -3.34 116.25 117.58 1sqb h VAL 117 Ca 0.15 -1.86 -0.34 0.00 0.82 0.00 0.00 66.70 65.46 1sqb h VAL 117 Cb 0.44 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1sqb h VAL 117 CO 0.02 0.58 -2.29 0.00 0.02 0.00 0.00 177.57 175.90 1sqb n GLN 118 N -4.06 0.67 -1.05 1.57 6.02 -0.31 -4.73 117.38 115.49 1sqb n GLN 118 Ca -0.07 0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1sqb n GLN 118 Cb 0.67 -1.46 0.16 0.00 1.02 0.00 0.00 30.24 30.63 1sqb n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1sqb n ASN 119 N -3.08 3.10 -4.57 1.08 4.13 -0.04 -5.02 115.26 110.86 1sqb n ASN 119 Ca -0.38 -3.82 -0.40 0.00 1.68 0.00 0.00 54.58 51.66 1sqb n ASN 119 Cb 0.96 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 38.60 1sqb n ASN 119 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqb s SER 121 N 9.75 5.55 -1.25 0.00 0.01 -0.88 -4.89 113.70 122.00 1sqb s SER 121 Ca 0.95 -1.33 -0.20 0.00 1.31 0.00 0.00 55.95 56.68 1sqb s SER 121 Cb -0.24 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 1sqb s SER 121 CO 0.30 -2.44 1.84 0.18 0.41 0.00 0.00 173.24 173.53 1sqb n LEU 122 N 12.53 4.23 -4.71 2.44 4.32 -1.26 -4.74 117.00 129.81 1sqb n LEU 122 Ca 0.41 -3.60 -0.42 0.00 -0.02 0.00 0.00 56.01 52.38 1sqb n LEU 122 Cb 0.47 -1.73 -0.03 0.00 -1.62 0.00 0.00 43.42 40.52 1sqb n LEU 122 CO 0.65 -0.63 1.05 -1.61 -1.22 0.00 0.00 177.39 175.63 1sqb s GLU 123 N 5.12 4.33 0.31 3.23 0.41 -1.26 -4.90 118.70 125.93 1sqb s GLU 123 Ca 0.60 2.02 0.06 0.00 -0.41 0.00 0.00 54.97 57.23 1sqb s GLU 123 Cb 0.03 -3.32 0.72 0.00 -1.78 0.00 0.00 34.13 29.78 1sqb s GLU 123 CO 0.10 -0.43 1.80 -0.44 -0.49 0.00 0.00 175.26 175.79 1sqb h ASP 124 N 6.98 0.79 0.13 -0.19 3.32 -2.00 0.11 116.42 125.56 1sqb h ASP 124 Ca -0.41 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 1sqb h ASP 124 Cb 1.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1sqb h ASP 124 CO 0.86 0.32 -0.33 0.77 -1.72 0.00 0.00 179.24 179.14 1sqb h SER 125 N 0.79 0.30 0.02 6.45 4.64 -2.00 -3.00 113.55 120.75 1sqb h SER 125 Ca 0.55 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.65 1sqb h SER 125 Cb 0.82 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1sqb h SER 125 CO -0.34 0.62 -0.44 -0.61 -0.87 0.00 0.00 176.83 175.20 1sqb h GLN 126 N 0.26 0.26 0.00 4.77 5.75 -1.23 -2.64 115.11 122.28 1sqb h GLN 126 Ca 0.03 -0.31 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1sqb h GLN 126 Cb 0.72 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 1sqb h GLN 126 CO 0.05 1.04 -0.02 -0.84 -2.65 0.00 0.00 178.83 176.41 1sqb h ILE 127 N -0.38 0.66 -0.03 2.39 -2.65 -1.23 0.29 117.51 116.56 1sqb h ILE 127 Ca -0.06 -0.09 -0.21 0.00 1.03 0.00 0.00 64.86 65.53 1sqb h ILE 127 Cb 1.21 1.06 -0.00 0.00 -2.05 0.00 0.00 36.82 37.03 1sqb h ILE 127 CO 0.09 0.02 -0.87 -0.08 0.03 0.00 0.00 178.15 177.34 1sqb h GLU 128 N 0.00 0.39 -0.08 0.16 4.57 -1.58 -2.93 114.58 115.10 1sqb h GLU 128 Ca -0.00 -0.38 -0.17 0.00 -1.18 0.00 0.00 59.36 57.63 1sqb h GLU 128 Cb 0.05 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1sqb h GLU 128 CO 0.00 1.05 -0.69 -0.22 -1.18 0.00 0.00 179.01 177.97 1sqb h LYS 129 N 0.23 0.36 -0.00 1.92 3.64 -0.64 -3.30 116.57 118.78 1sqb h LYS 129 Ca -0.06 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 58.91 1sqb h LYS 129 Cb 1.48 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 1sqb h LYS 129 CO 0.15 0.92 -0.60 0.93 -2.27 0.00 0.00 179.45 178.58 1sqb h GLU 130 N 0.25 0.01 -0.49 1.90 4.39 -0.57 -3.15 114.58 116.92 1sqb h GLU 130 Ca -0.02 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1sqb h GLU 130 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1sqb h GLU 130 CO 0.12 0.60 0.11 0.07 -1.16 0.00 0.00 179.01 178.75 1sqb h ARG 131 N 0.01 0.75 -0.17 2.33 0.11 -1.59 -0.50 114.38 115.32 1sqb h ARG 131 Ca -0.01 -0.15 -0.11 0.00 0.10 0.00 0.00 59.98 59.82 1sqb h ARG 131 Cb 1.06 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 1sqb h ARG 131 CO 0.08 0.69 -0.36 -0.44 0.10 0.00 0.00 179.97 180.04 1sqb h ASP 132 N 0.73 0.38 -0.18 0.08 3.32 -1.69 -1.51 116.42 117.54 1sqb h ASP 132 Ca 0.16 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1sqb h ASP 132 Cb 0.29 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1sqb h ASP 132 CO -0.00 0.71 -0.17 0.58 -1.72 0.00 0.00 179.24 178.64 1sqb h VAL 133 N 0.31 1.33 -0.50 -1.35 2.07 -1.41 -2.29 116.25 114.41 1sqb h VAL 133 Ca 0.04 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 1sqb h VAL 133 Cb 0.78 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1sqb h VAL 133 CO 0.06 0.40 -0.08 0.40 0.02 0.00 0.00 177.57 178.36 1sqb h ILE 134 N 0.10 1.27 -0.82 4.57 2.04 -1.06 -1.84 117.51 121.78 1sqb h ILE 134 Ca 0.03 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.70 1sqb h ILE 134 Cb 0.70 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1sqb h ILE 134 CO 0.04 0.42 0.53 -0.07 0.00 0.00 0.00 178.15 179.07 1sqb h LEU 135 N 0.80 0.88 -0.67 1.44 3.38 -1.30 -0.69 115.31 119.15 1sqb h LEU 135 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1sqb h LEU 135 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1sqb h LEU 135 CO 0.04 0.62 0.29 1.56 0.09 0.00 0.00 178.44 181.03 1sqb h GLN 136 N 1.04 1.00 -0.24 1.13 1.08 -1.25 -2.27 115.11 115.59 1sqb h GLN 136 Ca 0.32 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1sqb h GLN 136 Cb -0.02 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1sqb h GLN 136 CO -0.10 0.82 0.08 0.93 -0.95 0.00 0.00 178.83 179.60 1sqb h GLU 137 N 0.95 0.33 -0.54 1.46 5.08 -0.63 -0.00 114.58 121.22 1sqb h GLU 137 Ca 0.23 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1sqb h GLU 137 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1sqb h GLU 137 CO -0.02 0.30 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.13 1sqb h LEU 138 N 0.34 1.01 -0.85 1.33 3.38 -0.58 0.22 115.31 120.15 1sqb h LEU 138 Ca 0.08 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1sqb h LEU 138 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1sqb h LEU 138 CO -0.01 1.11 -0.28 1.56 0.09 0.00 0.00 178.44 180.92 1sqb h GLN 139 N 0.89 0.54 -0.09 1.13 4.20 -0.99 -2.04 115.11 118.75 1sqb h GLN 139 Ca 0.14 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1sqb h GLN 139 Cb 0.64 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1sqb h GLN 139 CO 0.04 0.76 0.02 1.49 -0.67 0.00 0.00 178.83 180.48 1sqb h GLU 140 N 0.47 0.14 0.00 1.46 4.81 -0.83 -3.26 114.58 117.37 1sqb h GLU 140 Ca 0.06 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1sqb h GLU 140 Cb 0.72 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1sqb h GLU 140 CO 0.06 0.32 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.49 1sqb h ASN 141 N -0.07 0.00 -0.66 1.04 2.35 -0.30 -2.83 115.58 115.11 1sqb h ASN 141 Ca 0.03 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1sqb h ASN 141 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1sqb h ASN 141 CO 0.00 0.25 0.44 0.44 -1.65 0.00 0.00 177.43 176.91 1sqb h ASP 142 N 0.00 0.53 1.43 5.81 3.32 -1.41 -2.00 116.42 124.09 1sqb h ASP 142 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sqb h ASP 142 Cb 0.47 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1sqb h ASP 142 CO 0.03 0.33 0.00 0.71 -1.72 0.00 0.00 179.24 178.60 1sqb h THR 143 N 0.60 0.00 -2.13 0.35 1.35 -1.61 -3.39 112.91 108.08 1sqb h THR 143 Ca 0.29 -0.63 -0.65 0.00 -0.55 0.00 0.00 66.41 64.87 1sqb h THR 143 Cb 0.37 1.59 -0.15 0.00 -1.73 0.00 0.00 68.15 68.23 1sqb h THR 143 CO -0.09 0.00 0.96 -0.55 -0.25 0.00 0.00 175.52 175.58 1sqb s SER 144 N -5.37 6.49 0.33 5.36 0.15 -0.75 -4.90 113.70 115.01 1sqb s SER 144 Ca 0.06 -1.64 0.11 0.00 0.70 0.00 0.00 55.95 55.18 1sqb s SER 144 Cb 0.08 -2.45 0.93 0.00 -1.71 0.00 0.00 66.02 62.87 1sqb s SER 144 CO 0.58 -1.28 1.73 0.24 1.20 0.00 0.00 173.24 175.71 1sqb h MET 145 N 9.26 0.53 0.11 5.44 0.00 -1.82 -1.44 114.93 127.00 1sqb h MET 145 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 59.70 59.73 1sqb h MET 145 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 31.60 32.51 1sqb h MET 145 CO 1.21 0.35 -0.05 -0.09 0.00 0.00 0.00 176.91 178.33 1sqb h ARG 146 N 0.55 -0.14 -0.90 1.72 2.43 -1.94 -1.92 114.38 114.18 1sqb h ARG 146 Ca 0.64 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 1sqb h ARG 146 Cb 1.28 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 1sqb h ARG 146 CO -0.45 -0.10 0.58 -0.44 -1.51 0.00 0.00 179.97 178.05 1sqb h ASP 147 N -0.15 1.05 0.33 -3.80 5.19 -1.60 -2.71 116.42 114.73 1sqb h ASP 147 Ca -0.01 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1sqb h ASP 147 Cb 0.12 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1sqb h ASP 147 CO 0.02 0.77 -0.16 0.58 -3.12 0.00 0.00 179.24 177.34 1sqb h VAL 148 N 1.22 0.69 -0.82 -1.35 2.07 -1.29 -2.31 116.25 114.47 1sqb h VAL 148 Ca 0.33 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1sqb h VAL 148 Cb -0.11 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1sqb h VAL 148 CO -0.07 0.03 0.42 0.58 0.02 0.00 0.00 177.57 178.55 1sqb h VAL 149 N -0.52 1.25 -0.26 2.57 2.07 -1.19 0.15 116.25 120.32 1sqb h VAL 149 Ca -0.05 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.66 1sqb h VAL 149 Cb 0.39 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1sqb h VAL 149 CO 0.07 0.29 -0.44 -0.26 0.02 0.00 0.00 177.57 177.25 1sqb h PHE 150 N 1.16 0.77 -0.58 1.57 -1.00 -1.54 0.15 116.94 117.48 1sqb h PHE 150 Ca 0.29 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 1sqb h PHE 150 Cb 0.08 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 1sqb h PHE 150 CO 0.01 0.97 0.21 -0.91 -1.61 0.00 0.00 178.31 176.98 1sqb h ASN 151 N 0.52 0.81 -0.72 2.17 2.35 -0.75 -1.13 115.58 118.83 1sqb h ASN 151 Ca 0.04 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1sqb h ASN 151 Cb 0.97 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1sqb h ASN 151 CO 0.09 0.78 0.41 1.88 -1.65 0.00 0.00 177.43 178.94 1sqb h TYR 152 N 0.80 0.97 -0.66 1.19 0.05 -0.59 -0.88 116.97 117.85 1sqb h TYR 152 Ca 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1sqb h TYR 152 Cb 0.24 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1sqb h TYR 152 CO 0.01 0.67 0.37 1.25 -1.05 0.00 0.00 178.16 179.41 1sqb h LEU 153 N 0.99 0.83 -0.57 3.88 5.85 -0.16 0.35 115.31 126.48 1sqb h LEU 153 Ca 0.26 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1sqb h LEU 153 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1sqb h LEU 153 CO -0.04 0.68 0.04 0.45 -0.34 0.00 0.00 178.44 179.23 1sqb h HIS 154 N 0.91 1.06 -0.87 1.25 3.86 -1.12 -1.34 115.15 118.89 1sqb h HIS 154 Ca 0.23 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1sqb h HIS 154 Cb 0.04 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.19 1sqb h HIS 154 CO -0.01 0.94 0.45 0.00 0.86 0.00 0.00 177.93 180.17 1sqb h ALA 155 N 0.98 1.15 0.12 2.45 0.00 -0.45 -0.84 119.26 122.67 1sqb h ALA 155 Ca 0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1sqb h ALA 155 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sqb h ALA 155 CO 0.02 0.66 -1.65 0.00 0.00 0.00 0.00 179.25 178.28 1sqb h THR 156 N 1.23 1.01 -0.16 0.00 1.03 -0.95 -3.04 112.91 112.03 1sqb h THR 156 Ca 0.30 -2.68 -0.08 0.00 -0.01 0.00 0.00 66.41 63.95 1sqb h THR 156 Cb 0.07 2.69 -0.00 0.00 -1.07 0.00 0.00 68.15 69.84 1sqb h THR 156 CO -0.04 0.80 -0.20 0.00 -0.01 0.00 0.00 175.52 176.07 1sqb h ALA 157 N 0.42 0.24 -0.93 0.00 0.00 -1.23 -3.28 119.26 114.49 1sqb h ALA 157 Ca -0.29 -0.36 -0.47 0.00 0.00 0.00 0.00 54.91 53.80 1sqb h ALA 157 Cb 2.03 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 19.50 1sqb h ALA 157 CO 0.15 0.18 0.57 1.19 0.00 0.00 0.00 179.25 181.33 1sqb n PHE 158 N -4.47 2.88 -0.86 0.00 3.72 -0.33 0.08 117.46 118.48 1sqb n PHE 158 Ca -0.06 -1.77 -0.37 0.00 -0.05 0.00 0.00 57.45 55.20 1sqb n PHE 158 Cb 0.41 -0.89 -0.06 0.00 -0.94 0.00 0.00 39.48 37.99 1sqb n PHE 158 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sqb n GLN 159 N -1.05 0.00 -1.82 -1.08 6.02 -1.15 -1.02 117.38 117.28 1sqb n GLN 159 Ca 0.56 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.38 1sqb n GLN 159 Cb 1.61 -0.86 -0.05 0.00 1.02 0.00 0.00 30.24 31.95 1sqb n GLN 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqb n GLY 160 N 3.32 0.92 3.53 1.08 0.00 -1.26 -4.94 105.19 107.83 1sqb n GLY 160 Ca 0.25 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1sqb n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqb s THR 161 N -2.73 2.32 0.48 2.61 -4.23 -0.19 -5.04 115.64 108.86 1sqb s THR 161 Ca 0.00 -2.26 0.24 0.00 -1.18 0.00 0.00 61.69 58.49 1sqb s THR 161 Cb 0.00 -2.55 0.43 0.00 1.34 0.00 0.00 72.50 71.71 1sqb s THR 161 CO 0.00 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.06 1sqb h PRO 162 N 2.09 0.18 0.00 3.99 0.11 -1.86 -2.17 132.00 134.34 1sqb h PRO 162 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1sqb h PRO 162 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sqb h PRO 162 CO 0.67 0.12 -0.14 1.25 -0.21 0.00 0.00 178.00 179.70 1sqb h LEU 163 N 0.19 0.00 -2.11 2.35 5.85 -1.87 -2.74 115.31 116.98 1sqb h LEU 163 Ca 0.43 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 1sqb h LEU 163 Cb 1.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1sqb h LEU 163 CO -0.09 0.14 -0.08 0.00 -0.34 0.00 0.00 178.44 178.08 1sqb h ALA 164 N 1.86 1.44 -2.67 1.25 0.00 -1.43 -3.44 119.26 116.27 1sqb h ALA 164 Ca -0.00 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.34 1sqb h ALA 164 Cb 0.64 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.46 1sqb h ALA 164 CO 0.02 0.10 0.47 -0.65 0.00 0.00 0.00 179.25 179.19 1sqb s GLN 165 N -4.44 4.10 0.51 0.00 -0.21 -1.03 -3.61 119.66 114.98 1sqb s GLN 165 Ca -0.04 1.73 -0.09 0.00 0.02 0.00 0.00 55.36 56.98 1sqb s GLN 165 Cb 0.14 -2.65 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 1sqb s GLN 165 CO 0.58 -0.25 0.88 -1.54 -2.12 0.00 0.00 175.29 172.84 1sqb s SER 166 N -1.26 6.35 0.18 5.90 1.04 -1.26 -4.90 113.70 119.75 1sqb s SER 166 Ca 0.57 1.19 -0.12 0.00 0.48 0.00 0.00 55.95 58.07 1sqb s SER 166 Cb -0.28 -2.36 0.09 0.00 0.10 0.00 0.00 66.02 63.57 1sqb s SER 166 CO 0.35 -0.63 1.76 0.58 0.98 0.00 0.00 173.24 176.28 1sqb h VAL 167 N 0.33 1.22 -0.20 5.02 2.07 -1.93 -3.19 116.25 119.57 1sqb h VAL 167 Ca -0.46 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1sqb h VAL 167 Cb 1.19 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1sqb h VAL 167 CO 0.62 0.26 -0.13 -0.33 0.02 0.00 0.00 177.57 178.01 1sqb h GLU 168 N 0.85 0.32 0.00 1.57 3.07 -1.92 -3.39 114.58 115.08 1sqb h GLU 168 Ca 0.21 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1sqb h GLU 168 Cb 0.14 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1sqb h GLU 168 CO -0.02 0.46 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 1sqb n GLY 169 N -0.79 -1.13 3.90 -3.84 0.00 -1.21 -4.32 105.19 97.80 1sqb n GLY 169 Ca -0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 1sqb n GLY 169 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqb s PRO 170 N -1.98 2.92 0.29 1.61 0.04 -1.26 -4.91 135.00 131.71 1sqb s PRO 170 Ca 0.00 0.30 0.02 0.00 0.04 0.00 0.00 61.00 61.37 1sqb s PRO 170 Cb 0.00 -2.12 0.59 0.00 0.04 0.00 0.00 34.50 33.01 1sqb s PRO 170 CO 0.00 -0.89 1.83 0.77 0.04 0.00 0.00 177.00 178.76 1sqb h SER 171 N -0.46 0.90 -0.64 6.66 0.02 -2.01 -2.02 113.55 116.01 1sqb h SER 171 Ca -0.45 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1sqb h SER 171 Cb 1.25 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1sqb h SER 171 CO 0.63 0.46 0.40 -0.08 -1.14 0.00 0.00 176.83 177.10 1sqb h GLU 172 N 0.96 0.78 0.00 3.45 4.57 -2.00 -2.86 114.58 119.48 1sqb h GLU 172 Ca 0.51 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.53 1sqb h GLU 172 Cb 0.55 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1sqb h GLU 172 CO -0.28 0.51 -0.50 -0.91 -1.18 0.00 0.00 179.01 176.66 1sqb h ASN 173 N 0.80 0.00 -0.13 1.04 2.35 -1.75 -2.21 115.58 115.69 1sqb h ASN 173 Ca 0.25 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 1sqb h ASN 173 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1sqb h ASN 173 CO -0.09 0.50 -0.18 0.58 -1.65 0.00 0.00 177.43 176.59 1sqb h VAL 174 N 0.00 1.36 0.00 2.81 2.07 -1.33 -1.69 116.25 119.47 1sqb h VAL 174 Ca -0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1sqb h VAL 174 Cb 0.91 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1sqb h VAL 174 CO 0.06 0.41 0.00 -2.11 0.02 0.00 0.00 177.57 175.95 1sqb n ARG 175 N -4.53 0.26 -0.03 1.57 1.85 -1.10 -3.91 116.66 110.76 1sqb n ARG 175 Ca -0.07 0.26 0.03 0.00 -1.00 0.00 0.00 57.85 57.08 1sqb n ARG 175 Cb 0.39 -1.83 -0.14 0.00 -1.05 0.00 0.00 32.46 29.83 1sqb n ARG 175 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1sqb n LYS 176 N -2.28 0.78 -1.68 2.89 2.85 -0.84 -5.01 118.16 114.88 1sqb n LYS 176 Ca 0.05 -0.11 -0.46 0.00 -1.05 0.00 0.00 58.31 56.74 1sqb n LYS 176 Cb 0.39 -1.43 -0.04 0.00 -0.65 0.00 0.00 35.03 33.30 1sqb n LYS 176 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1sqb n LEU 177 N -2.29 3.49 -4.97 -5.58 4.32 -0.64 -4.99 117.00 106.34 1sqb n LEU 177 Ca -0.11 1.01 -0.21 0.00 -0.02 0.00 0.00 56.01 56.68 1sqb n LEU 177 Cb 0.66 -1.44 0.02 0.00 -1.62 0.00 0.00 43.42 41.04 1sqb n LEU 177 CO 0.37 -0.07 0.28 -0.94 -1.22 0.00 0.00 177.39 175.81 1sqb s SER 178 N 2.64 5.57 0.25 -1.43 1.04 -1.26 -5.00 113.70 115.51 1sqb s SER 178 Ca 0.85 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 57.24 1sqb s SER 178 Cb -0.63 -1.10 0.30 0.00 0.10 0.00 0.00 66.02 64.69 1sqb s SER 178 CO 0.43 -0.88 1.89 -0.09 0.98 0.00 0.00 173.24 175.57 1sqb h ARG 179 N 0.33 1.15 -0.33 4.02 1.12 -1.96 -2.54 114.38 116.16 1sqb h ARG 179 Ca -0.44 -0.07 -0.07 0.00 -1.11 0.00 0.00 59.98 58.29 1sqb h ARG 179 Cb 1.28 -0.26 -0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1sqb h ARG 179 CO 0.53 0.76 -0.11 0.00 -3.11 0.00 0.00 179.97 178.04 1sqb h ALA 180 N 1.38 1.20 -0.81 2.80 0.00 -1.99 -2.61 119.26 119.23 1sqb h ALA 180 Ca 0.37 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1sqb h ALA 180 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1sqb h ALA 180 CO -0.12 0.52 0.54 -0.44 0.00 0.00 0.00 179.25 179.74 1sqb h ASP 181 N 0.52 0.89 0.33 0.00 3.32 -1.85 -1.62 116.42 118.02 1sqb h ASP 181 Ca 0.10 -0.02 -0.33 0.00 0.02 0.00 0.00 57.03 56.80 1sqb h ASP 181 Cb 0.50 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.85 1sqb h ASP 181 CO 0.03 0.63 -1.55 -0.07 -1.72 0.00 0.00 179.24 176.56 1sqb h LEU 182 N 1.05 0.62 -0.80 1.55 3.38 -1.37 -2.93 115.31 116.81 1sqb h LEU 182 Ca 0.31 -0.78 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1sqb h LEU 182 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1sqb h LEU 182 CO -0.08 1.63 0.04 0.74 0.09 0.00 0.00 178.44 180.86 1sqb h THR 183 N 0.11 1.25 -0.57 0.22 2.02 -1.43 -0.56 112.91 113.95 1sqb h THR 183 Ca -0.27 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1sqb h THR 183 Cb 2.09 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1sqb h THR 183 CO 0.21 0.38 0.29 -0.08 0.37 0.00 0.00 175.52 176.69 1sqb h GLU 184 N 0.87 0.82 -0.35 6.66 4.22 -1.38 0.91 114.58 126.34 1sqb h GLU 184 Ca 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1sqb h GLU 184 Cb 0.46 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1sqb h GLU 184 CO 0.02 0.65 0.10 -0.92 -2.18 0.00 0.00 179.01 176.68 1sqb h TYR 185 N 0.78 0.58 -0.49 0.92 5.03 -1.39 -2.32 116.97 120.08 1sqb h TYR 185 Ca 0.20 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 1sqb h TYR 185 Cb 0.10 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 1sqb h TYR 185 CO -0.01 0.58 0.25 -0.07 -1.32 0.00 0.00 178.16 177.59 1sqb h LEU 186 N 0.42 0.63 -0.77 2.82 3.38 -0.82 -0.88 115.31 120.08 1sqb h LEU 186 Ca 0.11 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1sqb h LEU 186 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1sqb h LEU 186 CO -0.00 0.57 -0.12 0.77 0.09 0.00 0.00 178.44 179.75 1sqb h SER 187 N 0.65 0.79 0.17 -0.43 4.64 -0.85 -0.91 113.55 117.61 1sqb h SER 187 Ca 0.17 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1sqb h SER 187 Cb 0.09 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1sqb h SER 187 CO -0.02 0.93 -0.53 0.03 -0.87 0.00 0.00 176.83 176.37 1sqb h ARG 188 N 0.72 0.40 0.00 4.77 3.08 -1.23 -3.40 114.38 118.72 1sqb h ARG 188 Ca 0.12 -0.24 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 1sqb h ARG 188 Cb 0.61 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1sqb h ARG 188 CO 0.04 0.83 -1.68 0.72 -1.07 0.00 0.00 179.97 178.81 1sqb n HIS 189 N -3.95 0.00 -1.73 3.04 8.25 -0.35 -4.73 115.22 115.75 1sqb n HIS 189 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 1sqb n HIS 189 Cb 0.58 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1sqb n HIS 189 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sqb n TYR 190 N -2.55 2.40 -4.73 4.41 4.02 -0.35 -4.86 117.16 115.49 1sqb n TYR 190 Ca -0.18 -2.80 -0.33 0.00 -0.01 0.00 0.00 57.90 54.57 1sqb n TYR 190 Cb 0.79 -1.99 -0.12 0.00 -0.02 0.00 0.00 39.34 37.99 1sqb n TYR 190 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1sqb s LYS 191 N -0.15 2.73 0.26 -0.72 1.02 -1.26 -4.95 119.74 116.66 1sqb s LYS 191 Ca 0.59 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 1sqb s LYS 191 Cb 0.20 -2.52 0.42 0.00 -0.52 0.00 0.00 37.83 35.41 1sqb s LYS 191 CO -0.09 0.60 1.59 0.00 -0.92 0.00 0.00 175.35 176.53 1sqb h ALA 192 N 5.44 0.66 0.00 5.17 0.00 -1.87 -0.64 119.26 128.03 1sqb h ALA 192 Ca -0.46 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sqb h ALA 192 Cb 1.17 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1sqb h ALA 192 CO 0.52 -0.42 0.00 -0.35 0.00 0.00 0.00 179.25 179.00 1sqb n PRO 193 N -5.51 0.22 -0.14 0.00 -0.04 -1.22 -1.31 135.00 127.00 1sqb n PRO 193 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1sqb n PRO 193 Cb 0.47 -1.32 0.10 0.00 -0.04 0.00 0.00 33.50 32.72 1sqb n PRO 193 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sqb n ARG 194 N -0.82 1.14 -4.48 0.54 1.74 -0.25 -5.00 116.66 109.53 1sqb n ARG 194 Ca 0.03 -2.20 -0.21 0.00 -0.77 0.00 0.00 57.85 54.71 1sqb n ARG 194 Cb 0.02 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.03 1sqb n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sqb s MET 195 N -2.20 1.01 -0.14 5.56 -1.94 -0.43 -0.75 119.30 120.41 1sqb s MET 195 Ca 0.24 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.84 1sqb s MET 195 Cb 0.21 -0.95 0.02 0.00 2.01 0.00 0.00 34.83 36.12 1sqb s MET 195 CO 0.02 0.19 -0.15 0.08 -0.01 0.00 0.00 175.02 175.16 1sqb s VAL 196 N -0.04 1.57 -0.65 -6.03 1.01 -0.23 -2.54 120.40 113.50 1sqb s VAL 196 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1sqb s VAL 196 Cb -0.07 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 34.94 1sqb s VAL 196 CO 0.00 0.46 0.86 -0.22 0.00 0.00 0.00 175.10 176.20 1sqb s LEU 197 N 1.39 4.90 -0.03 3.92 2.96 0.24 -0.58 118.68 131.47 1sqb s LEU 197 Ca 0.03 -1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 52.65 1sqb s LEU 197 Cb -0.13 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1sqb s LEU 197 CO -0.09 -1.27 0.13 0.00 -1.32 0.00 0.00 176.35 173.80 1sqb s ALA 198 N 3.34 3.76 -0.04 5.97 0.00 0.22 -1.81 121.76 133.20 1sqb s ALA 198 Ca 0.18 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1sqb s ALA 198 Cb -0.19 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1sqb s ALA 198 CO 0.07 0.69 0.25 0.00 0.00 0.00 0.00 175.76 176.77 1sqb s ALA 199 N -1.19 -0.61 -0.05 0.00 0.00 -0.72 -0.76 121.76 118.42 1sqb s ALA 199 Ca 0.22 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1sqb s ALA 199 Cb -0.12 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1sqb s ALA 199 CO 0.13 -0.20 0.12 0.00 0.00 0.00 0.00 175.76 175.81 1sqb s ALA 200 N -0.89 -0.23 0.00 0.00 0.00 -0.53 -1.76 121.76 118.35 1sqb s ALA 200 Ca -0.10 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1sqb s ALA 200 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1sqb s ALA 200 CO 0.02 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1sqb n GLY 201 N 3.85 0.88 2.73 0.00 0.00 -1.09 -0.98 105.19 110.58 1sqb n GLY 201 Ca -0.22 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1sqb n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqb n GLY 202 N 0.00 3.99 2.91 -0.02 0.00 -1.11 -0.28 105.19 110.68 1sqb n GLY 202 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1sqb n GLY 202 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sqb s LEU 203 N 1.60 2.03 0.40 0.99 0.05 -1.26 -4.83 118.68 117.66 1sqb s LEU 203 Ca 0.52 -0.08 -0.20 0.00 0.05 0.00 0.00 54.13 54.43 1sqb s LEU 203 Cb 0.14 -0.08 -0.11 0.00 -2.05 0.00 0.00 46.19 44.10 1sqb s LEU 203 CO -0.04 -0.01 0.90 -1.83 -0.55 0.00 0.00 176.35 174.82 1sqb s GLU 204 N -0.18 4.18 0.19 1.48 -1.05 -1.26 -4.45 118.70 117.62 1sqb s GLU 204 Ca -0.01 1.02 -0.08 0.00 -0.15 0.00 0.00 54.97 55.75 1sqb s GLU 204 Cb -0.02 -2.24 0.11 0.00 -0.44 0.00 0.00 34.13 31.54 1sqb s GLU 204 CO -0.00 0.02 1.67 1.25 0.95 0.00 0.00 175.26 179.14 1sqb h HIS 205 N 2.00 1.15 -0.78 4.83 -0.00 -1.98 -3.06 115.15 117.31 1sqb h HIS 205 Ca -0.49 -0.18 0.07 0.00 -0.00 0.00 0.00 60.37 59.77 1sqb h HIS 205 Cb 1.18 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 28.23 1sqb h HIS 205 CO 0.62 1.00 0.51 0.00 -0.00 0.00 0.00 177.93 180.06 1sqb h ARG 206 N 0.99 0.80 -0.67 5.26 2.47 -2.00 -1.30 114.38 119.92 1sqb h ARG 206 Ca 0.18 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1sqb h ARG 206 Cb 0.51 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1sqb h ARG 206 CO 0.02 0.53 0.45 0.37 0.56 0.00 0.00 179.97 181.90 1sqb h GLN 207 N 0.82 0.89 -0.15 0.04 4.15 -1.95 -2.30 115.11 116.61 1sqb h GLN 207 Ca 0.34 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1sqb h GLN 207 Cb 0.26 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1sqb h GLN 207 CO -0.12 0.59 -0.41 1.25 -1.93 0.00 0.00 178.83 178.22 1sqb h LEU 208 N 0.91 0.62 -1.04 -2.39 5.85 -1.25 -2.79 115.31 115.22 1sqb h LEU 208 Ca 0.25 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1sqb h LEU 208 Cb -0.10 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1sqb h LEU 208 CO -0.05 1.09 0.06 0.25 -0.34 0.00 0.00 178.44 179.45 1sqb h LEU 209 N 0.17 0.70 -0.39 2.25 5.85 -1.30 -1.80 115.31 120.79 1sqb h LEU 209 Ca -0.01 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1sqb h LEU 209 Cb 1.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1sqb h LEU 209 CO 0.09 0.73 0.25 0.44 -0.34 0.00 0.00 178.44 179.61 1sqb h ASP 210 N 0.71 0.43 0.13 1.25 3.32 -1.38 -2.26 116.42 118.63 1sqb h ASP 210 Ca 0.15 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1sqb h ASP 210 Cb 0.35 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1sqb h ASP 210 CO 0.01 0.31 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.41 1sqb h LEU 211 N 0.52 0.32 -0.51 1.55 3.38 -1.20 0.60 115.31 119.97 1sqb h LEU 211 Ca 0.15 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1sqb h LEU 211 Cb -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1sqb h LEU 211 CO -0.04 0.66 -0.48 0.00 0.09 0.00 0.00 178.44 178.67 1sqb h ALA 212 N 1.36 0.69 -0.00 1.53 0.00 -1.16 0.26 119.26 121.95 1sqb h ALA 212 Ca 0.03 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1sqb h ALA 212 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1sqb h ALA 212 CO 0.06 0.67 -0.61 1.96 0.00 0.00 0.00 179.25 181.33 1sqb h GLN 213 N 0.53 0.01 -0.05 0.00 1.08 -1.09 -0.46 115.11 115.14 1sqb h GLN 213 Ca 0.03 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 1sqb h GLN 213 Cb 1.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1sqb h GLN 213 CO 0.10 0.62 -0.60 -0.22 -0.95 0.00 0.00 178.83 177.77 1sqb h LYS 214 N 0.01 0.17 0.00 1.46 3.64 -0.39 -3.34 116.57 118.11 1sqb h LYS 214 Ca -0.01 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1sqb h LYS 214 Cb 1.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1sqb h LYS 214 CO 0.08 0.72 -0.71 0.72 -2.27 0.00 0.00 179.45 177.99 1sqb n HIS 215 N -3.86 0.00 -0.01 1.91 8.25 0.04 -4.82 115.22 116.73 1sqb n HIS 215 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1sqb n HIS 215 Cb 0.61 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.57 1sqb n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sqb n PHE 216 N -1.17 0.00 -1.81 4.41 3.01 -0.19 -4.87 117.46 116.84 1sqb n PHE 216 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1sqb n PHE 216 Cb 0.07 -0.44 -0.02 0.00 -0.01 0.00 0.00 39.48 39.08 1sqb n PHE 216 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1sqb s SER 217 N -4.22 6.41 0.00 4.37 0.01 -1.14 -3.93 113.70 115.21 1sqb s SER 217 Ca -0.07 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.09 1sqb s SER 217 Cb 0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1sqb s SER 217 CO 0.80 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1sqb n GLY 218 N 2.41 1.14 0.17 3.44 0.00 -1.26 -5.01 105.19 106.08 1sqb n GLY 218 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1sqb n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sqb n LEU 219 N 0.00 0.60 0.00 0.99 4.77 -1.25 -5.06 117.00 117.04 1sqb n LEU 219 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1sqb n LEU 219 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1sqb n LEU 219 CO 0.00 0.24 0.00 -1.54 -1.33 0.00 0.00 177.39 174.76 1sqb n SER 220 N -0.25 0.00 0.00 -1.43 3.41 -1.26 -4.79 113.62 109.30 1sqb n SER 220 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1sqb n SER 220 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sqb n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqb n GLY 221 N 5.00 1.43 3.36 5.00 0.00 -1.26 -4.33 105.19 114.39 1sqb n GLY 221 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1sqb n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sqb s THR 222 N 0.00 -0.04 0.07 2.61 -1.32 -1.26 -5.20 115.64 110.49 1sqb s THR 222 Ca 0.00 0.07 -0.01 0.00 -1.21 0.00 0.00 61.69 60.54 1sqb s THR 222 Cb 0.00 -0.71 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1sqb s THR 222 CO 0.00 0.03 -0.01 -0.47 -2.21 0.00 0.00 174.62 171.96 1sqb s TYR 223 N 1.50 0.58 0.00 9.09 5.04 -1.26 -5.09 117.35 127.22 1sqb s TYR 223 Ca -0.09 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.43 1sqb s TYR 223 Cb -0.08 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.83 1sqb s TYR 223 CO -0.15 -0.41 0.00 -0.25 -1.34 0.00 0.00 175.55 173.41 1sqb n ASP 224 N 0.07 0.00 0.00 4.32 9.92 -1.26 -4.91 116.55 124.69 1sqb n ASP 224 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1sqb n ASP 224 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1sqb n ASP 224 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sqb n GLU 225 N 0.00 0.00 -0.08 -1.24 1.02 -1.26 -3.67 120.64 115.41 1sqb n GLU 225 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1sqb n GLU 225 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1sqb n GLU 225 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1sqb h ASP 226 N 0.00 0.86 -3.59 1.62 1.82 -2.04 -3.40 116.42 111.69 1sqb h ASP 226 Ca 0.00 -0.39 -0.61 0.00 -0.39 0.00 0.00 57.03 55.64 1sqb h ASP 226 Cb 0.00 -0.24 -0.40 0.00 0.68 0.00 0.00 39.33 39.37 1sqb h ASP 226 CO 0.00 1.14 -0.72 0.00 -1.61 0.00 0.00 179.24 178.05 1sqb s ALA 227 N -4.35 2.28 -0.50 -0.78 0.00 -1.24 -5.08 121.76 112.08 1sqb s ALA 227 Ca -0.10 -2.53 -0.19 0.00 0.00 0.00 0.00 51.96 49.15 1sqb s ALA 227 Cb 0.12 -1.89 0.06 0.00 0.00 0.00 0.00 23.12 21.40 1sqb s ALA 227 CO 0.86 -1.96 0.60 0.08 0.00 0.00 0.00 175.76 175.34 1sqb s VAL 228 N 0.53 4.91 -0.65 0.00 1.01 -1.26 -4.92 120.40 120.02 1sqb s VAL 228 Ca 0.16 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1sqb s VAL 228 Cb -0.23 -4.28 0.17 0.00 0.00 0.00 0.00 36.38 32.04 1sqb s VAL 228 CO -0.05 -0.77 0.55 -2.16 0.00 0.00 0.00 175.10 172.67 1sqb s PRO 229 N 2.54 3.01 -0.09 2.72 0.04 -1.26 -5.06 135.00 136.89 1sqb s PRO 229 Ca 0.14 -2.17 -0.07 0.00 0.04 0.00 0.00 61.00 58.94 1sqb s PRO 229 Cb -0.19 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1sqb s PRO 229 CO 0.12 -1.25 0.17 0.99 0.04 0.00 0.00 177.00 177.06 1sqb s THR 230 N 0.66 5.46 0.07 1.26 2.01 -1.26 -5.08 115.64 118.77 1sqb s THR 230 Ca 0.12 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 1sqb s THR 230 Cb -0.20 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 1sqb s THR 230 CO -0.04 0.55 1.35 -0.76 -0.69 0.00 0.00 174.62 175.04 1sqb s LEU 231 N -1.23 4.36 0.26 4.42 1.43 -1.26 -5.03 118.68 121.62 1sqb s LEU 231 Ca 0.18 2.21 -0.23 0.00 -1.03 0.00 0.00 54.13 55.25 1sqb s LEU 231 Cb -0.12 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 1sqb s LEU 231 CO 0.08 -0.63 0.83 -0.94 0.23 0.00 0.00 176.35 175.92 1sqb s SER 232 N 1.29 7.24 0.70 2.29 1.04 -1.26 -5.06 113.70 119.94 1sqb s SER 232 Ca 0.63 1.65 -0.17 0.00 0.48 0.00 0.00 55.95 58.54 1sqb s SER 232 Cb -0.34 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.29 1sqb s SER 232 CO 0.29 0.01 1.25 -2.65 0.98 0.00 0.00 173.24 173.13 1sqb n PRO 233 N 0.78 0.82 -3.83 4.02 -0.02 -1.26 -5.01 135.00 130.51 1sqb n PRO 233 Ca -0.01 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.45 1sqb n PRO 233 Cb 0.50 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.36 1sqb n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqb s ARG 235 N 1.44 4.16 0.04 0.00 3.52 -1.26 -4.99 118.95 121.85 1sqb s ARG 235 Ca 0.02 2.50 -0.22 0.00 -0.13 0.00 0.00 55.73 57.89 1sqb s ARG 235 Cb -0.17 -3.94 -0.06 0.00 -1.56 0.00 0.00 34.95 29.22 1sqb s ARG 235 CO 0.00 -0.88 0.66 0.12 -0.81 0.00 0.00 175.30 174.39 1sqb s PHE 236 N 3.78 3.74 -0.10 5.12 2.19 -1.26 -4.42 117.98 127.03 1sqb s PHE 236 Ca 0.82 1.34 0.04 0.00 0.33 0.00 0.00 56.93 59.46 1sqb s PHE 236 Cb -0.41 -2.67 0.00 0.00 -1.31 0.00 0.00 43.02 38.63 1sqb s PHE 236 CO 0.37 0.38 -0.23 0.99 1.83 0.00 0.00 175.22 178.55 1sqb s THR 237 N -0.37 2.02 -0.26 0.12 2.01 0.11 -5.02 115.64 114.25 1sqb s THR 237 Ca 0.33 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 1sqb s THR 237 Cb -0.20 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 1sqb s THR 237 CO 0.20 0.55 1.66 -0.83 -0.69 0.00 0.00 174.62 175.51 1sqb s GLY 238 N 0.38 1.10 0.30 4.40 0.00 -1.26 -4.40 107.32 107.84 1sqb s GLY 238 Ca -0.18 0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1sqb s GLY 238 CO 0.08 3.07 0.73 -1.35 0.00 0.00 0.00 173.10 175.63 1sqb s SER 239 N 4.72 -0.21 -0.02 1.64 1.04 -0.98 -4.97 113.70 114.92 1sqb s SER 239 Ca 0.73 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1sqb s SER 239 Cb -0.24 0.75 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1sqb s SER 239 CO 0.31 -1.41 -0.05 -1.58 0.98 0.00 0.00 173.24 171.49 1sqb s GLN 240 N -3.63 0.64 -0.15 4.02 0.74 -1.26 -0.47 119.66 119.54 1sqb s GLN 240 Ca 0.12 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.38 1sqb s GLN 240 Cb -0.06 -0.64 0.02 0.00 1.10 0.00 0.00 33.01 33.43 1sqb s GLN 240 CO 0.08 0.03 -0.18 -1.50 -0.55 0.00 0.00 175.29 173.17 1sqb s ILE 241 N 0.36 1.82 -0.32 -2.34 2.07 0.40 -4.97 121.20 118.21 1sqb s ILE 241 Ca -0.04 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 1sqb s ILE 241 Cb -0.08 -1.66 0.10 0.00 0.13 0.00 0.00 42.46 40.94 1sqb s ILE 241 CO -0.00 0.50 0.05 0.00 -1.91 0.00 0.00 174.94 173.59 1sqb s HIS 243 N 1.18 3.63 0.03 0.00 2.46 0.03 -5.01 115.29 117.61 1sqb s HIS 243 Ca 0.09 -1.92 -0.30 0.00 0.47 0.00 0.00 55.06 53.40 1sqb s HIS 243 Cb -0.18 -3.98 -0.08 0.00 -0.13 0.00 0.00 32.58 28.21 1sqb s HIS 243 CO -0.14 -1.15 1.72 0.50 -2.47 0.00 0.00 174.74 173.21 1sqb s ARG 244 N 0.78 4.18 -0.34 2.88 6.06 -1.26 -1.95 118.95 129.30 1sqb s ARG 244 Ca 0.25 2.36 0.02 0.00 -2.50 0.00 0.00 55.73 55.86 1sqb s ARG 244 Cb -0.08 -3.82 0.15 0.00 0.06 0.00 0.00 34.95 31.26 1sqb s ARG 244 CO -0.08 -0.82 0.37 -2.00 -2.50 0.00 0.00 175.30 170.27 1sqb s GLU 245 N 3.42 0.54 0.00 5.12 -6.30 0.68 -4.85 118.70 117.31 1sqb s GLU 245 Ca 0.77 -0.54 0.21 0.00 -2.50 0.00 0.00 54.97 52.91 1sqb s GLU 245 Cb -0.39 -0.63 1.10 0.00 0.00 0.00 0.00 34.13 34.21 1sqb s GLU 245 CO 0.33 -1.13 1.68 -0.25 0.02 0.00 0.00 175.26 175.91 1sqb n ASP 246 N 4.66 0.00 -0.03 -1.70 8.00 -1.26 -2.51 116.55 123.71 1sqb n ASP 246 Ca 0.06 -0.09 0.14 0.00 0.71 0.00 0.00 54.79 55.61 1sqb n ASP 246 Cb 0.46 -0.25 0.52 0.00 -0.02 0.00 0.00 41.12 41.83 1sqb n ASP 246 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqb n GLY 247 N 0.51 -1.29 3.76 0.44 0.00 -1.26 -4.81 105.19 102.54 1sqb n GLY 247 Ca 0.11 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1sqb n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqb s LEU 248 N -2.86 4.33 0.25 0.99 1.43 -1.04 -5.02 118.68 116.75 1sqb s LEU 248 Ca 0.17 0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 53.99 1sqb s LEU 248 Cb 0.19 -2.58 0.28 0.00 0.03 0.00 0.00 46.19 44.11 1sqb s LEU 248 CO 0.56 0.12 1.92 1.55 0.23 0.00 0.00 176.35 180.73 1sqb h PRO 249 N 6.12 1.26 -5.32 1.29 0.13 -1.89 -3.38 132.00 130.20 1sqb h PRO 249 Ca -0.44 -0.08 -0.46 0.00 -0.87 0.00 0.00 66.00 64.15 1sqb h PRO 249 Cb 1.19 -0.28 -0.26 0.00 0.13 0.00 0.00 31.00 31.77 1sqb h PRO 249 CO 0.71 0.83 -0.80 -0.51 -0.23 0.00 0.00 178.00 178.01 1sqb s LEU 250 N -10.13 2.12 0.26 1.56 1.43 -1.26 -4.67 118.68 107.99 1sqb s LEU 250 Ca -0.13 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 1sqb s LEU 250 Cb 0.18 -0.65 -0.09 0.00 0.03 0.00 0.00 46.19 45.67 1sqb s LEU 250 CO 0.81 0.08 0.82 0.00 0.23 0.00 0.00 176.35 178.29 1sqb s ALA 251 N -0.68 3.34 -0.13 4.21 0.00 -0.13 -4.53 121.76 123.84 1sqb s ALA 251 Ca 0.03 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1sqb s ALA 251 Cb -0.07 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1sqb s ALA 251 CO 0.01 0.26 -0.20 -1.01 0.00 0.00 0.00 175.76 174.82 1sqb s HIS 252 N -1.52 2.67 -0.07 0.00 3.76 0.64 -1.90 115.29 118.86 1sqb s HIS 252 Ca 0.45 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.31 1sqb s HIS 252 Cb -0.18 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.74 1sqb s HIS 252 CO 0.23 -0.45 -0.10 0.08 -0.85 0.00 0.00 174.74 173.65 1sqb s VAL 253 N 0.56 0.96 -0.19 -0.90 1.01 -0.49 -0.76 120.40 120.59 1sqb s VAL 253 Ca -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1sqb s VAL 253 Cb -0.17 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1sqb s VAL 253 CO 0.04 0.32 -0.11 0.00 0.00 0.00 0.00 175.10 175.35 1sqb s ALA 254 N 0.87 1.95 -0.14 5.51 0.00 0.36 -0.83 121.76 129.49 1sqb s ALA 254 Ca -0.11 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1sqb s ALA 254 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1sqb s ALA 254 CO 0.01 -0.73 -0.18 -1.50 0.00 0.00 0.00 175.76 173.36 1sqb s ILE 255 N 1.42 2.43 -0.08 0.00 2.07 0.12 -0.10 121.20 127.06 1sqb s ILE 255 Ca 0.00 -0.86 -0.09 0.00 -1.41 0.00 0.00 60.65 58.28 1sqb s ILE 255 Cb -0.15 -2.00 0.02 0.00 0.13 0.00 0.00 42.46 40.46 1sqb s ILE 255 CO -0.09 0.53 0.26 0.00 -1.91 0.00 0.00 174.94 173.73 1sqb s ALA 256 N 0.67 -0.63 0.49 1.50 0.00 0.02 -1.26 121.76 122.54 1sqb s ALA 256 Ca -0.09 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1sqb s ALA 256 Cb -0.16 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1sqb s ALA 256 CO 0.02 -0.14 0.68 0.14 0.00 0.00 0.00 175.76 176.45 1sqb s VAL 257 N -0.14 2.97 -0.06 0.00 -7.23 0.66 0.87 120.40 117.47 1sqb s VAL 257 Ca -0.03 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1sqb s VAL 257 Cb -0.03 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1sqb s VAL 257 CO 0.01 -0.04 1.35 -0.70 -0.31 0.00 0.00 175.10 175.42 1sqb s GLU 258 N -4.57 4.27 0.52 4.82 2.12 -1.26 -1.29 118.70 123.30 1sqb s GLU 258 Ca 0.55 1.85 -0.01 0.00 0.36 0.00 0.00 54.97 57.73 1sqb s GLU 258 Cb -0.10 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.63 1sqb s GLU 258 CO 0.36 -0.62 0.76 0.20 -0.54 0.00 0.00 175.26 175.42 1sqb s GLY 259 N 2.01 1.66 0.12 -1.50 0.00 0.14 -4.83 107.32 104.91 1sqb s GLY 259 Ca 0.61 -1.08 0.08 0.00 0.00 0.00 0.00 44.72 44.34 1sqb s GLY 259 CO 0.23 -0.84 1.24 -0.56 0.00 0.00 0.00 173.10 173.17 1sqb h PRO 260 N 0.15 0.00 0.00 2.90 0.13 -1.86 -2.40 132.00 130.92 1sqb h PRO 260 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sqb h PRO 260 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1sqb h PRO 260 CO 0.56 0.92 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 1sqb n GLY 261 N 1.36 2.69 0.18 1.56 0.00 -1.22 -3.32 105.19 106.44 1sqb n GLY 261 Ca -0.01 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 1sqb n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sqb n TRP 262 N 0.68 -0.14 0.07 1.61 7.02 -0.88 -1.97 117.44 123.83 1sqb n TRP 262 Ca 0.00 0.55 -0.03 0.00 -1.02 0.00 0.00 57.50 56.99 1sqb n TRP 262 Cb 0.00 -0.57 0.20 0.00 -2.42 0.00 0.00 31.31 28.52 1sqb n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sqb h ALA 263 N 0.32 1.05 -2.06 6.99 0.00 -1.88 -3.46 119.26 120.22 1sqb h ALA 263 Ca 0.09 -0.42 -0.62 0.00 0.00 0.00 0.00 54.91 53.97 1sqb h ALA 263 Cb 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 17.93 1sqb h ALA 263 CO -0.42 0.60 0.90 1.58 0.00 0.00 0.00 179.25 181.92 1sqb n HIS 264 N -4.03 2.21 0.24 0.00 -0.00 -0.83 -4.90 115.22 107.92 1sqb n HIS 264 Ca -0.01 0.20 0.12 0.00 0.46 0.00 0.00 57.72 58.49 1sqb n HIS 264 Cb 0.49 -2.57 0.76 0.00 -0.12 0.00 0.00 29.99 28.54 1sqb n HIS 264 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1sqb h PRO 265 N 7.27 0.00 -0.70 1.57 0.11 -1.91 -2.92 132.00 135.43 1sqb h PRO 265 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sqb h PRO 265 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1sqb h PRO 265 CO 0.91 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 1sqb n ASP 266 N -4.22 2.21 0.12 -2.05 5.68 -1.26 -3.43 116.55 113.60 1sqb n ASP 266 Ca -0.01 -2.22 -0.01 0.00 -0.50 0.00 0.00 54.79 52.04 1sqb n ASP 266 Cb 0.16 -0.45 0.23 0.00 -1.14 0.00 0.00 41.12 39.91 1sqb n ASP 266 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1sqb h ASN 267 N 1.34 0.15 -0.02 -1.12 2.35 -1.88 -2.84 115.58 113.56 1sqb h ASN 267 Ca 0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1sqb h ASN 267 Cb 0.81 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1sqb h ASN 267 CO 0.12 0.60 0.01 0.58 -1.65 0.00 0.00 177.43 177.09 1sqb h VAL 268 N 0.11 1.10 -0.35 2.81 2.07 -1.83 -2.14 116.25 118.04 1sqb h VAL 268 Ca 0.01 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1sqb h VAL 268 Cb 0.88 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1sqb h VAL 268 CO 0.07 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1sqb h ALA 269 N 0.88 1.21 -0.49 1.67 0.00 -1.80 -2.00 119.26 118.75 1sqb h ALA 269 Ca 0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1sqb h ALA 269 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1sqb h ALA 269 CO -0.00 0.51 -0.14 -0.07 0.00 0.00 0.00 179.25 179.55 1sqb h LEU 270 N 0.54 0.93 -0.97 0.00 3.38 -1.50 -2.80 115.31 114.89 1sqb h LEU 270 Ca 0.10 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1sqb h LEU 270 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1sqb h LEU 270 CO 0.03 1.07 -0.25 1.56 0.09 0.00 0.00 178.44 180.94 1sqb h GLN 271 N 0.82 0.46 -0.53 1.13 1.08 -0.90 -0.84 115.11 116.33 1sqb h GLN 271 Ca 0.12 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1sqb h GLN 271 Cb 0.68 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1sqb h GLN 271 CO 0.05 0.67 0.13 0.28 -0.95 0.00 0.00 178.83 179.01 1sqb h VAL 272 N 0.41 1.24 -0.26 -0.54 2.07 -1.26 -0.68 116.25 117.22 1sqb h VAL 272 Ca 0.06 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 1sqb h VAL 272 Cb 0.65 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1sqb h VAL 272 CO 0.05 0.31 -0.41 0.00 0.02 0.00 0.00 177.57 177.54 1sqb h ALA 273 N 1.01 0.81 0.00 1.67 0.00 -1.26 -1.41 119.26 120.08 1sqb h ALA 273 Ca 0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1sqb h ALA 273 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sqb h ALA 273 CO 0.00 0.65 -0.25 -0.91 0.00 0.00 0.00 179.25 178.74 1sqb h ASN 274 N 0.50 0.00 -0.03 0.00 4.21 -1.02 -1.90 115.58 117.34 1sqb h ASN 274 Ca 0.04 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.32 1sqb h ASN 274 Cb 0.92 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.14 1sqb h ASN 274 CO 0.08 0.25 -0.89 0.00 -1.29 0.00 0.00 177.43 175.58 1sqb h ALA 275 N 1.75 0.15 -0.53 -0.83 0.00 -0.71 0.19 119.26 119.29 1sqb h ALA 275 Ca -0.00 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.30 1sqb h ALA 275 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1sqb h ALA 275 CO 0.03 0.61 0.29 0.82 0.00 0.00 0.00 179.25 181.00 1sqb h ILE 276 N 0.32 0.99 -0.14 0.00 2.04 -0.83 -2.12 117.51 117.77 1sqb h ILE 276 Ca -0.10 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 1sqb h ILE 276 Cb 1.55 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1sqb h ILE 276 CO 0.18 0.10 -0.30 0.40 0.00 0.00 0.00 178.15 178.53 1sqb h ILE 277 N 0.56 1.36 0.00 -0.67 2.04 -1.46 -3.40 117.51 115.95 1sqb h ILE 277 Ca 0.22 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1sqb h ILE 277 Cb 0.10 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1sqb h ILE 277 CO -0.13 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.09 1sqb n GLY 278 N 0.44 1.37 3.19 5.37 0.00 0.67 -4.58 105.19 111.65 1sqb n GLY 278 Ca -0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 1sqb n GLY 278 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sqb s HIS 279 N 0.00 0.02 0.12 1.61 -3.43 -1.26 -2.43 115.29 109.91 1sqb s HIS 279 Ca 0.00 -0.21 0.01 0.00 -0.80 0.00 0.00 55.06 54.06 1sqb s HIS 279 Cb 0.00 -0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 1sqb s HIS 279 CO 0.00 -0.44 -0.04 -0.47 -2.00 0.00 0.00 174.74 171.79 1sqb s TYR 280 N -2.51 0.97 -0.27 0.38 5.04 0.43 -4.95 117.35 116.43 1sqb s TYR 280 Ca -0.05 -0.97 -0.24 0.00 -2.44 0.00 0.00 57.07 53.36 1sqb s TYR 280 Cb -0.01 -0.56 0.09 0.00 0.35 0.00 0.00 41.96 41.82 1sqb s TYR 280 CO -0.03 -0.20 0.81 0.34 -1.34 0.00 0.00 175.55 175.12 1sqb s ASP 281 N -3.08 -0.67 0.35 4.32 2.15 -1.26 -2.08 116.67 116.41 1sqb s ASP 281 Ca 0.16 1.29 0.24 0.00 0.43 0.00 0.00 52.55 54.67 1sqb s ASP 281 Cb 0.06 1.31 1.29 0.00 -0.30 0.00 0.00 42.92 45.27 1sqb s ASP 281 CO -0.02 -0.22 1.74 0.00 -0.17 0.00 0.00 175.17 176.50 1sqb n THR 283 N -2.35 0.00 -2.24 0.00 -2.24 -1.26 -4.94 114.28 101.25 1sqb n THR 283 Ca -0.01 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 1sqb n THR 283 Cb 0.05 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1sqb n THR 283 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1sqb s TYR 284 N -2.24 3.25 0.23 4.78 1.51 -0.12 -4.95 117.35 119.83 1sqb s TYR 284 Ca 0.31 1.42 0.09 0.00 -1.01 0.00 0.00 57.07 57.87 1sqb s TYR 284 Cb 0.20 -3.55 0.22 0.00 -0.11 0.00 0.00 41.96 38.71 1sqb s TYR 284 CO 0.42 -1.54 1.53 0.78 -1.11 0.00 0.00 175.55 175.63 1sqb h GLY 285 N 4.22 0.04 0.20 0.71 0.00 -1.92 -3.38 103.07 102.93 1sqb h GLY 285 Ca -0.47 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 46.92 1sqb h GLY 285 CO 0.70 0.05 0.13 -1.33 0.00 0.00 0.00 176.54 176.09 1sqb h GLY 286 N 2.03 0.77 0.00 4.60 0.00 -1.96 -3.47 103.07 105.03 1sqb h GLY 286 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sqb h GLY 286 CO 0.09 -0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1sqb n GLY 287 N -1.32 3.53 0.28 4.60 0.00 -1.26 -2.93 105.19 108.10 1sqb n GLY 287 Ca 0.09 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.14 1sqb n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb h ALA 288 N -0.99 1.16 -0.10 4.61 0.00 -1.91 -2.91 119.26 119.12 1sqb h ALA 288 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sqb h ALA 288 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sqb h ALA 288 CO 0.00 0.09 0.00 0.72 0.00 0.00 0.00 179.25 180.06 1sqb n HIS 289 N -3.40 0.12 -1.93 0.00 8.25 -1.15 -4.85 115.22 112.26 1sqb n HIS 289 Ca -0.01 -0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 56.98 1sqb n HIS 289 Cb 0.22 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 1sqb n HIS 289 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sqb s LEU 290 N -1.75 4.36 0.10 2.41 1.43 -1.10 -4.94 118.68 119.20 1sqb s LEU 290 Ca 0.35 2.88 -0.28 0.00 -1.03 0.00 0.00 54.13 56.05 1sqb s LEU 290 Cb 0.19 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.64 1sqb s LEU 290 CO 0.29 -0.75 1.64 0.28 0.23 0.00 0.00 176.35 178.04 1sqb h SER 291 N 3.53 -0.71 -2.23 2.29 0.02 -1.92 -3.41 113.55 111.11 1sqb h SER 291 Ca -0.49 0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 59.95 1sqb h SER 291 Cb 1.23 0.25 0.03 0.00 0.14 0.00 0.00 62.40 64.06 1sqb h SER 291 CO 0.68 -0.37 1.04 -0.24 -1.14 0.00 0.00 176.83 176.79 1sqb n SER 292 N -5.38 3.57 -0.21 3.07 2.88 -1.26 -4.92 113.62 111.37 1sqb n SER 292 Ca -0.08 1.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.42 1sqb n SER 292 Cb 0.29 -1.44 0.07 0.00 -0.75 0.00 0.00 64.21 62.38 1sqb n SER 292 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1sqb h PRO 293 N 8.35 0.66 -0.20 -1.46 0.11 -1.83 -1.21 132.00 136.43 1sqb h PRO 293 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1sqb h PRO 293 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1sqb h PRO 293 CO 0.93 0.44 0.10 1.25 -0.21 0.00 0.00 178.00 180.51 1sqb h LEU 294 N 0.68 0.26 -0.42 2.35 5.85 -1.88 -0.90 115.31 121.25 1sqb h LEU 294 Ca 0.26 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1sqb h LEU 294 Cb 0.10 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1sqb h LEU 294 CO -0.14 0.31 0.26 0.00 -0.34 0.00 0.00 178.44 178.52 1sqb h ALA 295 N 0.96 0.53 -0.23 1.25 0.00 -1.79 -0.14 119.26 119.85 1sqb h ALA 295 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sqb h ALA 295 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sqb h ALA 295 CO -0.01 -0.06 0.08 1.03 0.00 0.00 0.00 179.25 180.29 1sqb h SER 296 N 0.52 0.32 -0.34 0.00 0.87 -1.06 -1.04 113.55 112.82 1sqb h SER 296 Ca 0.16 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1sqb h SER 296 Cb -0.01 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1sqb h SER 296 CO -0.07 0.43 -0.08 0.40 -0.53 0.00 0.00 176.83 176.99 1sqb h ILE 297 N 0.20 1.25 -0.45 2.23 2.04 -0.99 -1.98 117.51 119.80 1sqb h ILE 297 Ca 0.07 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 1sqb h ILE 297 Cb 0.22 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1sqb h ILE 297 CO -0.00 0.38 -0.13 0.00 0.00 0.00 0.00 178.15 178.40 1sqb h ALA 298 N 1.22 0.92 -0.06 1.87 0.00 -0.78 -1.13 119.26 121.31 1sqb h ALA 298 Ca 0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1sqb h ALA 298 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sqb h ALA 298 CO 0.03 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.74 1sqb h ALA 299 N 1.10 0.10 -0.06 0.00 0.00 -1.12 0.22 119.26 119.50 1sqb h ALA 299 Ca 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sqb h ALA 299 Cb 0.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1sqb h ALA 299 CO 0.04 0.03 0.03 1.15 0.00 0.00 0.00 179.25 180.51 1sqb h THR 300 N -0.31 1.06 -0.48 0.00 2.02 -1.23 -2.65 112.91 111.31 1sqb h THR 300 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1sqb h THR 300 Cb 0.79 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1sqb h THR 300 CO 0.04 0.05 0.00 0.59 0.37 0.00 0.00 175.52 176.57 1sqb n ASN 301 N -5.02 2.93 -4.02 4.18 3.02 -0.44 -4.96 115.26 110.95 1sqb n ASN 301 Ca -0.06 -2.10 -0.45 0.00 -0.03 0.00 0.00 54.58 51.94 1sqb n ASN 301 Cb 0.06 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1sqb n ASN 301 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sqb n LYS 302 N 0.88 -0.39 0.00 3.52 4.01 -0.98 -4.88 118.16 120.32 1sqb n LYS 302 Ca 0.17 0.14 0.12 0.00 -0.51 0.00 0.00 58.31 58.23 1sqb n LYS 302 Cb 0.50 -2.74 0.23 0.00 -0.51 0.00 0.00 35.03 32.51 1sqb n LYS 302 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sqb n LEU 303 N -4.90 0.52 -3.82 -0.35 4.77 0.75 -4.99 117.00 108.98 1sqb n LEU 303 Ca -0.11 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 1sqb n LEU 303 Cb 0.57 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1sqb n LEU 303 CO 0.73 0.12 0.71 0.00 -1.33 0.00 0.00 177.39 177.63 1sqb n GLN 305 N -0.57 0.65 -3.60 0.00 -0.06 0.09 -4.82 117.38 109.07 1sqb n GLN 305 Ca -0.05 0.05 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1sqb n GLN 305 Cb 0.60 -1.67 -0.03 0.00 -4.06 0.00 0.00 30.24 25.08 1sqb n GLN 305 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1sqb s SER 306 N -5.34 -0.19 0.10 1.69 1.04 -1.18 -0.84 113.70 108.97 1sqb s SER 306 Ca -0.06 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1sqb s SER 306 Cb 0.10 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1sqb s SER 306 CO 0.84 -0.24 0.14 0.72 0.98 0.00 0.00 173.24 175.68 1sqb s PHE 307 N -1.71 0.36 -0.15 5.02 -0.12 -0.88 -2.08 117.98 118.42 1sqb s PHE 307 Ca 0.06 -0.80 -0.12 0.00 -0.05 0.00 0.00 56.93 56.02 1sqb s PHE 307 Cb -0.01 -0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.24 1sqb s PHE 307 CO -0.04 -0.53 0.39 1.14 -0.05 0.00 0.00 175.22 176.12 1sqb s GLN 308 N -3.91 0.42 0.51 1.99 -2.07 -0.41 -0.43 119.66 115.75 1sqb s GLN 308 Ca 0.10 0.62 -0.07 0.00 -1.82 0.00 0.00 55.36 54.19 1sqb s GLN 308 Cb 0.06 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1sqb s GLN 308 CO -0.07 -0.09 0.85 0.95 -1.32 0.00 0.00 175.29 175.60 1sqb s THR 309 N 0.65 4.85 0.04 3.63 -4.23 -1.02 -1.32 115.64 118.23 1sqb s THR 309 Ca -0.04 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 1sqb s THR 309 Cb -0.05 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.96 1sqb s THR 309 CO -0.04 -0.89 0.34 0.72 -0.54 0.00 0.00 174.62 174.20 1sqb s PHE 310 N -2.82 -0.16 -0.43 3.99 -0.12 0.12 -4.94 117.98 113.63 1sqb s PHE 310 Ca 0.50 0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.51 1sqb s PHE 310 Cb -0.10 0.13 0.20 0.00 -0.63 0.00 0.00 43.02 42.62 1sqb s PHE 310 CO 0.46 -0.51 0.43 -1.71 -0.05 0.00 0.00 175.22 173.84 1sqb n ASN 311 N 0.63 0.07 -4.68 1.98 5.15 -1.26 -2.55 115.26 114.60 1sqb n ASN 311 Ca -0.19 -2.57 -0.42 0.00 -0.60 0.00 0.00 54.58 50.80 1sqb n ASN 311 Cb 0.59 -0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1sqb n ASN 311 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1sqb s ILE 312 N -0.57 3.88 -0.15 -1.44 1.01 0.29 -4.96 121.20 119.26 1sqb s ILE 312 Ca 0.34 1.23 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 1sqb s ILE 312 Cb 0.09 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1sqb s ILE 312 CO -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.77 1sqb s TYR 314 N 0.06 1.82 -0.17 0.00 2.02 0.18 -4.84 117.35 116.41 1sqb s TYR 314 Ca 0.02 -1.13 -0.28 0.00 -0.37 0.00 0.00 57.07 55.31 1sqb s TYR 314 Cb -0.13 -1.17 -0.06 0.00 -0.40 0.00 0.00 41.96 40.21 1sqb s TYR 314 CO 0.02 -0.18 2.13 0.00 -1.57 0.00 0.00 175.55 175.96 1sqb s ALA 315 N -3.33 2.92 0.00 3.71 0.00 -1.26 -2.08 121.76 121.71 1sqb s ALA 315 Ca 0.31 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1sqb s ALA 315 Cb 0.06 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1sqb s ALA 315 CO 0.15 -2.53 0.00 -0.25 0.00 0.00 0.00 175.76 173.13 1sqb n ASP 316 N 10.72 -0.98 -3.27 0.00 8.00 -1.26 -4.87 116.55 124.89 1sqb n ASP 316 Ca 0.27 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.65 1sqb n ASP 316 Cb 0.44 -1.88 -0.03 0.00 -0.02 0.00 0.00 41.12 39.64 1sqb n ASP 316 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sqb s THR 317 N -1.82 0.00 0.00 -3.53 -1.32 -1.18 -4.49 115.64 103.29 1sqb s THR 317 Ca 0.00 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 1sqb s THR 317 Cb 0.00 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1sqb s THR 317 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1sqb n GLY 318 N -0.53 0.02 3.44 6.08 0.00 -0.90 -0.65 105.19 112.64 1sqb n GLY 318 Ca -0.01 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1sqb n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqb s LEU 319 N 0.00 3.15 -0.13 0.99 1.43 -0.70 0.26 118.68 123.68 1sqb s LEU 319 Ca 0.00 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1sqb s LEU 319 Cb 0.00 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1sqb s LEU 319 CO 0.00 0.11 -0.08 -0.22 0.23 0.00 0.00 176.35 176.39 1sqb s LEU 320 N 0.70 1.36 0.00 1.79 2.96 -0.41 -0.55 118.68 124.53 1sqb s LEU 320 Ca -0.02 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1sqb s LEU 320 Cb -0.14 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1sqb s LEU 320 CO 0.02 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1sqb n GLY 321 N 4.90 -0.67 3.21 7.98 0.00 -1.06 -0.25 105.19 119.31 1sqb n GLY 321 Ca -0.13 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1sqb n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb s ALA 322 N -1.00 1.30 0.00 4.61 0.00 -0.39 -0.71 121.76 125.58 1sqb s ALA 322 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.76 1sqb s ALA 322 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1sqb s ALA 322 CO 0.00 0.02 -0.17 -1.58 0.00 0.00 0.00 175.76 174.03 1sqb s HIS 323 N -2.34 1.50 0.03 0.00 5.04 -0.44 -0.71 115.29 118.38 1sqb s HIS 323 Ca 0.08 -0.30 -0.07 0.00 -1.54 0.00 0.00 55.06 53.22 1sqb s HIS 323 Cb -0.04 -0.95 -0.00 0.00 0.04 0.00 0.00 32.58 31.63 1sqb s HIS 323 CO 0.01 -0.00 0.13 -0.59 -2.34 0.00 0.00 174.74 171.95 1sqb s PHE 324 N -0.50 0.13 -0.12 3.88 -0.12 -0.01 -1.29 117.98 119.95 1sqb s PHE 324 Ca 0.06 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 1sqb s PHE 324 Cb -0.07 -0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.24 1sqb s PHE 324 CO -0.00 -0.37 -0.17 0.14 -0.05 0.00 0.00 175.22 174.77 1sqb s VAL 325 N -2.42 1.64 0.20 -2.49 -7.23 -0.88 -1.40 120.40 107.82 1sqb s VAL 325 Ca -0.06 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 1sqb s VAL 325 Cb -0.02 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 1sqb s VAL 325 CO -0.03 0.47 0.40 0.00 -0.31 0.00 0.00 175.10 175.63 1sqb s ASP 327 N -2.97 3.84 0.37 0.00 2.15 -1.26 -0.96 116.67 117.84 1sqb s ASP 327 Ca 0.18 2.44 0.10 0.00 0.43 0.00 0.00 52.55 55.70 1sqb s ASP 327 Cb 0.01 -2.60 0.87 0.00 -0.30 0.00 0.00 42.92 40.90 1sqb s ASP 327 CO 0.03 -2.51 1.89 1.12 -0.17 0.00 0.00 175.17 175.53 1sqb h HIS 328 N -0.54 0.74 -0.00 -5.34 2.07 -1.83 -2.21 115.15 108.04 1sqb h HIS 328 Ca -0.47 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1sqb h HIS 328 Cb 1.31 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1sqb h HIS 328 CO 0.45 0.28 -0.04 -1.33 -3.07 0.00 0.00 177.93 174.23 1sqb n MET 329 N -4.54 0.50 -0.15 5.12 2.81 -1.26 -4.09 117.12 115.52 1sqb n MET 329 Ca 0.16 -0.06 0.07 0.00 -1.81 0.00 0.00 57.70 56.06 1sqb n MET 329 Cb 0.47 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.63 1sqb n MET 329 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1sqb n SER 330 N -1.20 2.86 -0.08 7.83 7.64 -0.83 -4.62 113.62 125.22 1sqb n SER 330 Ca 0.14 -1.86 -0.14 0.00 1.01 0.00 0.00 58.87 58.02 1sqb n SER 330 Cb 0.25 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 1sqb n SER 330 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1sqb h ILE 331 N 2.76 1.31 0.50 0.44 2.04 -1.71 -2.42 117.51 120.43 1sqb h ILE 331 Ca 0.00 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.28 1sqb h ILE 331 Cb 0.74 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1sqb h ILE 331 CO 0.00 0.49 -0.24 -0.78 0.00 0.00 0.00 178.15 177.62 1sqb h ASP 332 N 0.40 -0.57 -0.84 1.72 3.58 -1.82 -0.84 116.42 118.06 1sqb h ASP 332 Ca 0.03 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.58 1sqb h ASP 332 Cb 0.95 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 42.07 1sqb h ASP 332 CO 0.08 -0.40 0.49 0.44 -2.88 0.00 0.00 179.24 176.98 1sqb h ASP 333 N -0.68 0.71 -0.59 2.28 3.32 -1.87 -1.03 116.42 118.56 1sqb h ASP 333 Ca -0.07 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1sqb h ASP 333 Cb 0.52 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1sqb h ASP 333 CO 0.11 0.41 0.20 -0.03 -1.72 0.00 0.00 179.24 178.22 1sqb h MET 334 N 0.83 0.91 -0.13 3.56 4.05 -1.19 0.49 114.93 123.44 1sqb h MET 334 Ca 0.40 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1sqb h MET 334 Cb 0.35 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1sqb h MET 334 CO -0.24 0.81 0.08 1.98 0.23 0.00 0.00 176.91 179.76 1sqb h MET 335 N 0.84 0.18 -0.27 0.39 1.85 -0.69 -1.99 114.93 115.24 1sqb h MET 335 Ca 0.19 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.29 1sqb h MET 335 Cb 0.26 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1sqb h MET 335 CO -0.01 0.18 0.11 0.35 -0.40 0.00 0.00 176.91 177.14 1sqb h PHE 336 N 0.13 0.20 -0.17 1.39 3.57 -0.64 0.95 116.94 122.37 1sqb h PHE 336 Ca 0.05 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 1sqb h PHE 336 Cb 0.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1sqb h PHE 336 CO -0.05 0.10 -0.48 0.28 -2.23 0.00 0.00 178.31 175.93 1sqb h VAL 337 N 0.24 1.32 0.03 1.41 2.07 -0.90 -0.38 116.25 120.04 1sqb h VAL 337 Ca 0.12 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1sqb h VAL 337 Cb 0.07 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1sqb h VAL 337 CO -0.10 0.52 -0.02 0.25 0.02 0.00 0.00 177.57 178.24 1sqb h LEU 338 N 0.36 -0.04 -0.77 2.57 5.85 -1.03 -2.69 115.31 119.57 1sqb h LEU 338 Ca 0.02 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1sqb h LEU 338 Cb 0.97 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1sqb h LEU 338 CO 0.08 0.55 0.50 1.56 -0.34 0.00 0.00 178.44 180.79 1sqb h GLN 339 N -0.64 0.97 -0.19 1.25 4.20 -0.71 -1.03 115.11 118.95 1sqb h GLN 339 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1sqb h GLN 339 Cb 0.58 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1sqb h GLN 339 CO 0.01 0.64 0.12 0.78 -0.67 0.00 0.00 178.83 179.71 1sqb h GLY 340 N 1.00 0.27 1.01 3.46 0.00 -1.14 -1.40 103.07 106.28 1sqb h GLY 340 Ca 0.29 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.36 1sqb h GLY 340 CO -0.09 0.10 -0.50 1.46 0.00 0.00 0.00 176.54 177.52 1sqb h GLN 341 N 0.26 0.70 -0.82 4.80 1.08 -0.87 0.73 115.11 120.99 1sqb h GLN 341 Ca 0.07 -0.48 0.06 0.00 -1.45 0.00 0.00 58.65 56.85 1sqb h GLN 341 Cb -0.02 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 1sqb h GLN 341 CO -0.01 1.10 0.51 -1.49 -0.95 0.00 0.00 178.83 177.98 1sqb h TRP 342 N 0.41 0.94 -0.09 2.96 6.55 -0.69 -2.09 115.95 123.94 1sqb h TRP 342 Ca -0.00 0.03 -0.22 0.00 0.95 0.00 0.00 58.89 59.65 1sqb h TRP 342 Cb 1.11 -0.30 0.01 0.00 -0.86 0.00 0.00 29.16 29.12 1sqb h TRP 342 CO 0.09 0.49 -0.79 1.98 -1.05 0.00 0.00 178.44 179.16 1sqb h MET 343 N 0.94 0.69 -0.37 0.49 4.05 -1.19 0.05 114.93 119.58 1sqb h MET 343 Ca 0.36 -0.62 0.08 0.00 -0.28 0.00 0.00 59.70 59.23 1sqb h MET 343 Cb 0.14 0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 31.02 1sqb h MET 343 CO -0.16 1.23 -0.13 -0.09 0.23 0.00 0.00 176.91 177.98 1sqb h ARG 344 N 0.36 -0.05 -0.38 0.39 2.43 -0.75 -1.73 114.38 114.65 1sqb h ARG 344 Ca -0.07 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1sqb h ARG 344 Cb 1.43 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1sqb h ARG 344 CO 0.16 -0.04 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.35 1sqb h LEU 345 N -0.06 0.71 -1.24 3.80 3.38 -1.24 0.72 115.31 121.38 1sqb h LEU 345 Ca 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1sqb h LEU 345 Cb 0.34 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sqb h LEU 345 CO -0.42 0.88 0.11 0.00 0.09 0.00 0.00 178.44 179.10 1sqb n THR 347 N -4.32 0.79 -2.49 0.00 -2.24 -0.69 -4.59 114.28 100.74 1sqb n THR 347 Ca 0.03 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 1sqb n THR 347 Cb 0.19 -0.88 0.03 0.00 -2.10 0.00 0.00 70.33 67.58 1sqb n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sqb n SER 348 N -2.71 1.14 -4.66 3.42 3.41 0.25 -5.07 113.62 109.41 1sqb n SER 348 Ca -0.22 -2.12 -0.39 0.00 -0.26 0.00 0.00 58.87 55.88 1sqb n SER 348 Cb 0.80 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1sqb n SER 348 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqb n ALA 349 N 0.26 0.68 -2.44 7.33 0.00 -1.17 -4.86 120.51 120.32 1sqb n ALA 349 Ca 0.07 0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 1sqb n ALA 349 Cb 1.08 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 1sqb n ALA 349 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqb s THR 350 N -1.35 2.11 0.23 0.00 -4.23 -1.26 -4.88 115.64 106.27 1sqb s THR 350 Ca 0.69 -1.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 1sqb s THR 350 Cb -0.47 -1.90 0.23 0.00 1.34 0.00 0.00 72.50 71.70 1sqb s THR 350 CO 0.52 -0.01 1.67 -0.33 -0.54 0.00 0.00 174.62 175.93 1sqb h GLU 351 N 3.78 0.18 0.60 3.99 3.07 -1.96 -2.76 114.58 121.48 1sqb h GLU 351 Ca -0.49 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 1sqb h GLU 351 Cb 1.18 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1sqb h GLU 351 CO 0.41 0.12 -0.29 1.03 -1.40 0.00 0.00 179.01 178.88 1sqb h SER 352 N 0.18 -0.69 -0.30 1.42 0.87 -2.00 -2.20 113.55 110.85 1sqb h SER 352 Ca 0.38 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 61.00 1sqb h SER 352 Cb 0.65 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1sqb h SER 352 CO -0.55 -0.37 0.21 1.05 -0.53 0.00 0.00 176.83 176.64 1sqb h GLU 353 N -1.00 0.03 -0.14 2.24 4.11 -1.99 -0.39 114.58 117.44 1sqb h GLU 353 Ca -0.08 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.18 1sqb h GLU 353 Cb 0.67 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1sqb h GLU 353 CO 0.14 0.02 -0.61 0.28 0.07 0.00 0.00 179.01 178.90 1sqb h VAL 354 N 0.03 1.34 -0.62 -1.06 2.07 -1.26 -1.63 116.25 115.12 1sqb h VAL 354 Ca 0.14 -1.91 -0.08 0.00 0.82 0.00 0.00 66.70 65.67 1sqb h VAL 354 Cb 0.53 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1sqb h VAL 354 CO -0.01 0.59 0.08 0.25 0.02 0.00 0.00 177.57 178.50 1sqb h LEU 355 N 0.35 0.97 -0.08 2.57 6.46 -0.45 -0.06 115.31 125.08 1sqb h LEU 355 Ca -0.01 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1sqb h LEU 355 Cb 1.16 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1sqb h LEU 355 CO 0.11 0.98 0.05 -0.09 -0.62 0.00 0.00 178.44 178.87 1sqb h ARG 356 N 0.95 0.11 -0.87 1.25 2.43 -1.18 0.11 114.38 117.18 1sqb h ARG 356 Ca 0.19 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1sqb h ARG 356 Cb 0.44 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 1sqb h ARG 356 CO 0.01 0.12 0.57 0.78 -1.51 0.00 0.00 179.97 179.95 1sqb h GLY 357 N 0.07 1.25 0.92 2.80 0.00 -1.03 0.22 103.07 107.31 1sqb h GLY 357 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1sqb h GLY 357 CO -0.01 0.27 0.04 0.50 0.00 0.00 0.00 176.54 177.35 1sqb h LYS 358 N 0.96 0.63 -0.47 4.80 1.57 -0.51 -2.59 116.57 120.95 1sqb h LYS 358 Ca 0.38 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1sqb h LYS 358 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1sqb h LYS 358 CO -0.14 0.70 0.06 -0.91 -0.57 0.00 0.00 179.45 178.59 1sqb h ASN 359 N 0.46 0.77 -0.94 0.86 2.35 0.14 -0.72 115.58 118.49 1sqb h ASN 359 Ca 0.11 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1sqb h ASN 359 Cb 0.39 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 1sqb h ASN 359 CO 0.01 0.85 0.62 -0.07 -1.65 0.00 0.00 177.43 177.19 1sqb h LEU 360 N 0.66 1.03 -0.19 1.61 3.38 -0.62 -1.56 115.31 119.62 1sqb h LEU 360 Ca 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1sqb h LEU 360 Cb 0.42 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sqb h LEU 360 CO 0.01 0.72 -0.12 0.25 0.09 0.00 0.00 178.44 179.39 1sqb h LEU 361 N 1.20 0.44 -0.61 1.67 5.85 -1.04 0.44 115.31 123.26 1sqb h LEU 361 Ca 0.37 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1sqb h LEU 361 Cb -0.01 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1sqb h LEU 361 CO -0.11 0.78 0.28 0.03 -0.34 0.00 0.00 178.44 179.08 1sqb h ARG 362 N 0.10 0.49 -0.37 1.25 3.08 -0.96 0.16 114.38 118.13 1sqb h ARG 362 Ca 0.04 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1sqb h ARG 362 Cb 0.63 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1sqb h ARG 362 CO 0.03 0.32 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.29 1sqb h ASN 363 N 0.50 0.70 -0.60 7.04 2.35 -1.06 -1.36 115.58 123.14 1sqb h ASN 363 Ca 0.29 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1sqb h ASN 363 Cb 0.29 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1sqb h ASN 363 CO -0.25 0.88 0.38 0.00 -1.65 0.00 0.00 177.43 176.79 1sqb h ALA 364 N 0.84 0.77 -0.37 -0.83 0.00 0.29 0.17 119.26 120.14 1sqb h ALA 364 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1sqb h ALA 364 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1sqb h ALA 364 CO 0.03 0.15 -0.17 1.25 0.00 0.00 0.00 179.25 180.51 1sqb h LEU 365 N 0.77 0.78 -0.06 0.00 5.85 -0.50 -1.58 115.31 120.57 1sqb h LEU 365 Ca 0.23 -0.40 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1sqb h LEU 365 Cb -0.03 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 40.79 1sqb h LEU 365 CO -0.08 1.01 -0.48 0.58 -0.34 0.00 0.00 178.44 179.13 1sqb h VAL 366 N 0.55 1.41 -0.45 1.05 2.07 -1.19 -2.93 116.25 116.77 1sqb h VAL 366 Ca 0.08 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 1sqb h VAL 366 Cb 0.71 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1sqb h VAL 366 CO 0.05 0.55 0.19 -1.28 0.02 0.00 0.00 177.57 177.11 1sqb h SER 367 N -0.04 0.56 -0.37 0.57 0.87 -1.01 -2.87 113.55 111.26 1sqb h SER 367 Ca -0.04 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1sqb h SER 367 Cb 1.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1sqb h SER 367 CO 0.10 0.50 0.05 -0.74 -0.53 0.00 0.00 176.83 176.21 1sqb h HIS 368 N 0.63 0.65 -0.40 2.24 6.17 -1.32 -3.31 115.15 119.80 1sqb h HIS 368 Ca 0.16 -0.09 -0.67 0.00 0.71 0.00 0.00 60.37 60.47 1sqb h HIS 368 Cb 0.10 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 29.82 1sqb h HIS 368 CO 0.01 0.67 3.15 1.28 0.71 0.00 0.00 177.93 183.75 1sqb n LEU 369 N -4.55 8.36 -4.08 0.26 4.77 -1.08 -4.76 117.00 115.93 1sqb n LEU 369 Ca -0.01 -4.49 -0.33 0.00 -0.03 0.00 0.00 56.01 51.15 1sqb n LEU 369 Cb 0.24 -1.48 -0.14 0.00 -2.33 0.00 0.00 43.42 39.70 1sqb n LEU 369 CO 0.39 2.05 -0.31 -0.62 -1.33 0.00 0.00 177.39 177.57 1sqb s ASP 370 N 1.53 4.88 0.00 -1.43 -1.08 -1.25 -4.86 116.67 114.46 1sqb s ASP 370 Ca 0.64 -1.90 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 1sqb s ASP 370 Cb 0.19 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.97 1sqb s ASP 370 CO -0.07 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.84 1sqb n GLY 371 N 4.42 0.33 0.32 2.66 0.00 -1.26 -4.65 105.19 107.01 1sqb n GLY 371 Ca -0.03 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1sqb n GLY 371 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sqb h THR 372 N 0.00 1.21 -0.03 2.61 1.35 -1.94 -2.94 112.91 113.16 1sqb h THR 372 Ca 0.00 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1sqb h THR 372 Cb 0.00 0.43 -0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1sqb h THR 372 CO 0.00 0.25 -0.00 0.74 -0.25 0.00 0.00 175.52 176.25 1sqb h THR 373 N 0.87 1.29 -0.80 6.82 2.02 -1.89 -1.44 112.91 119.77 1sqb h THR 373 Ca 0.21 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1sqb h THR 373 Cb 0.11 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1sqb h THR 373 CO -0.03 0.23 0.46 -0.65 0.37 0.00 0.00 175.52 175.90 1sqb h PRO 374 N -0.30 1.10 -0.29 6.66 0.11 -1.81 -2.21 132.00 135.26 1sqb h PRO 374 Ca 0.01 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 1sqb h PRO 374 Cb 0.37 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1sqb h PRO 374 CO 0.00 0.79 -0.21 0.28 -0.21 0.00 0.00 178.00 178.66 1sqb h VAL 375 N 1.10 1.30 -0.68 3.15 2.07 -1.56 -1.00 116.25 120.63 1sqb h VAL 375 Ca 0.28 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1sqb h VAL 375 Cb -0.01 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1sqb h VAL 375 CO -0.05 0.43 0.35 0.00 0.02 0.00 0.00 177.57 178.32 1sqb h GLU 377 N 0.95 0.98 -0.06 0.00 4.81 -1.22 -1.98 114.58 118.05 1sqb h GLU 377 Ca 0.24 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1sqb h GLU 377 Cb 0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1sqb h GLU 377 CO -0.04 0.97 -0.53 0.22 -0.73 0.00 0.00 179.01 178.91 1sqb h ASP 378 N 0.89 0.17 -0.02 1.04 3.58 -0.06 -1.73 116.42 120.30 1sqb h ASP 378 Ca 0.16 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1sqb h ASP 378 Cb 0.54 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1sqb h ASP 378 CO 0.03 0.67 -0.01 0.40 -2.88 0.00 0.00 179.24 177.45 1sqb h ILE 379 N 0.12 1.35 -0.20 2.25 2.04 -0.55 -2.43 117.51 120.09 1sqb h ILE 379 Ca 0.00 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1sqb h ILE 379 Cb 0.97 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1sqb h ILE 379 CO 0.08 0.28 0.09 1.23 0.00 0.00 0.00 178.15 179.83 1sqb h GLY 380 N -0.40 0.31 0.86 5.37 0.00 -1.31 -2.69 103.07 105.21 1sqb h GLY 380 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1sqb h GLY 380 CO 0.00 0.15 -0.08 3.21 0.00 0.00 0.00 176.54 179.83 1sqb h ARG 381 N 0.18 0.51 -0.39 4.80 2.47 -1.42 -3.06 114.38 117.47 1sqb h ARG 381 Ca 0.07 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 1sqb h ARG 381 Cb 0.14 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1sqb h ARG 381 CO -0.01 0.74 0.00 0.77 0.56 0.00 0.00 179.97 182.03 1sqb h SER 382 N 0.26 0.59 0.43 7.04 0.02 -1.46 -1.41 113.55 119.01 1sqb h SER 382 Ca 0.06 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1sqb h SER 382 Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1sqb h SER 382 CO 0.03 0.66 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.94 1sqb h LEU 383 N 0.60 0.00 0.14 5.07 -0.00 -1.46 0.30 115.31 119.95 1sqb h LEU 383 Ca 0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.72 1sqb h LEU 383 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1sqb h LEU 383 CO 0.01 0.37 -1.31 -0.07 -0.00 0.00 0.00 178.44 177.44 1sqb h LEU 384 N 0.00 0.46 0.00 1.67 3.38 -1.30 -3.06 115.31 116.47 1sqb h LEU 384 Ca -0.00 -0.51 -0.37 0.00 0.09 0.00 0.00 57.88 57.08 1sqb h LEU 384 Cb 0.68 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1sqb h LEU 384 CO 0.05 1.41 -2.36 0.35 0.09 0.00 0.00 178.44 177.98 1sqb n THR 385 N -3.54 1.44 0.02 0.22 -2.24 -0.59 -4.58 114.28 105.01 1sqb n THR 385 Ca -0.10 -0.77 0.05 0.00 -2.27 0.00 0.00 64.05 60.95 1sqb n THR 385 Cb 1.04 -0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1sqb n THR 385 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1sqb n TYR 386 N -2.92 0.00 0.00 4.78 4.01 0.99 -4.55 117.16 119.46 1sqb n TYR 386 Ca -0.35 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1sqb n TYR 386 Cb 1.11 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1sqb n TYR 386 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqb n GLY 387 N 1.90 2.74 3.62 2.72 0.00 -0.89 -4.96 105.19 110.32 1sqb n GLY 387 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1sqb n GLY 387 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqb s ARG 388 N -0.04 2.00 -0.31 1.61 3.00 -1.26 -4.80 118.95 119.15 1sqb s ARG 388 Ca 0.00 -2.21 -0.16 0.00 0.00 0.00 0.00 55.73 53.36 1sqb s ARG 388 Cb 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 34.95 33.73 1sqb s ARG 388 CO 0.00 -0.31 0.41 0.50 0.00 0.00 0.00 175.30 175.90 1sqb s ARG 389 N -3.80 3.80 -0.33 3.54 6.06 -1.26 -3.72 118.95 123.23 1sqb s ARG 389 Ca 0.21 -0.13 -0.29 0.00 -2.50 0.00 0.00 55.73 53.02 1sqb s ARG 389 Cb 0.04 -3.73 0.01 0.00 0.06 0.00 0.00 34.95 31.33 1sqb s ARG 389 CO 0.11 -0.44 1.18 0.42 -2.50 0.00 0.00 175.30 174.07 1sqb s ILE 390 N 2.14 4.31 0.53 4.11 1.01 -1.26 -5.00 121.20 127.04 1sqb s ILE 390 Ca 0.15 1.47 -0.21 0.00 0.00 0.00 0.00 60.65 62.07 1sqb s ILE 390 Cb -0.16 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 1sqb s ILE 390 CO 0.11 -0.55 1.19 -2.84 0.00 0.00 0.00 174.94 172.84 1sqb s PRO 391 N 3.99 3.38 0.33 2.79 0.02 -1.26 -4.84 135.00 139.41 1sqb s PRO 391 Ca 0.50 1.79 0.06 0.00 0.02 0.00 0.00 61.00 63.37 1sqb s PRO 391 Cb -0.13 -2.15 0.71 0.00 0.02 0.00 0.00 34.50 32.95 1sqb s PRO 391 CO 0.21 -0.87 1.86 -0.07 -0.33 0.00 0.00 177.00 177.80 1sqb h LEU 392 N 1.44 0.76 -1.08 -5.54 4.07 -1.95 -1.02 115.31 112.00 1sqb h LEU 392 Ca -0.50 0.04 0.07 0.00 0.08 0.00 0.00 57.88 57.57 1sqb h LEU 392 Cb 1.27 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.83 1sqb h LEU 392 CO 0.58 0.40 0.62 0.00 -1.08 0.00 0.00 178.44 178.96 1sqb h ALA 393 N 1.58 1.46 -0.35 1.53 0.00 -1.92 -0.80 119.26 120.75 1sqb h ALA 393 Ca 0.46 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 1sqb h ALA 393 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sqb h ALA 393 CO -0.22 0.39 -0.33 1.49 0.00 0.00 0.00 179.25 180.58 1sqb h GLU 394 N 1.10 0.84 -0.52 0.00 4.81 -1.57 -0.04 114.58 119.20 1sqb h GLU 394 Ca 0.42 -0.44 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1sqb h GLU 394 Cb 0.20 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1sqb h GLU 394 CO -0.16 1.08 0.31 -1.49 -0.73 0.00 0.00 179.01 178.01 1sqb h TRP 395 N 0.64 0.58 -0.22 0.92 -0.00 -1.09 0.54 115.95 117.32 1sqb h TRP 395 Ca 0.06 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.98 1sqb h TRP 395 Cb 0.91 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.87 1sqb h TRP 395 CO 0.07 0.33 0.12 1.49 -0.00 0.00 0.00 178.44 180.45 1sqb h GLU 396 N 0.61 0.25 -0.63 0.49 4.57 -1.03 0.35 114.58 119.19 1sqb h GLU 396 Ca 0.21 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 1sqb h GLU 396 Cb 0.03 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 1sqb h GLU 396 CO -0.10 0.17 0.27 1.03 -1.18 0.00 0.00 179.01 179.20 1sqb h SER 397 N 0.26 0.32 0.90 1.04 0.87 -0.71 0.50 113.55 116.72 1sqb h SER 397 Ca 0.09 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1sqb h SER 397 Cb -0.00 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1sqb h SER 397 CO -0.04 0.19 -0.47 -0.09 -0.53 0.00 0.00 176.83 175.88 1sqb h ARG 398 N 0.48 0.00 0.07 2.24 2.43 -0.18 -2.93 114.38 116.49 1sqb h ARG 398 Ca 0.31 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1sqb h ARG 398 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sqb h ARG 398 CO -0.28 0.47 -0.03 0.82 -1.51 0.00 0.00 179.97 179.44 1sqb h ILE 399 N 0.00 1.21 -0.82 1.20 2.04 0.78 -3.32 117.51 118.60 1sqb h ILE 399 Ca -0.00 -1.40 0.24 0.00 1.00 0.00 0.00 64.86 64.70 1sqb h ILE 399 Cb 1.05 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 1sqb h ILE 399 CO 0.06 0.32 0.59 0.00 0.00 0.00 0.00 178.15 179.13 1sqb h ALA 400 N 0.02 2.78 0.00 1.87 0.00 -0.05 -0.43 119.26 123.45 1sqb h ALA 400 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1sqb h ALA 400 Cb 0.60 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1sqb h ALA 400 CO 0.02 -1.02 -0.09 1.49 0.00 0.00 0.00 179.25 179.64 1sqb h GLU 401 N 0.00 0.00 -5.59 0.00 4.81 -1.61 -3.42 114.58 108.77 1sqb h GLU 401 Ca 0.39 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 59.00 1sqb h GLU 401 Cb 1.58 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.82 1sqb h GLU 401 CO -0.00 0.09 0.86 0.08 -0.73 0.00 0.00 179.01 179.31 1sqb s VAL 402 N -4.11 4.27 0.47 0.32 1.01 -0.17 -4.95 120.40 117.24 1sqb s VAL 402 Ca -0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1sqb s VAL 402 Cb 0.12 -4.81 0.10 0.00 0.00 0.00 0.00 36.38 31.79 1sqb s VAL 402 CO 0.56 -1.61 0.64 -0.90 0.00 0.00 0.00 175.10 173.79 1sqb n ASP 403 N 7.86 0.54 -0.31 3.32 5.75 -1.26 -4.86 116.55 127.59 1sqb n ASP 403 Ca 0.11 -1.53 -0.04 0.00 -0.01 0.00 0.00 54.79 53.32 1sqb n ASP 403 Cb 0.48 -0.44 0.08 0.00 -1.03 0.00 0.00 41.12 40.20 1sqb n ASP 403 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqb h ALA 404 N -0.99 1.06 -0.86 2.12 0.00 -1.87 -2.47 119.26 116.25 1sqb h ALA 404 Ca -0.21 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1sqb h ALA 404 Cb 0.70 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1sqb h ALA 404 CO 0.20 0.49 0.54 -0.09 0.00 0.00 0.00 179.25 180.39 1sqb h ARG 405 N 1.14 0.96 0.15 0.00 2.43 -1.95 -1.32 114.38 115.78 1sqb h ARG 405 Ca 0.30 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1sqb h ARG 405 Cb -0.10 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.24 1sqb h ARG 405 CO -0.06 0.63 -0.07 0.28 -1.51 0.00 0.00 179.97 179.24 1sqb h VAL 406 N 0.98 0.87 0.10 0.20 2.07 -1.88 -2.24 116.25 116.36 1sqb h VAL 406 Ca 0.37 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.84 1sqb h VAL 406 Cb 0.16 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1sqb h VAL 406 CO -0.17 0.02 -0.24 0.58 0.02 0.00 0.00 177.57 177.78 1sqb h VAL 407 N -0.23 0.46 0.00 2.57 2.07 -0.87 0.49 116.25 120.74 1sqb h VAL 407 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1sqb h VAL 407 Cb 0.18 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1sqb h VAL 407 CO 0.03 0.00 -0.28 0.08 0.02 0.00 0.00 177.57 177.42 1sqb h ARG 408 N -0.43 0.00 -0.01 1.57 0.11 -1.33 0.36 114.38 114.66 1sqb h ARG 408 Ca 0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 1sqb h ARG 408 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1sqb h ARG 408 CO -0.15 0.28 -0.02 0.93 0.10 0.00 0.00 179.97 181.11 1sqb h GLU 409 N 0.00 0.03 -0.42 0.08 5.08 -0.90 -2.40 114.58 116.05 1sqb h GLU 409 Ca -0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1sqb h GLU 409 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1sqb h GLU 409 CO 0.04 0.66 -0.14 0.28 -1.00 0.00 0.00 179.01 178.85 1sqb h VAL 410 N -0.59 1.28 -0.51 3.13 2.07 -0.65 -1.51 116.25 119.45 1sqb h VAL 410 Ca -0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1sqb h VAL 410 Cb 0.66 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1sqb h VAL 410 CO 0.01 0.42 0.34 0.00 0.02 0.00 0.00 177.57 178.36 1sqb h SER 412 N 0.69 0.54 -0.99 0.00 0.02 -1.25 0.99 113.55 113.56 1sqb h SER 412 Ca 0.19 -0.05 0.25 0.00 -0.84 0.00 0.00 61.79 61.33 1sqb h SER 412 Cb -0.08 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.20 1sqb h SER 412 CO -0.04 0.43 0.56 0.50 -1.14 0.00 0.00 176.83 177.14 1sqb h LYS 413 N 0.60 0.52 0.00 3.45 3.64 -1.11 -2.66 116.57 121.00 1sqb h LYS 413 Ca 0.16 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.22 1sqb h LYS 413 Cb -0.01 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 1sqb h LYS 413 CO -0.03 0.34 -2.09 0.66 -2.27 0.00 0.00 179.45 176.07 1sqb n TYR 414 N -4.92 0.00 -0.09 1.91 4.01 -0.89 -4.81 117.16 112.36 1sqb n TYR 414 Ca 0.26 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.83 1sqb n TYR 414 Cb 0.75 -0.73 -0.10 0.00 -0.31 0.00 0.00 39.34 38.95 1sqb n TYR 414 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1sqb h PHE 415 N -0.14 0.00 -2.35 -0.72 0.04 0.97 -3.44 116.94 111.30 1sqb h PHE 415 Ca -0.44 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.77 1sqb h PHE 415 Cb 1.61 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.80 1sqb h PHE 415 CO 0.00 1.18 1.08 0.98 -0.60 0.00 0.00 178.31 180.95 1sqb n TYR 416 N -4.49 2.50 -3.83 -0.55 9.36 -1.01 -3.24 117.16 115.90 1sqb n TYR 416 Ca -0.25 -0.08 -0.29 0.00 3.32 0.00 0.00 57.90 60.60 1sqb n TYR 416 Cb 0.58 -2.70 0.01 0.00 -0.63 0.00 0.00 39.34 36.60 1sqb n TYR 416 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1sqb n ASP 417 N 5.74 -2.68 -4.36 2.98 2.03 0.76 -4.89 116.55 116.11 1sqb n ASP 417 Ca 0.19 -1.02 -0.23 0.00 0.52 0.00 0.00 54.79 54.26 1sqb n ASP 417 Cb 0.35 -3.17 -0.11 0.00 -0.72 0.00 0.00 41.12 37.47 1sqb n ASP 417 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1sqb s GLN 418 N -6.32 1.37 -0.30 -0.67 -1.52 -1.20 -5.05 119.66 105.96 1sqb s GLN 418 Ca 0.23 -1.48 -0.25 0.00 -1.95 0.00 0.00 55.36 51.91 1sqb s GLN 418 Cb -0.09 -1.46 0.00 0.00 -0.22 0.00 0.00 33.01 31.25 1sqb s GLN 418 CO 0.88 0.29 0.86 0.00 -0.25 0.00 0.00 175.29 177.07 1sqb s PRO 420 N 3.09 3.82 -0.22 0.00 0.05 -1.26 -4.47 135.00 136.00 1sqb s PRO 420 Ca 0.36 0.88 -0.13 0.00 0.05 0.00 0.00 61.00 62.15 1sqb s PRO 420 Cb -0.14 -2.12 -0.04 0.00 0.05 0.00 0.00 34.50 32.25 1sqb s PRO 420 CO 0.12 -0.38 0.29 0.00 0.05 0.00 0.00 177.00 177.08 1sqb s ALA 421 N -2.83 3.58 -0.15 8.56 0.00 0.25 -2.33 121.76 128.85 1sqb s ALA 421 Ca 0.57 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1sqb s ALA 421 Cb -0.10 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.51 1sqb s ALA 421 CO 0.40 -0.29 -0.20 0.08 0.00 0.00 0.00 175.76 175.74 1sqb s VAL 422 N 1.28 2.21 -0.14 0.00 1.01 0.39 -0.80 120.40 124.35 1sqb s VAL 422 Ca 0.14 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1sqb s VAL 422 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1sqb s VAL 422 CO 0.07 0.54 -0.22 0.00 0.00 0.00 0.00 175.10 175.49 1sqb s ALA 423 N 0.85 2.22 -0.02 5.51 0.00 0.85 -0.46 121.76 130.71 1sqb s ALA 423 Ca -0.06 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1sqb s ALA 423 Cb -0.15 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1sqb s ALA 423 CO -0.02 -0.04 -0.14 0.20 0.00 0.00 0.00 175.76 175.76 1sqb s GLY 424 N 0.84 0.72 -0.07 0.00 0.00 0.45 -0.49 107.32 108.77 1sqb s GLY 424 Ca -0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1sqb s GLY 424 CO -0.02 -0.35 0.18 -0.12 0.00 0.00 0.00 173.10 172.79 1sqb s PHE 425 N -0.09 -0.21 0.00 1.90 5.36 0.06 -0.79 117.98 124.22 1sqb s PHE 425 Ca 0.01 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 1sqb s PHE 425 Cb -0.08 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 1sqb s PHE 425 CO 0.00 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 1sqb n GLY 426 N 3.13 0.17 3.58 13.12 0.00 -0.82 -0.26 105.19 124.10 1sqb n GLY 426 Ca -0.14 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 1sqb n GLY 426 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqb s PRO 427 N 0.00 3.28 -0.24 1.61 0.04 -1.10 -0.23 135.00 138.36 1sqb s PRO 427 Ca 0.00 -1.57 0.13 0.00 0.04 0.00 0.00 61.00 59.61 1sqb s PRO 427 Cb 0.00 -5.39 0.56 0.00 0.04 0.00 0.00 34.50 29.71 1sqb s PRO 427 CO 0.00 -3.06 1.51 0.44 0.04 0.00 0.00 177.00 175.93 1sqb n ILE 428 N 7.07 2.49 -0.21 0.56 -5.35 -1.26 -4.55 119.36 118.11 1sqb n ILE 428 Ca 0.46 -2.08 0.08 0.00 -0.27 0.00 0.00 62.75 60.94 1sqb n ILE 428 Cb 0.46 -0.29 0.35 0.00 -1.74 0.00 0.00 39.64 38.42 1sqb n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1sqb h GLU 429 N 1.72 0.74 -0.01 6.28 4.81 -1.90 -1.61 114.58 124.61 1sqb h GLU 429 Ca 0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1sqb h GLU 429 Cb 1.68 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1sqb h GLU 429 CO 0.37 0.49 -0.06 0.94 -0.73 0.00 0.00 179.01 180.02 1sqb n GLN 430 N -4.50 1.15 -1.97 1.92 7.27 -1.26 -4.87 117.38 115.12 1sqb n GLN 430 Ca 0.13 -0.50 -0.42 0.00 0.07 0.00 0.00 57.00 56.28 1sqb n GLN 430 Cb 0.29 -1.49 -0.03 0.00 2.41 0.00 0.00 30.24 31.42 1sqb n GLN 430 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1sqb s LEU 431 N -2.19 4.36 0.52 1.69 2.96 -0.61 -3.87 118.68 121.54 1sqb s LEU 431 Ca 0.36 2.44 -0.20 0.00 -0.22 0.00 0.00 54.13 56.50 1sqb s LEU 431 Cb 0.21 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.25 1sqb s LEU 431 CO 0.40 -0.86 0.86 -2.65 -1.32 0.00 0.00 176.35 172.78 1sqb n PRO 432 N 5.45 0.94 -2.01 0.98 -0.02 -1.26 -4.96 135.00 134.13 1sqb n PRO 432 Ca 0.15 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 1sqb n PRO 432 Cb 0.41 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1sqb n PRO 432 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sqb s ASP 433 N -1.04 6.12 0.26 2.55 2.15 -1.26 -4.85 116.67 120.60 1sqb s ASP 433 Ca 0.69 2.67 -0.01 0.00 0.43 0.00 0.00 52.55 56.33 1sqb s ASP 433 Cb -0.48 -2.64 0.57 0.00 -0.30 0.00 0.00 42.92 40.08 1sqb s ASP 433 CO 0.53 -0.98 1.71 0.22 -0.17 0.00 0.00 175.17 176.47 1sqb h TYR 434 N 2.43 0.53 -0.91 -5.34 3.20 -2.00 -0.14 116.97 114.74 1sqb h TYR 434 Ca -0.50 0.04 0.12 0.00 3.14 0.00 0.00 58.73 61.53 1sqb h TYR 434 Cb 1.25 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.35 1sqb h TYR 434 CO 0.52 -0.00 0.59 -0.91 -1.64 0.00 0.00 178.16 176.71 1sqb h ASN 435 N 0.40 0.78 0.11 -2.11 2.35 -1.98 0.14 115.58 115.26 1sqb h ASN 435 Ca 0.48 0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 56.04 1sqb h ASN 435 Cb 0.82 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 39.07 1sqb h ASN 435 CO -0.48 0.43 -0.84 0.03 -1.65 0.00 0.00 177.43 174.92 1sqb h ARG 436 N 0.84 0.58 -0.25 0.81 2.47 -1.41 0.21 114.38 117.63 1sqb h ARG 436 Ca 0.44 -0.53 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1sqb h ARG 436 Cb 0.52 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1sqb h ARG 436 CO -0.20 1.15 0.15 0.82 0.56 0.00 0.00 179.97 182.44 1sqb h ILE 437 N 0.37 1.10 -0.79 2.04 2.04 -0.89 -1.39 117.51 119.98 1sqb h ILE 437 Ca -0.06 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1sqb h ILE 437 Cb 1.46 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1sqb h ILE 437 CO 0.16 0.10 0.52 -0.09 0.00 0.00 0.00 178.15 178.83 1sqb h ARG 438 N 0.31 0.88 -0.12 2.37 1.12 -0.57 -0.59 114.38 117.78 1sqb h ARG 438 Ca 0.09 -0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 58.79 1sqb h ARG 438 Cb 0.03 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 29.78 1sqb h ARG 438 CO -0.02 0.58 -0.44 0.77 -3.11 0.00 0.00 179.97 177.75 1sqb h SER 439 N 0.90 0.29 0.33 -3.80 0.02 -0.60 -2.75 113.55 107.94 1sqb h SER 439 Ca 0.33 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1sqb h SER 439 Cb 0.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1sqb h SER 439 CO -0.11 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 1sqb n GLY 440 N -0.09 -0.92 0.19 -3.77 0.00 -0.24 -2.81 105.19 97.54 1sqb n GLY 440 Ca -0.02 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1sqb n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sqb n MET 441 N -1.24 0.97 -4.05 1.61 2.00 -1.03 -4.70 117.12 110.67 1sqb n MET 441 Ca 0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 57.70 57.35 1sqb n MET 441 Cb 0.15 -1.49 -0.10 0.00 0.00 0.00 0.00 33.22 31.78 1sqb n MET 441 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1sqb s PHE 442 N -2.29 0.43 -0.16 2.03 -0.71 -1.12 -0.17 117.98 115.99 1sqb s PHE 442 Ca 0.34 -0.90 -0.02 0.00 -1.04 0.00 0.00 56.93 55.30 1sqb s PHE 442 Cb 0.21 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.67 1sqb s PHE 442 CO 0.43 -0.34 -0.07 -1.58 -1.34 0.00 0.00 175.22 172.32 1sqb s TRP 443 N -3.28 2.94 0.35 3.49 0.51 -1.26 -4.97 118.94 116.72 1sqb s TRP 443 Ca 0.01 -0.50 0.24 0.00 -2.12 0.00 0.00 56.10 53.73 1sqb s TRP 443 Cb 0.03 -1.94 1.20 0.00 -0.81 0.00 0.00 33.47 31.95 1sqb s TRP 443 CO -0.08 -0.16 1.98 -0.07 -0.51 0.00 0.00 176.95 178.11 1sqb h LEU 444 N 6.89 0.00 -0.93 2.99 3.38 -2.01 -3.08 115.31 122.54 1sqb h LEU 444 Ca -0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 1sqb h LEU 444 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1sqb h LEU 444 CO 0.60 0.19 -0.52 0.08 0.09 0.00 0.00 178.44 178.88 1sqb h ARG 445 N 0.00 0.03 -0.00 1.13 0.11 -2.05 -3.58 114.38 110.03 1sqb h ARG 445 Ca -0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1sqb h ARG 445 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1sqb h ARG 445 CO 0.02 0.55 0.00 0.34 0.10 0.00 0.00 179.97 180.98