#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa0 n GLU 3 N 0.00 0.00 -4.82 5.56 2.13 -1.25 -4.70 120.64 117.57 1sa0 n GLU 3 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1sa0 n GLU 3 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 1sa0 n GLU 3 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1sa0 s ILE 4 N 0.00 1.62 0.16 6.31 -4.36 -0.62 0.80 121.20 125.10 1sa0 s ILE 4 Ca 0.00 -1.02 -0.02 0.00 -0.26 0.00 0.00 60.65 59.36 1sa0 s ILE 4 Cb 0.00 -1.37 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 1sa0 s ILE 4 CO 0.00 0.33 0.35 0.68 0.24 0.00 0.00 174.94 176.54 1sa0 s VAL 5 N -0.63 5.23 -0.26 8.37 -7.23 -1.00 -4.58 120.40 120.30 1sa0 s VAL 5 Ca 0.08 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1sa0 s VAL 5 Cb -0.08 -3.68 0.07 0.00 0.56 0.00 0.00 36.38 33.25 1sa0 s VAL 5 CO 0.00 -0.06 0.01 -2.28 -0.31 0.00 0.00 175.10 172.47 1sa0 s HIS 6 N -1.74 2.21 0.10 2.82 2.46 -0.63 -2.26 115.29 118.25 1sa0 s HIS 6 Ca 0.38 -1.79 -0.22 0.00 0.47 0.00 0.00 55.06 53.91 1sa0 s HIS 6 Cb -0.12 -1.71 -0.07 0.00 -0.13 0.00 0.00 32.58 30.56 1sa0 s HIS 6 CO 0.28 -0.80 0.66 0.42 -2.47 0.00 0.00 174.74 172.82 1sa0 s ILE 7 N 1.45 4.62 -0.23 0.89 1.01 -0.37 -1.31 121.20 127.26 1sa0 s ILE 7 Ca 0.01 1.42 -0.04 0.00 0.00 0.00 0.00 60.65 62.03 1sa0 s ILE 7 Cb -0.18 -4.00 0.09 0.00 0.01 0.00 0.00 42.46 38.37 1sa0 s ILE 7 CO -0.11 0.52 0.15 -1.58 0.00 0.00 0.00 174.94 173.92 1sa0 s GLN 8 N -0.98 0.15 -0.01 2.79 0.74 -0.26 -2.64 119.66 119.45 1sa0 s GLN 8 Ca 0.32 -0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.59 1sa0 s GLN 8 Cb -0.21 -1.38 -0.01 0.00 1.10 0.00 0.00 33.01 32.51 1sa0 s GLN 8 CO 0.22 -0.82 -0.11 0.00 -0.55 0.00 0.00 175.29 174.03 1sa0 s ALA 9 N 2.18 0.94 0.00 1.58 0.00 -0.97 -1.62 121.76 123.88 1sa0 s ALA 9 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1sa0 s ALA 9 Cb -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1sa0 s ALA 9 CO -0.21 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1sa0 n GLY 10 N 2.87 -2.09 0.00 0.00 0.00 -0.11 -4.06 105.19 101.79 1sa0 n GLY 10 Ca -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1sa0 n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa0 n GLN 11 N 0.69 0.00 0.28 1.61 7.27 -1.26 0.88 117.38 126.85 1sa0 n GLN 11 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1sa0 n GLN 11 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 1sa0 n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sa0 h GLY 13 N -0.92 -0.55 0.38 0.00 0.00 0.34 0.28 103.07 102.61 1sa0 h GLY 13 Ca -0.07 0.66 0.10 0.00 0.00 0.00 0.00 47.33 48.01 1sa0 h GLY 13 CO 0.12 -0.09 0.26 3.43 0.00 0.00 0.00 176.54 180.27 1sa0 h ASN 14 N -0.12 0.28 -0.16 0.19 4.21 -1.41 0.11 115.58 118.69 1sa0 h ASN 14 Ca 0.20 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 1sa0 h ASN 14 Cb 0.52 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1sa0 h ASN 14 CO -0.84 0.16 0.03 -0.61 -1.29 0.00 0.00 177.43 174.88 1sa0 h GLN 15 N 0.46 0.26 -0.04 0.81 5.75 -0.25 -1.49 115.11 120.60 1sa0 h GLN 15 Ca 0.33 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1sa0 h GLN 15 Cb 0.40 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1sa0 h GLN 15 CO -0.31 0.44 -0.10 0.82 -2.65 0.00 0.00 178.83 177.02 1sa0 h ILE 16 N 0.04 0.73 -0.27 2.39 2.04 0.15 -2.75 117.51 119.84 1sa0 h ILE 16 Ca 0.05 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1sa0 h ILE 16 Cb 0.30 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1sa0 h ILE 16 CO 0.00 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 179.12 1sa0 h GLY 17 N -0.16 0.56 0.73 5.37 0.00 -0.83 -2.42 103.07 106.32 1sa0 h GLY 17 Ca 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.97 1sa0 h GLY 17 CO -0.13 0.43 0.44 0.00 0.00 0.00 0.00 176.54 177.28 1sa0 h ALA 18 N 1.27 1.00 -0.30 3.60 0.00 -0.99 0.33 119.26 124.16 1sa0 h ALA 18 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1sa0 h ALA 18 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sa0 h ALA 18 CO 0.05 0.16 -0.39 0.87 0.00 0.00 0.00 179.25 179.95 1sa0 h LYS 19 N 0.82 0.72 0.25 0.00 1.79 -1.23 -2.37 116.57 116.54 1sa0 h LYS 19 Ca 0.32 -0.37 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1sa0 h LYS 19 Cb 0.15 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1sa0 h LYS 19 CO -0.16 0.98 -0.34 0.35 -1.08 0.00 0.00 179.45 179.19 1sa0 h PHE 20 N 0.59 -0.93 0.16 -1.35 3.04 -0.57 -1.28 116.94 116.60 1sa0 h PHE 20 Ca 0.05 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.03 1sa0 h PHE 20 Cb 0.92 0.38 -0.04 0.00 2.56 0.00 0.00 35.95 39.77 1sa0 h PHE 20 CO 0.05 -0.47 -0.50 -1.49 -2.02 0.00 0.00 178.31 173.88 1sa0 h TRP 21 N -0.65 -1.43 0.00 0.41 4.06 -0.30 -0.34 115.95 117.70 1sa0 h TRP 21 Ca -0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1sa0 h TRP 21 Cb 0.63 0.60 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1sa0 h TRP 21 CO -0.24 -0.59 0.00 1.05 -3.56 0.00 0.00 178.44 175.10 1sa0 h GLU 22 N -0.76 0.00 0.19 0.49 4.11 -1.40 0.20 114.58 117.41 1sa0 h GLU 22 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 1sa0 h GLU 22 Cb 0.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1sa0 h GLU 22 CO -0.25 0.00 -1.64 0.28 0.07 0.00 0.00 179.01 177.47 1sa0 h VAL 23 N 0.00 1.07 0.00 -1.06 2.07 0.12 -3.18 116.25 115.28 1sa0 h VAL 23 Ca 0.00 -2.62 -0.21 0.00 0.82 0.00 0.00 66.70 64.69 1sa0 h VAL 23 Cb 0.10 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1sa0 h VAL 23 CO 0.00 0.84 -1.00 0.16 0.02 0.00 0.00 177.57 177.59 1sa0 h ILE 24 N 0.11 1.68 -0.49 4.57 3.07 -0.77 -3.10 117.51 122.57 1sa0 h ILE 24 Ca -0.30 -3.38 -0.05 0.00 1.55 0.00 0.00 64.86 62.67 1sa0 h ILE 24 Cb 2.10 2.83 -0.02 0.00 -0.27 0.00 0.00 36.82 41.46 1sa0 h ILE 24 CO 0.20 0.96 0.09 0.28 -1.05 0.00 0.00 178.15 178.63 1sa0 h SER 25 N 0.00 0.71 1.38 2.16 0.02 -1.08 -0.60 113.55 116.15 1sa0 h SER 25 Ca -0.02 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1sa0 h SER 25 Cb 1.77 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1sa0 h SER 25 CO 0.13 0.72 -0.13 -0.78 -1.14 0.00 0.00 176.83 175.63 1sa0 h ASP 26 N 0.73 0.00 -0.12 3.07 1.82 -1.61 0.29 116.42 120.59 1sa0 h ASP 26 Ca 0.16 -0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.60 1sa0 h ASP 26 Cb 0.31 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.33 1sa0 h ASP 26 CO 0.00 0.02 -0.54 -0.08 -1.61 0.00 0.00 179.24 177.03 1sa0 h GLU 27 N 0.00 0.58 0.00 0.28 4.81 -1.11 -3.16 114.58 115.98 1sa0 h GLU 27 Ca 0.00 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1sa0 h GLU 27 Cb 0.75 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1sa0 h GLU 27 CO 0.00 1.09 -0.20 0.72 -0.73 0.00 0.00 179.01 179.89 1sa0 n HIS 28 N -4.18 0.85 -1.61 0.92 8.25 -0.37 -4.97 115.22 114.11 1sa0 n HIS 28 Ca -0.08 0.25 -0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1sa0 n HIS 28 Cb 0.62 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1sa0 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sa0 n GLY 29 N 1.31 0.23 3.11 -1.41 0.00 -0.05 -4.82 105.19 103.56 1sa0 n GLY 29 Ca 0.05 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1sa0 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sa0 s ILE 30 N -3.01 1.36 0.74 -0.61 1.09 0.81 -2.79 121.20 118.79 1sa0 s ILE 30 Ca 0.02 -0.66 -0.12 0.00 -1.10 0.00 0.00 60.65 58.79 1sa0 s ILE 30 Cb -0.00 -1.19 0.04 0.00 -1.06 0.00 0.00 42.46 40.25 1sa0 s ILE 30 CO 0.05 0.40 1.11 -1.81 -0.10 0.00 0.00 174.94 174.58 1sa0 s ASP 31 N 0.17 5.06 0.57 3.58 1.11 -1.09 -4.51 116.67 121.56 1sa0 s ASP 31 Ca -0.06 1.14 0.42 0.00 0.18 0.00 0.00 52.55 54.22 1sa0 s ASP 31 Cb -0.12 -1.88 1.52 0.00 1.07 0.00 0.00 42.92 43.51 1sa0 s ASP 31 CO 0.03 -1.59 1.57 -0.65 1.18 0.00 0.00 175.17 175.71 1sa0 h PRO 32 N -0.83 0.00 0.00 8.23 0.11 -1.95 -3.33 132.00 134.24 1sa0 h PRO 32 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sa0 h PRO 32 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1sa0 h PRO 32 CO 0.63 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.83 1sa0 n THR 33 N -3.82 0.00 -0.78 -1.15 -1.04 -1.26 -1.92 114.28 104.31 1sa0 n THR 33 Ca 0.35 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.08 1sa0 n THR 33 Cb 1.71 -0.48 0.02 0.00 -1.82 0.00 0.00 70.33 69.76 1sa0 n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sa0 n GLY 34 N 1.50 -2.22 0.00 3.41 0.00 -1.25 -3.84 105.19 102.79 1sa0 n GLY 34 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1sa0 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sa0 n SER 35 N 2.77 0.00 -4.58 1.61 3.41 -1.26 -2.67 113.62 112.90 1sa0 n SER 35 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 1sa0 n SER 35 Cb 0.54 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.56 1sa0 n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sa0 n TYR 36 N 0.00 0.41 -3.15 7.33 9.36 -1.22 -3.13 117.16 126.76 1sa0 n TYR 36 Ca 0.00 0.40 0.06 0.00 3.32 0.00 0.00 57.90 61.68 1sa0 n TYR 36 Cb 0.00 -2.07 -0.01 0.00 -0.63 0.00 0.00 39.34 36.63 1sa0 n TYR 36 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1sa0 s HIS 37 N -1.72 -0.24 0.00 2.98 3.76 -1.12 -4.95 115.29 114.00 1sa0 s HIS 37 Ca 0.73 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 1sa0 s HIS 37 Cb -0.37 0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.39 1sa0 s HIS 37 CO 0.50 -0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.67 1sa0 n GLY 38 N 5.36 3.21 0.00 -2.22 0.00 -1.26 -4.72 105.19 105.56 1sa0 n GLY 38 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1sa0 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sa0 n ASP 39 N 0.00 0.00 -4.83 1.61 9.92 -1.26 -4.68 116.55 117.31 1sa0 n ASP 39 Ca 0.00 0.02 -0.30 0.00 -0.53 0.00 0.00 54.79 53.98 1sa0 n ASP 39 Cb 0.00 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 40.52 1sa0 n ASP 39 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1sa0 s SER 40 N -1.74 5.08 0.00 -2.24 0.01 -1.26 -5.02 113.70 108.53 1sa0 s SER 40 Ca 0.00 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1sa0 s SER 40 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1sa0 s SER 40 CO 0.00 -1.61 0.00 -0.67 0.41 0.00 0.00 173.24 171.37 1sa0 n ASP 41 N -3.21 2.32 0.00 2.44 -0.08 -1.26 -4.92 116.55 111.85 1sa0 n ASP 41 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1sa0 n ASP 41 Cb 0.55 0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1sa0 n ASP 41 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1sa0 n LEU 42 N -1.89 0.00 0.00 -2.67 7.99 -1.26 -3.86 117.00 115.31 1sa0 n LEU 42 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 1sa0 n LEU 42 Cb 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1sa0 n LEU 42 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1sa0 n GLN 43 N -0.58 0.00 0.29 3.23 10.64 -1.26 -1.25 117.38 128.44 1sa0 n GLN 43 Ca 0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 1sa0 n GLN 43 Cb 0.00 0.00 0.84 0.00 -0.86 0.00 0.00 30.24 30.22 1sa0 n GLN 43 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1sa0 h LEU 44 N 0.00 0.00 0.00 2.61 3.38 -1.89 -3.28 115.31 116.13 1sa0 h LEU 44 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sa0 h LEU 44 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sa0 h LEU 44 CO 0.00 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 1sa0 n GLU 47 N -4.00 0.00 -0.75 1.13 -0.58 -0.38 -2.02 120.64 114.05 1sa0 n GLU 47 Ca -0.03 0.58 -0.15 0.00 -0.42 0.00 0.00 57.16 57.14 1sa0 n GLU 47 Cb 0.10 -1.11 0.10 0.00 -0.57 0.00 0.00 31.44 29.96 1sa0 n GLU 47 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1sa0 n ARG 48 N -1.39 1.76 0.24 3.49 1.74 -1.25 -4.12 116.66 117.13 1sa0 n ARG 48 Ca 0.00 -1.76 0.12 0.00 -0.77 0.00 0.00 57.85 55.44 1sa0 n ARG 48 Cb 0.00 -1.69 0.59 0.00 -1.02 0.00 0.00 32.46 30.34 1sa0 n ARG 48 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1sa0 h ILE 49 N 0.64 0.51 -0.66 0.55 6.09 -1.47 -2.48 117.51 120.69 1sa0 h ILE 49 Ca 0.37 -0.84 0.09 0.00 -1.37 0.00 0.00 64.86 63.10 1sa0 h ILE 49 Cb 1.92 1.58 -0.11 0.00 0.47 0.00 0.00 36.82 40.68 1sa0 h ILE 49 CO 0.68 0.17 -0.49 -1.13 -3.07 0.00 0.00 178.15 174.31 1sa0 h ASN 50 N 0.00 -1.70 -0.86 2.19 -1.24 -1.76 -1.20 115.58 111.01 1sa0 h ASN 50 Ca -0.00 0.27 0.22 0.00 0.71 0.00 0.00 56.30 57.50 1sa0 h ASN 50 Cb 0.56 0.76 -0.14 0.00 0.73 0.00 0.00 38.32 40.23 1sa0 h ASN 50 CO 0.02 -0.33 0.25 0.58 -1.29 0.00 0.00 177.43 176.67 1sa0 h VAL 51 N -0.20 0.36 -0.15 2.57 2.07 -1.76 -2.18 116.25 116.96 1sa0 h VAL 51 Ca 0.17 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1sa0 h VAL 51 Cb 0.55 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1sa0 h VAL 51 CO -0.74 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 175.67 1sa0 n TYR 52 N -5.19 0.19 -3.52 1.57 4.02 -1.15 -1.60 117.16 111.48 1sa0 n TYR 52 Ca 0.21 -0.19 -0.23 0.00 -0.01 0.00 0.00 57.90 57.68 1sa0 n TYR 52 Cb 0.65 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.82 1sa0 n TYR 52 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1sa0 s TYR 53 N -1.01 -0.05 -0.01 -0.72 1.51 -0.46 -3.19 117.35 113.42 1sa0 s TYR 53 Ca 0.18 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1sa0 s TYR 53 Cb 0.11 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 1sa0 s TYR 53 CO 0.16 -0.67 1.21 1.21 -1.11 0.00 0.00 175.55 176.34 1sa0 s ASN 54 N 2.23 7.06 -0.16 2.29 3.84 -1.22 -4.45 114.94 124.53 1sa0 s ASN 54 Ca 0.06 1.90 -0.05 0.00 0.21 0.00 0.00 52.86 54.99 1sa0 s ASN 54 Cb -0.16 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 37.95 1sa0 s ASN 54 CO -0.19 -0.54 -0.01 -1.83 -2.79 0.00 0.00 177.10 171.74 1sa0 s GLU 55 N 1.75 3.77 0.00 0.43 4.04 -1.26 -4.32 118.70 123.12 1sa0 s GLU 55 Ca 0.57 -0.46 0.00 0.00 0.04 0.00 0.00 54.97 55.12 1sa0 s GLU 55 Cb -0.27 -3.01 0.00 0.00 0.02 0.00 0.00 34.13 30.87 1sa0 s GLU 55 CO 0.25 0.25 0.00 0.00 -1.84 0.00 0.00 175.26 173.92 1sa0 n ALA 56 N 3.55 0.00 -1.44 -0.84 0.00 -1.25 -5.04 120.51 115.49 1sa0 n ALA 56 Ca -0.17 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.74 1sa0 n ALA 56 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1sa0 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa0 n ALA 57 N -3.00 -3.26 -0.94 0.00 0.00 -1.26 -4.57 120.51 107.48 1sa0 n ALA 57 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1sa0 n ALA 57 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1sa0 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa0 n GLY 58 N 1.72 4.12 0.01 0.00 0.00 -1.26 -3.75 105.19 106.03 1sa0 n GLY 58 Ca 0.19 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 1sa0 n GLY 58 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1sa0 h ASN 59 N 0.00 0.00 0.00 1.61 -0.73 -2.01 -3.50 115.58 110.95 1sa0 h ASN 59 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1sa0 h ASN 59 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1sa0 h ASN 59 CO 0.00 0.08 0.00 0.29 -0.37 0.00 0.00 177.43 177.43 1sa0 n LYS 60 N -2.46 0.00 -0.03 6.67 5.02 -1.25 -4.72 118.16 121.40 1sa0 n LYS 60 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1sa0 n LYS 60 Cb 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.98 1sa0 n LYS 60 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sa0 n TYR 61 N 0.00 0.00 -1.01 2.13 0.53 -1.25 -3.94 117.16 113.62 1sa0 n TYR 61 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1sa0 n TYR 61 Cb 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 39.34 38.03 1sa0 n TYR 61 CO 0.00 0.00 0.00 1.55 -1.02 0.00 0.00 176.86 177.39 1sa0 n VAL 62 N -2.15 -0.15 -1.61 -0.72 3.14 -1.26 -3.98 118.33 111.60 1sa0 n VAL 62 Ca -0.09 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.93 1sa0 n VAL 62 Cb 0.62 -0.79 0.08 0.00 -1.06 0.00 0.00 33.84 32.69 1sa0 n VAL 62 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1sa0 s PRO 63 N 0.00 2.36 -1.33 1.45 0.04 -1.26 -3.42 135.00 132.83 1sa0 s PRO 63 Ca 0.00 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 1sa0 s PRO 63 Cb 0.00 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.78 1sa0 s PRO 63 CO 0.00 -1.72 1.85 -2.13 0.04 0.00 0.00 177.00 175.04 1sa0 n ARG 64 N -2.24 3.14 -4.50 4.56 0.63 -1.19 -4.72 116.66 112.34 1sa0 n ARG 64 Ca 0.15 -3.16 -0.21 0.00 -0.92 0.00 0.00 57.85 53.71 1sa0 n ARG 64 Cb 0.49 -3.37 -0.15 0.00 0.45 0.00 0.00 32.46 29.87 1sa0 n ARG 64 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sa0 s ALA 65 N 3.52 0.97 -0.13 5.13 0.00 -1.26 -1.60 121.76 128.40 1sa0 s ALA 65 Ca 0.50 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 1sa0 s ALA 65 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1sa0 s ALA 65 CO 0.02 0.21 -0.07 0.42 0.00 0.00 0.00 175.76 176.35 1sa0 s ILE 66 N -0.13 3.63 -0.20 0.00 1.09 -0.43 -4.81 121.20 120.35 1sa0 s ILE 66 Ca 0.02 -0.47 -0.03 0.00 -1.10 0.00 0.00 60.65 59.07 1sa0 s ILE 66 Cb -0.06 -2.55 -0.01 0.00 -1.06 0.00 0.00 42.46 38.78 1sa0 s ILE 66 CO -0.00 0.53 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.54 1sa0 s LEU 67 N 0.05 2.81 0.02 2.97 1.43 -1.06 -1.10 118.68 123.80 1sa0 s LEU 67 Ca -0.01 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1sa0 s LEU 67 Cb -0.14 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1sa0 s LEU 67 CO 0.03 0.01 -0.16 -0.69 0.23 0.00 0.00 176.35 175.77 1sa0 s VAL 68 N 1.29 1.29 0.05 -1.59 1.01 -0.64 0.35 120.40 122.15 1sa0 s VAL 68 Ca 0.03 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 1sa0 s VAL 68 Cb -0.14 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.21 1sa0 s VAL 68 CO -0.03 0.19 0.99 -0.62 0.00 0.00 0.00 175.10 175.62 1sa0 s ASP 69 N -0.85 -0.24 -0.13 3.32 -1.08 -1.13 -0.94 116.67 115.63 1sa0 s ASP 69 Ca 0.05 -0.18 0.15 0.00 -0.52 0.00 0.00 52.55 52.04 1sa0 s ASP 69 Cb -0.07 0.39 0.48 0.00 -1.46 0.00 0.00 42.92 42.25 1sa0 s ASP 69 CO 0.01 -0.67 1.39 0.18 0.52 0.00 0.00 175.17 176.59 1sa0 n LEU 70 N -0.35 3.70 -3.66 -1.34 4.32 -1.26 -1.58 117.00 116.83 1sa0 n LEU 70 Ca -0.07 -2.70 -0.06 0.00 -0.02 0.00 0.00 56.01 53.16 1sa0 n LEU 70 Cb 0.61 -0.46 -0.07 0.00 -1.62 0.00 0.00 43.42 41.88 1sa0 n LEU 70 CO 0.12 0.69 0.21 -1.83 -1.22 0.00 0.00 177.39 175.36 1sa0 s GLU 71 N -2.26 0.55 0.03 3.23 -1.05 -1.26 -3.21 118.70 114.71 1sa0 s GLU 71 Ca 0.37 1.17 -0.07 0.00 -0.15 0.00 0.00 54.97 56.30 1sa0 s GLU 71 Cb 0.28 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.29 1sa0 s GLU 71 CO 0.12 -0.18 1.11 -1.35 0.95 0.00 0.00 175.26 175.90 1sa0 h PRO 72 N 7.50 -0.08 0.00 -4.83 0.11 -1.91 -3.35 132.00 129.43 1sa0 h PRO 72 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1sa0 h PRO 72 Cb 1.16 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sa0 h PRO 72 CO 0.16 -0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.31 1sa0 n GLY 73 N -1.08 0.00 0.46 -0.55 0.00 -1.26 -0.33 105.19 102.43 1sa0 n GLY 73 Ca -0.01 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.28 1sa0 n GLY 73 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sa0 h THR 74 N 0.00 0.54 0.01 2.61 1.35 -1.99 -1.03 112.91 114.39 1sa0 h THR 74 Ca 0.00 -0.05 -0.17 0.00 -0.55 0.00 0.00 66.41 65.64 1sa0 h THR 74 Cb 0.00 0.38 0.01 0.00 -1.73 0.00 0.00 68.15 66.81 1sa0 h THR 74 CO 0.00 0.03 -0.68 0.24 -0.25 0.00 0.00 175.52 174.86 1sa0 h MET 75 N 0.15 0.45 0.00 4.72 2.86 -0.92 -3.14 114.93 119.05 1sa0 h MET 75 Ca 0.50 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sa0 h MET 75 Cb 1.70 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1sa0 h MET 75 CO -0.09 1.14 0.00 -0.25 1.06 0.00 0.00 176.91 178.77 1sa0 n ASP 76 N -4.16 0.06 0.01 1.22 9.92 -0.49 -1.15 116.55 121.96 1sa0 n ASP 76 Ca -0.11 0.51 -0.16 0.00 -0.53 0.00 0.00 54.79 54.51 1sa0 n ASP 76 Cb 0.71 -0.53 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 1sa0 n ASP 76 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1sa0 h SER 77 N 0.00 0.83 0.09 -2.24 0.02 -1.25 -2.44 113.55 108.56 1sa0 h SER 77 Ca 0.00 -0.57 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1sa0 h SER 77 Cb 0.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1sa0 h SER 77 CO 0.00 1.36 -0.04 0.58 -1.14 0.00 0.00 176.83 177.59 1sa0 h VAL 78 N 0.46 1.11 -0.43 2.27 2.07 -1.13 -3.26 116.25 117.34 1sa0 h VAL 78 Ca -0.06 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.16 1sa0 h VAL 78 Cb 1.44 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 33.05 1sa0 h VAL 78 CO 0.16 0.31 -0.15 -0.09 0.02 0.00 0.00 177.57 177.82 1sa0 h ARG 79 N -0.82 -0.05 -2.44 1.57 2.43 -1.38 -0.27 114.38 113.42 1sa0 h ARG 79 Ca -0.01 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 58.41 1sa0 h ARG 79 Cb 0.59 0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 29.97 1sa0 h ARG 79 CO 0.02 -0.03 1.79 0.43 -1.51 0.00 0.00 179.97 180.67 1sa0 n SER 80 N -5.35 7.71 0.00 -3.80 7.64 -0.92 -4.17 113.62 114.73 1sa0 n SER 80 Ca 0.03 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1sa0 n SER 80 Cb 0.26 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1sa0 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sa0 n GLY 81 N 1.01 4.29 0.00 0.23 0.00 -0.11 -4.85 105.19 105.75 1sa0 n GLY 81 Ca 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1sa0 n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sa0 n PRO 82 N 0.00 0.00 -2.49 1.61 -0.04 -1.26 -4.31 135.00 128.51 1sa0 n PRO 82 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1sa0 n PRO 82 Cb 0.00 -0.65 0.01 0.00 -0.04 0.00 0.00 33.50 32.81 1sa0 n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sa0 n PHE 83 N -0.26 3.28 -0.31 0.54 0.99 -1.26 -4.84 117.46 115.59 1sa0 n PHE 83 Ca 0.00 -2.96 -0.02 0.00 -0.00 0.00 0.00 57.45 54.46 1sa0 n PHE 83 Cb 0.00 -0.78 0.10 0.00 -1.00 0.00 0.00 39.48 37.79 1sa0 n PHE 83 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1sa0 h GLY 84 N 3.25 1.22 2.00 1.37 0.00 -1.72 -2.43 103.07 106.76 1sa0 h GLY 84 Ca 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1sa0 h GLY 84 CO 1.09 0.39 0.00 1.46 0.00 0.00 0.00 176.54 179.48 1sa0 h GLN 85 N 1.11 0.00 -0.71 4.80 1.08 -1.77 -3.35 115.11 116.26 1sa0 h GLN 85 Ca 0.33 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.46 1sa0 h GLN 85 Cb -0.06 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1sa0 h GLN 85 CO -0.09 0.00 0.19 0.97 -0.95 0.00 0.00 178.83 178.94 1sa0 h ILE 86 N 0.00 1.26 -4.03 2.54 2.10 -0.86 -3.46 117.51 115.07 1sa0 h ILE 86 Ca 0.00 -0.95 -0.47 0.00 1.08 0.00 0.00 64.86 64.52 1sa0 h ILE 86 Cb 0.47 0.51 0.02 0.00 -1.09 0.00 0.00 36.82 36.73 1sa0 h ILE 86 CO 0.00 0.37 0.40 -0.36 -1.08 0.00 0.00 178.15 177.47 1sa0 s PHE 87 N -5.33 3.10 -0.09 2.19 0.08 -1.26 -4.35 117.98 112.33 1sa0 s PHE 87 Ca -0.12 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.24 1sa0 s PHE 87 Cb 0.15 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 1sa0 s PHE 87 CO 0.84 -0.74 1.48 0.50 -0.10 0.00 0.00 175.22 177.20 1sa0 s ARG 88 N -2.94 4.21 0.08 0.44 3.52 -1.26 -4.96 118.95 118.04 1sa0 s ARG 88 Ca 0.63 1.98 -0.15 0.00 -0.13 0.00 0.00 55.73 58.06 1sa0 s ARG 88 Cb -0.18 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 1sa0 s ARG 88 CO 0.23 -0.76 1.19 -2.30 -0.81 0.00 0.00 175.30 172.85 1sa0 n PRO 89 N 6.73 -0.21 0.00 5.12 -0.02 -1.26 -0.53 135.00 144.82 1sa0 n PRO 89 Ca 0.16 1.18 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 1sa0 n PRO 89 Cb 0.44 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1sa0 n PRO 89 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sa0 n ASP 90 N -4.08 2.57 -0.01 2.55 5.68 -1.26 -2.39 116.55 119.62 1sa0 n ASP 90 Ca 0.01 -1.89 0.11 0.00 -0.50 0.00 0.00 54.79 52.52 1sa0 n ASP 90 Cb 0.12 -0.47 -0.15 0.00 -1.14 0.00 0.00 41.12 39.49 1sa0 n ASP 90 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sa0 n ASN 91 N 0.46 0.36 -4.74 -1.12 4.13 0.31 -4.92 115.26 109.73 1sa0 n ASN 91 Ca 0.00 -0.34 -0.41 0.00 1.68 0.00 0.00 54.58 55.51 1sa0 n ASN 91 Cb 0.44 1.63 -0.04 0.00 -1.54 0.00 0.00 39.78 40.26 1sa0 n ASN 91 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1sa0 s PHE 92 N -3.34 3.68 -0.34 3.10 0.40 -1.00 -2.55 117.98 117.93 1sa0 s PHE 92 Ca -0.02 1.69 0.02 0.00 -0.60 0.00 0.00 56.93 58.02 1sa0 s PHE 92 Cb 0.15 -3.20 0.10 0.00 0.51 0.00 0.00 43.02 40.58 1sa0 s PHE 92 CO 0.89 -0.32 0.09 0.08 0.70 0.00 0.00 175.22 176.66 1sa0 s VAL 93 N -0.51 1.63 0.78 -0.44 1.01 0.15 -4.94 120.40 118.08 1sa0 s VAL 93 Ca 0.47 -1.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 1sa0 s VAL 93 Cb -0.28 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1sa0 s VAL 93 CO 0.35 -0.66 1.12 -0.36 0.00 0.00 0.00 175.10 175.55 1sa0 s PHE 94 N 1.12 2.29 -0.19 5.22 2.99 -1.26 -2.83 117.98 125.32 1sa0 s PHE 94 Ca 0.11 1.62 -0.06 0.00 0.00 0.00 0.00 56.93 58.60 1sa0 s PHE 94 Cb -0.19 -3.19 -0.09 0.00 0.00 0.00 0.00 43.02 39.54 1sa0 s PHE 94 CO -0.15 -2.12 -0.22 0.41 -0.00 0.00 0.00 175.22 173.15 1sa0 n GLY 95 N -0.54 -0.29 5.00 4.36 0.00 -0.61 -4.84 105.19 108.27 1sa0 n GLY 95 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sa0 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa0 n GLN 96 N -3.59 0.00 -0.69 1.61 -0.06 -1.20 -4.77 117.38 108.69 1sa0 n GLN 96 Ca -0.36 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.36 1sa0 n GLN 96 Cb 0.79 0.00 0.25 0.00 -4.06 0.00 0.00 30.24 27.22 1sa0 n GLN 96 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1sa0 n SER 97 N 3.59 -2.83 -4.60 1.69 3.41 -1.23 -4.76 113.62 108.90 1sa0 n SER 97 Ca 0.00 -1.02 -0.44 0.00 -0.26 0.00 0.00 58.87 57.15 1sa0 n SER 97 Cb 0.00 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 62.99 1sa0 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sa0 n GLY 98 N -4.81 -0.23 0.00 5.00 0.00 -1.26 -4.38 105.19 99.50 1sa0 n GLY 98 Ca 0.14 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sa0 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sa0 n ALA 99 N 0.10 0.00 0.00 4.61 0.00 -1.26 -4.87 120.51 119.09 1sa0 n ALA 99 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1sa0 n ALA 99 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1sa0 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa0 n GLY 100 N 0.60 0.25 2.68 0.00 0.00 -1.26 -4.60 105.19 102.85 1sa0 n GLY 100 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1sa0 n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sa0 n ASN 101 N 0.00 -5.69 -3.37 1.61 5.03 -1.26 -4.91 115.26 106.67 1sa0 n ASN 101 Ca 0.00 -0.16 -0.02 0.00 0.87 0.00 0.00 54.58 55.28 1sa0 n ASN 101 Cb 0.00 -4.61 -0.04 0.00 -1.02 0.00 0.00 39.78 34.11 1sa0 n ASN 101 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1sa0 s ASN 102 N -2.47 -0.84 0.13 6.41 3.84 -1.26 -4.64 114.94 116.12 1sa0 s ASN 102 Ca 0.16 0.91 -0.32 0.00 0.21 0.00 0.00 52.86 53.82 1sa0 s ASN 102 Cb -0.07 1.87 -0.09 0.00 -0.55 0.00 0.00 41.25 42.41 1sa0 s ASN 102 CO 0.20 -0.26 1.56 -0.25 -2.79 0.00 0.00 177.10 175.56 1sa0 h TRP 103 N 8.06 -1.58 -0.54 0.43 7.01 -1.86 -2.52 115.95 124.95 1sa0 h TRP 103 Ca -0.20 0.08 0.05 0.00 2.11 0.00 0.00 58.89 60.92 1sa0 h TRP 103 Cb 1.14 0.74 -0.07 0.00 -2.10 0.00 0.00 29.16 28.87 1sa0 h TRP 103 CO 0.14 -0.49 -0.32 0.00 -2.79 0.00 0.00 178.44 174.98 1sa0 n ALA 104 N -3.07 -0.35 -0.31 2.65 0.00 -1.26 0.29 120.51 118.47 1sa0 n ALA 104 Ca -0.03 0.46 0.15 0.00 0.00 0.00 0.00 53.44 54.02 1sa0 n ALA 104 Cb 0.35 0.01 0.32 0.00 0.00 0.00 0.00 19.45 20.13 1sa0 n ALA 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sa0 h LYS 105 N 0.00 0.21 0.00 0.00 1.57 -1.81 -0.33 116.57 116.21 1sa0 h LYS 105 Ca 0.09 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1sa0 h LYS 105 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1sa0 h LYS 105 CO -0.51 0.14 -0.55 0.78 -0.57 0.00 0.00 179.45 178.74 1sa0 h GLY 106 N 0.22 0.00 -1.90 3.86 0.00 -0.19 0.34 103.07 105.39 1sa0 h GLY 106 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1sa0 h GLY 106 CO -0.66 0.00 0.00 1.57 0.00 0.00 0.00 176.54 177.45 1sa0 n HIS 107 N -3.22 0.24 0.00 5.60 -0.00 -0.66 -2.42 115.22 114.76 1sa0 n HIS 107 Ca 0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1sa0 n HIS 107 Cb 0.74 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.73 1sa0 n HIS 107 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sa0 n TYR 108 N 1.25 0.00 0.00 1.57 4.02 -0.23 -4.76 117.16 119.02 1sa0 n TYR 108 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1sa0 n TYR 108 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1sa0 n TYR 108 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1sa0 n THR 109 N -0.50 0.00 0.30 -0.72 -2.24 -1.20 -1.65 114.28 108.27 1sa0 n THR 109 Ca 0.00 0.62 0.18 0.00 -2.27 0.00 0.00 64.05 62.58 1sa0 n THR 109 Cb 0.00 -1.44 0.92 0.00 -2.10 0.00 0.00 70.33 67.72 1sa0 n THR 109 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sa0 h GLU 110 N 0.00 0.00 0.00 -0.78 4.39 -1.31 -3.19 114.58 113.69 1sa0 h GLU 110 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sa0 h GLU 110 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sa0 h GLU 110 CO 0.00 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 1sa0 n GLY 111 N -0.70 -1.32 0.26 -3.84 0.00 0.99 -3.83 105.19 96.75 1sa0 n GLY 111 Ca -0.02 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.26 1sa0 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sa0 n ALA 112 N -1.12 0.82 -0.31 4.61 0.00 -0.66 0.43 120.51 124.29 1sa0 n ALA 112 Ca 0.00 0.78 0.10 0.00 0.00 0.00 0.00 53.44 54.31 1sa0 n ALA 112 Cb 0.00 -0.79 0.21 0.00 0.00 0.00 0.00 19.45 18.87 1sa0 n ALA 112 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sa0 h GLU 113 N 0.00 0.04 0.02 0.00 4.57 -1.65 -3.13 114.58 114.43 1sa0 h GLU 113 Ca 0.66 -0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.62 1sa0 h GLU 113 Cb 1.78 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.34 1sa0 h GLU 113 CO -0.57 0.03 -1.17 1.25 -1.18 0.00 0.00 179.01 177.37 1sa0 h LEU 114 N 0.04 0.06 0.00 1.64 5.85 -0.16 -3.43 115.31 119.31 1sa0 h LEU 114 Ca 0.51 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1sa0 h LEU 114 Cb 0.95 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1sa0 h LEU 114 CO -0.85 1.47 0.00 0.52 -0.34 0.00 0.00 178.44 179.24 1sa0 n VAL 115 N -4.36 0.00 -0.21 1.05 0.31 -1.15 -0.00 118.33 113.97 1sa0 n VAL 115 Ca -0.29 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.05 1sa0 n VAL 115 Cb 0.70 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.75 1sa0 n VAL 115 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1sa0 h ASP 116 N 0.00 0.18 0.53 4.52 3.45 -1.84 0.58 116.42 123.85 1sa0 h ASP 116 Ca 0.00 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1sa0 h ASP 116 Cb 0.00 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1sa0 h ASP 116 CO 0.00 0.10 -0.03 0.28 -1.57 0.00 0.00 179.24 178.02 1sa0 h SER 117 N 0.38 0.00 0.00 6.45 0.02 -0.74 0.32 113.55 119.98 1sa0 h SER 117 Ca 0.33 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1sa0 h SER 117 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1sa0 h SER 117 CO -0.35 0.03 -0.70 0.52 -1.14 0.00 0.00 176.83 175.19 1sa0 n VAL 118 N -3.20 1.44 -0.34 2.27 0.31 -0.48 -4.01 118.33 114.33 1sa0 n VAL 118 Ca -0.01 0.16 0.26 0.00 -0.01 0.00 0.00 64.34 64.74 1sa0 n VAL 118 Cb 0.21 -2.31 0.51 0.00 -0.91 0.00 0.00 33.84 31.34 1sa0 n VAL 118 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1sa0 h LEU 119 N -1.00 0.46 -1.29 7.52 5.85 0.26 1.01 115.31 128.12 1sa0 h LEU 119 Ca -0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1sa0 h LEU 119 Cb 0.70 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1sa0 h LEU 119 CO -0.05 -0.20 0.00 -0.90 -0.34 0.00 0.00 178.44 176.95 1sa0 n ASP 120 N -5.06 1.80 -0.01 1.25 5.75 0.11 -1.23 116.55 119.16 1sa0 n ASP 120 Ca 0.33 -2.14 -0.01 0.00 -0.01 0.00 0.00 54.79 52.96 1sa0 n ASP 120 Cb 1.07 -0.36 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 1sa0 n ASP 120 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1sa0 n VAL 121 N 0.16 0.15 0.08 2.12 0.31 0.34 -4.14 118.33 117.34 1sa0 n VAL 121 Ca 0.08 -0.10 -0.06 0.00 -0.01 0.00 0.00 64.34 64.25 1sa0 n VAL 121 Cb 0.36 -0.80 0.10 0.00 -0.91 0.00 0.00 33.84 32.60 1sa0 n VAL 121 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1sa0 h VAL 122 N 0.00 1.39 -0.36 2.52 -1.51 -1.05 -2.75 116.25 114.49 1sa0 h VAL 122 Ca -0.06 -2.03 -0.03 0.00 -1.23 0.00 0.00 66.70 63.35 1sa0 h VAL 122 Cb 1.04 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 32.22 1sa0 h VAL 122 CO 0.00 0.60 0.11 -0.09 -1.23 0.00 0.00 177.57 176.96 1sa0 h ARG 123 N 0.18 0.52 0.00 5.19 2.43 -1.37 0.15 114.38 121.49 1sa0 h ARG 123 Ca -0.01 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 1sa0 h ARG 123 Cb 1.15 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 1sa0 h ARG 123 CO 0.10 0.46 -0.95 0.87 -1.51 0.00 0.00 179.97 178.94 1sa0 h LYS 124 N 0.51 0.00 -0.08 0.20 1.57 -1.68 -2.51 116.57 114.59 1sa0 h LYS 124 Ca 0.12 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.68 1sa0 h LYS 124 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sa0 h LYS 124 CO -0.01 0.89 -0.84 0.93 -0.57 0.00 0.00 179.45 179.85 1sa0 h GLU 125 N 0.00 0.70 0.49 3.15 4.39 -1.17 -2.89 114.58 119.25 1sa0 h GLU 125 Ca -0.02 -0.66 -0.02 0.00 0.34 0.00 0.00 59.36 59.00 1sa0 h GLU 125 Cb 1.71 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1sa0 h GLU 125 CO 0.12 1.25 -0.24 0.77 -1.16 0.00 0.00 179.01 179.75 1sa0 h SER 126 N 0.39 -0.56 0.23 1.42 0.02 -1.04 -2.44 113.55 111.57 1sa0 h SER 126 Ca -0.08 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1sa0 h SER 126 Cb 1.49 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1sa0 h SER 126 CO 0.17 -0.20 0.00 -0.62 -1.14 0.00 0.00 176.83 175.04 1sa0 n GLU 127 N -5.26 0.13 0.12 3.45 1.02 -0.95 -0.94 120.64 118.21 1sa0 n GLU 127 Ca -0.11 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.39 1sa0 n GLU 127 Cb 0.31 -1.86 -0.15 0.00 -0.02 0.00 0.00 31.44 29.73 1sa0 n GLU 127 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1sa0 h SER 128 N 0.00 0.56 -2.06 1.62 0.87 -1.27 -3.46 113.55 109.81 1sa0 h SER 128 Ca 0.00 -0.61 -0.64 0.00 -1.23 0.00 0.00 61.79 59.31 1sa0 h SER 128 Cb 0.12 -0.18 0.08 0.00 -0.44 0.00 0.00 62.40 61.98 1sa0 h SER 128 CO 0.00 1.48 0.26 0.00 -0.53 0.00 0.00 176.83 178.05 1sa0 h ASP 130 N 3.19 0.62 -1.87 0.00 3.58 -1.89 -3.40 116.42 116.65 1sa0 h ASP 130 Ca -0.43 -0.32 -0.32 0.00 0.42 0.00 0.00 57.03 56.39 1sa0 h ASP 130 Cb 1.34 -0.17 -0.30 0.00 1.72 0.00 0.00 39.33 41.92 1sa0 h ASP 130 CO 0.69 0.79 -0.65 0.00 -2.88 0.00 0.00 179.24 177.18 1sa0 s LEU 132 N 1.64 4.39 -0.08 0.00 2.96 -1.26 -3.74 118.68 122.59 1sa0 s LEU 132 Ca 0.15 2.67 -0.08 0.00 -0.22 0.00 0.00 54.13 56.65 1sa0 s LEU 132 Cb -0.14 -3.57 -0.28 0.00 0.50 0.00 0.00 46.19 42.70 1sa0 s LEU 132 CO -0.09 -0.96 0.54 -0.61 -1.32 0.00 0.00 176.35 173.91 1sa0 h GLN 133 N 8.43 0.33 0.00 1.98 4.15 0.06 -3.47 115.11 126.58 1sa0 h GLN 133 Ca -0.45 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.42 1sa0 h GLN 133 Cb 1.21 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1sa0 h GLN 133 CO 0.94 1.25 0.00 0.41 -1.93 0.00 0.00 178.83 179.50 1sa0 n GLY 134 N 1.91 -0.13 3.58 2.39 0.00 -1.25 -3.62 105.19 108.07 1sa0 n GLY 134 Ca -0.27 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1sa0 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sa0 s PHE 135 N -1.70 2.79 -0.06 1.61 0.40 -0.94 -2.39 117.98 117.70 1sa0 s PHE 135 Ca 0.00 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 1sa0 s PHE 135 Cb 0.00 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1sa0 s PHE 135 CO 0.00 0.39 -0.15 1.14 0.70 0.00 0.00 175.22 177.30 1sa0 s GLN 136 N -1.88 1.81 0.03 0.44 -2.07 -0.96 -0.45 119.66 116.58 1sa0 s GLN 136 Ca 0.20 -0.53 0.07 0.00 -1.82 0.00 0.00 55.36 53.27 1sa0 s GLN 136 Cb -0.11 -1.51 -0.02 0.00 -1.09 0.00 0.00 33.01 30.27 1sa0 s GLN 136 CO 0.11 0.14 -0.20 -1.17 -1.32 0.00 0.00 175.29 172.85 1sa0 s LEU 137 N 0.33 2.13 -0.06 2.60 2.96 0.24 -1.24 118.68 125.65 1sa0 s LEU 137 Ca -0.10 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1sa0 s LEU 137 Cb -0.14 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1sa0 s LEU 137 CO 0.03 0.18 -0.19 0.42 -1.32 0.00 0.00 176.35 175.47 1sa0 s THR 138 N -0.72 2.59 -0.05 3.68 -4.23 -1.08 -1.71 115.64 114.12 1sa0 s THR 138 Ca 0.07 -0.88 -0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1sa0 s THR 138 Cb -0.08 -1.99 0.12 0.00 1.34 0.00 0.00 72.50 71.89 1sa0 s THR 138 CO 0.01 0.57 1.26 -1.38 -0.54 0.00 0.00 174.62 174.55 1sa0 s HIS 139 N -0.40 -0.06 0.07 3.99 -3.43 -1.16 -2.29 115.29 112.01 1sa0 s HIS 139 Ca 0.04 -0.03 0.01 0.00 -0.80 0.00 0.00 55.06 54.27 1sa0 s HIS 139 Cb -0.12 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.53 1sa0 s HIS 139 CO 0.02 -0.27 0.19 -1.54 -2.00 0.00 0.00 174.74 171.14 1sa0 s SER 140 N -2.79 6.21 0.23 7.38 1.04 -1.26 -2.47 113.70 122.03 1sa0 s SER 140 Ca 0.13 0.21 0.23 0.00 0.48 0.00 0.00 55.95 57.00 1sa0 s SER 140 Cb 0.03 -1.87 0.08 0.00 0.10 0.00 0.00 66.02 64.36 1sa0 s SER 140 CO -0.04 0.16 1.15 -0.07 0.98 0.00 0.00 173.24 175.42 1sa0 h LEU 141 N 3.06 0.00-10.50 2.42 4.07 -1.73 -3.17 115.31 109.46 1sa0 h LEU 141 Ca -0.45 -0.02 -0.44 0.00 0.08 0.00 0.00 57.88 57.04 1sa0 h LEU 141 Cb 1.16 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.95 1sa0 h LEU 141 CO 0.74 0.01 -0.01 -0.83 -1.08 0.00 0.00 178.44 177.27 1sa0 s GLY 142 N -4.27 1.80 0.11 0.83 0.00 -1.26 -2.22 107.32 102.31 1sa0 s GLY 142 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1sa0 s GLY 142 CO 0.77 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 173.49 1sa0 n GLY 143 N -2.38 -1.52 0.00 0.20 0.00 -1.26 -4.64 105.19 95.59 1sa0 n GLY 143 Ca 0.08 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1sa0 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa0 n GLY 144 N -1.51 0.00 0.00 -0.02 0.00 -1.26 -4.43 105.19 97.97 1sa0 n GLY 144 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1sa0 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sa0 n THR 145 N -0.57 0.00 -0.02 2.61 -2.24 -1.26 -1.00 114.28 111.80 1sa0 n THR 145 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sa0 n THR 145 Cb 0.05 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1sa0 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sa0 n GLY 146 N -0.16 0.03 0.10 3.38 0.00 -1.26 -3.94 105.19 103.34 1sa0 n GLY 146 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1sa0 n GLY 146 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sa0 n SER 147 N 0.00 0.75 -0.09 1.61 2.88 -1.15 -2.26 113.62 115.35 1sa0 n SER 147 Ca 0.00 0.29 -0.13 0.00 -1.33 0.00 0.00 58.87 57.71 1sa0 n SER 147 Cb 0.00 0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 64.00 1sa0 n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sa0 n GLY 148 N 1.20 -0.25 0.17 0.46 0.00 -0.17 -3.63 105.19 102.97 1sa0 n GLY 148 Ca -0.01 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1sa0 n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sa0 h MET 149 N -0.02 0.55 0.32 1.61 1.85 -1.37 -2.89 114.93 114.98 1sa0 h MET 149 Ca -0.40 -0.65 -0.00 0.00 -0.61 0.00 0.00 59.70 58.03 1sa0 h MET 149 Cb 1.61 0.20 -0.03 0.00 0.43 0.00 0.00 31.60 33.81 1sa0 h MET 149 CO -0.07 1.26 -0.44 0.78 -0.40 0.00 0.00 176.91 178.04 1sa0 h GLY 150 N 0.13 -1.18 1.14 1.39 0.00 -1.68 1.17 103.07 104.03 1sa0 h GLY 150 Ca -0.13 0.58 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1sa0 h GLY 150 CO 0.18 -0.34 0.37 -0.91 0.00 0.00 0.00 176.54 175.84 1sa0 h THR 151 N -0.79 0.23 0.02 4.70 1.35 -1.69 0.27 112.91 117.00 1sa0 h THR 151 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1sa0 h THR 151 Cb 0.71 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1sa0 h THR 151 CO -0.12 0.00 -0.01 0.25 -0.25 0.00 0.00 175.52 175.39 1sa0 h LEU 152 N 0.00 -0.02 -0.80 3.87 5.85 -0.87 -2.87 115.31 120.47 1sa0 h LEU 152 Ca 0.10 -0.58 0.18 0.00 0.84 0.00 0.00 57.88 58.43 1sa0 h LEU 152 Cb 0.84 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.74 1sa0 h LEU 152 CO -0.00 0.75 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.72 1sa0 h LEU 153 N -0.98 -0.49 -0.67 2.25 3.38 0.32 0.47 115.31 119.60 1sa0 h LEU 153 Ca -0.00 0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1sa0 h LEU 153 Cb 0.60 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1sa0 h LEU 153 CO 0.00 -0.23 -0.28 0.16 0.09 0.00 0.00 178.44 178.19 1sa0 h ILE 154 N 0.06 1.28 0.00 1.22 3.07 -1.29 -0.51 117.51 121.33 1sa0 h ILE 154 Ca 0.43 -1.40 -0.00 0.00 1.55 0.00 0.00 64.86 65.43 1sa0 h ILE 154 Cb 0.74 1.30 -0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1sa0 h ILE 154 CO -0.75 0.46 -0.01 -1.28 -1.05 0.00 0.00 178.15 175.52 1sa0 h SER 155 N 0.63 0.00 0.00 2.16 0.87 -0.71 -0.46 113.55 116.04 1sa0 h SER 155 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1sa0 h SER 155 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1sa0 h SER 155 CO 0.07 0.01 -1.35 0.29 -0.53 0.00 0.00 176.83 175.32 1sa0 n LYS 156 N -3.19 0.26 -0.05 2.24 5.02 -0.55 -4.27 118.16 117.61 1sa0 n LYS 156 Ca -0.02 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.08 1sa0 n LYS 156 Cb 0.14 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 1sa0 n LYS 156 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sa0 h ILE 157 N 0.00 1.49 -3.85 -0.18 1.08 0.48 -3.32 117.51 113.21 1sa0 h ILE 157 Ca 0.00 -1.93 -0.53 0.00 -0.39 0.00 0.00 64.86 62.01 1sa0 h ILE 157 Cb 0.67 2.73 0.07 0.00 -3.07 0.00 0.00 36.82 37.23 1sa0 h ILE 157 CO 0.00 0.47 0.68 -0.13 -0.69 0.00 0.00 178.15 178.48 1sa0 s ARG 158 N -2.60 4.29 0.00 2.37 1.81 -0.82 0.26 118.95 124.27 1sa0 s ARG 158 Ca -0.16 2.30 0.00 0.00 -1.72 0.00 0.00 55.73 56.15 1sa0 s ARG 158 Cb -0.02 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 1sa0 s ARG 158 CO 0.61 -0.29 0.00 -1.91 -0.68 0.00 0.00 175.30 173.03 1sa0 n GLU 159 N 0.87 0.00 0.01 3.54 2.13 -1.26 -4.64 120.64 121.28 1sa0 n GLU 159 Ca 0.01 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.94 1sa0 n GLU 159 Cb 0.41 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.04 1sa0 n GLU 159 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1sa0 n GLU 160 N 0.00 0.32 -2.97 5.31 2.13 -0.25 -4.64 120.64 120.54 1sa0 n GLU 160 Ca 0.00 -0.06 -0.14 0.00 0.66 0.00 0.00 57.16 57.62 1sa0 n GLU 160 Cb 0.00 -1.55 0.02 0.00 0.27 0.00 0.00 31.44 30.19 1sa0 n GLU 160 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1sa0 n TYR 161 N -1.92 -1.35 -0.15 4.31 4.02 0.14 -4.95 117.16 117.25 1sa0 n TYR 161 Ca 0.01 -2.97 -0.08 0.00 -0.01 0.00 0.00 57.90 54.85 1sa0 n TYR 161 Cb 0.45 0.56 0.01 0.00 -0.02 0.00 0.00 39.34 40.34 1sa0 n TYR 161 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1sa0 h PRO 162 N 3.14 0.60 0.00 -0.72 0.11 -1.82 -3.22 132.00 130.09 1sa0 h PRO 162 Ca -0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1sa0 h PRO 162 Cb 1.02 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1sa0 h PRO 162 CO 0.33 0.43 0.00 -3.47 -0.21 0.00 0.00 178.00 175.08 1sa0 n ASP 163 N -4.75 0.00 -4.80 -2.05 4.64 -1.26 -4.71 116.55 103.62 1sa0 n ASP 163 Ca 0.01 0.10 -0.29 0.00 -1.38 0.00 0.00 54.79 53.23 1sa0 n ASP 163 Cb 0.04 -0.01 0.11 0.00 -1.04 0.00 0.00 41.12 40.22 1sa0 n ASP 163 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1sa0 s ARG 164 N -1.22 1.62 0.09 -0.67 1.81 -1.22 -5.07 118.95 114.29 1sa0 s ARG 164 Ca 0.00 0.43 0.02 0.00 -1.72 0.00 0.00 55.73 54.46 1sa0 s ARG 164 Cb 0.00 -1.88 -0.04 0.00 -0.45 0.00 0.00 34.95 32.58 1sa0 s ARG 164 CO 0.00 -1.90 0.16 0.96 -0.68 0.00 0.00 175.30 173.84 1sa0 s ILE 165 N -3.24 4.91 -0.32 1.52 -4.36 -1.24 -4.99 121.20 113.47 1sa0 s ILE 165 Ca 0.62 -0.68 -0.12 0.00 -0.26 0.00 0.00 60.65 60.22 1sa0 s ILE 165 Cb -0.14 -3.42 -0.02 0.00 1.25 0.00 0.00 42.46 40.13 1sa0 s ILE 165 CO 0.53 0.07 0.22 -0.04 0.24 0.00 0.00 174.94 175.96 1sa0 s MET 166 N -2.63 3.56 -0.07 0.37 -1.94 -1.26 -2.20 119.30 115.12 1sa0 s MET 166 Ca 0.32 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 1sa0 s MET 166 Cb -0.12 -3.74 -0.01 0.00 2.01 0.00 0.00 34.83 32.97 1sa0 s MET 166 CO 0.25 -0.39 -0.24 1.21 -0.01 0.00 0.00 175.02 175.84 1sa0 s ASN 167 N 1.71 3.16 0.02 3.03 2.47 0.40 -1.96 114.94 123.77 1sa0 s ASN 167 Ca 0.06 -0.50 -0.00 0.00 0.42 0.00 0.00 52.86 52.84 1sa0 s ASN 167 Cb -0.17 -0.97 -0.02 0.00 -1.45 0.00 0.00 41.25 38.64 1sa0 s ASN 167 CO 0.10 0.23 -0.02 0.42 -3.72 0.00 0.00 177.10 174.11 1sa0 s THR 168 N -0.09 0.12 -0.28 -5.21 -4.23 -1.00 -0.59 115.64 104.36 1sa0 s THR 168 Ca -0.06 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1sa0 s THR 168 Cb -0.14 -0.41 0.05 0.00 1.34 0.00 0.00 72.50 73.33 1sa0 s THR 168 CO 0.04 -0.55 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.17 1sa0 s PHE 169 N -1.74 3.23 -0.19 3.99 0.40 -0.69 -0.77 117.98 122.21 1sa0 s PHE 169 Ca -0.13 -1.94 0.01 0.00 -0.60 0.00 0.00 56.93 54.27 1sa0 s PHE 169 Cb -0.08 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.42 1sa0 s PHE 169 CO -0.02 -0.81 -0.18 -1.12 0.70 0.00 0.00 175.22 173.78 1sa0 s SER 170 N 1.23 3.27 -0.55 1.36 0.01 -0.80 -2.97 113.70 115.25 1sa0 s SER 170 Ca -0.05 -0.66 -0.28 0.00 1.31 0.00 0.00 55.95 56.26 1sa0 s SER 170 Cb -0.19 -1.50 0.03 0.00 0.21 0.00 0.00 66.02 64.56 1sa0 s SER 170 CO -0.03 -0.01 1.19 0.68 0.41 0.00 0.00 173.24 175.49 1sa0 s VAL 171 N 1.30 4.05 0.05 3.43 -7.23 -1.03 -1.96 120.40 119.00 1sa0 s VAL 171 Ca 0.05 0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 60.89 1sa0 s VAL 171 Cb -0.13 -4.68 -0.04 0.00 0.56 0.00 0.00 36.38 32.08 1sa0 s VAL 171 CO -0.12 -1.25 0.94 -0.69 -0.31 0.00 0.00 175.10 173.67 1sa0 s VAL 172 N 4.90 4.71 0.55 1.32 1.01 -0.01 -1.95 120.40 130.93 1sa0 s VAL 172 Ca 0.45 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 64.41 1sa0 s VAL 172 Cb -0.08 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1sa0 s VAL 172 CO 0.27 0.25 0.80 -2.16 0.00 0.00 0.00 175.10 174.26 1sa0 s PRO 173 N 0.48 2.71 0.28 2.72 0.04 -1.26 -1.53 135.00 138.45 1sa0 s PRO 173 Ca 0.48 -0.49 0.02 0.00 0.04 0.00 0.00 61.00 61.05 1sa0 s PRO 173 Cb -0.22 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1sa0 s PRO 173 CO 0.28 -0.65 0.09 -1.54 0.04 0.00 0.00 177.00 175.22 1sa0 s SER 174 N -4.36 1.52 0.30 6.66 1.04 -1.26 -4.85 113.70 112.76 1sa0 s SER 174 Ca 0.54 -1.40 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1sa0 s SER 174 Cb -0.10 0.12 0.47 0.00 0.10 0.00 0.00 66.02 66.61 1sa0 s SER 174 CO 0.40 -0.71 1.72 -0.65 0.98 0.00 0.00 173.24 174.98 1sa0 h PRO 175 N 2.30 0.27 -5.87 4.02 0.11 -1.99 -3.40 132.00 127.43 1sa0 h PRO 175 Ca -0.39 -0.12 -0.63 0.00 0.11 0.00 0.00 66.00 64.97 1sa0 h PRO 175 Cb 1.25 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1sa0 h PRO 175 CO 0.63 0.61 -0.32 -1.59 -0.21 0.00 0.00 178.00 177.11 1sa0 s LYS 176 N -4.23 3.71 -0.74 1.05 -2.85 -1.26 -4.53 119.74 110.90 1sa0 s LYS 176 Ca -0.05 0.16 -0.00 0.00 -1.00 0.00 0.00 55.97 55.08 1sa0 s LYS 176 Cb 0.14 -3.19 -0.00 0.00 -2.06 0.00 0.00 37.83 32.72 1sa0 s LYS 176 CO 0.77 0.71 0.70 0.28 0.10 0.00 0.00 175.35 177.91 1sa0 n VAL 177 N 1.77 -9.96 -3.74 1.79 0.31 -1.26 -4.80 118.33 102.44 1sa0 n VAL 177 Ca -0.16 -0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 63.76 1sa0 n VAL 177 Cb 0.53 -6.85 -0.10 0.00 -0.91 0.00 0.00 33.84 26.51 1sa0 n VAL 177 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sa0 s SER 178 N -3.00 -0.36 0.02 4.52 1.04 -1.26 -4.69 113.70 109.97 1sa0 s SER 178 Ca 0.02 0.60 0.22 0.00 0.48 0.00 0.00 55.95 57.27 1sa0 s SER 178 Cb -0.00 0.66 -0.26 0.00 0.10 0.00 0.00 66.02 66.52 1sa0 s SER 178 CO 0.73 -0.24 0.61 0.47 0.98 0.00 0.00 173.24 175.80 1sa0 n ASP 179 N 2.37 0.20 -4.19 7.02 8.00 -1.26 -5.00 116.55 123.69 1sa0 n ASP 179 Ca -0.16 0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.15 1sa0 n ASP 179 Cb 0.57 1.64 -0.14 0.00 -0.02 0.00 0.00 41.12 43.17 1sa0 n ASP 179 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sa0 s THR 180 N -3.47 1.40 0.29 -3.53 2.01 -1.26 -5.03 115.64 106.05 1sa0 s THR 180 Ca -0.06 -1.03 0.14 0.00 0.31 0.00 0.00 61.69 61.05 1sa0 s THR 180 Cb 0.13 -1.23 0.08 0.00 0.01 0.00 0.00 72.50 71.49 1sa0 s THR 180 CO 0.88 0.17 1.75 0.58 -0.69 0.00 0.00 174.62 177.31 1sa0 h VAL 181 N 4.48 1.18 0.00 3.82 2.07 -1.98 -3.26 116.25 122.56 1sa0 h VAL 181 Ca -0.40 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1sa0 h VAL 181 Cb 1.17 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1sa0 h VAL 181 CO 0.45 0.43 0.00 -0.37 0.02 0.00 0.00 177.57 178.10 1sa0 h VAL 182 N 0.00 0.00 -0.52 2.57 -1.51 -1.95 -3.41 116.25 111.43 1sa0 h VAL 182 Ca -0.00 -0.55 0.08 0.00 -1.23 0.00 0.00 66.70 65.00 1sa0 h VAL 182 Cb 0.84 1.51 -0.09 0.00 -2.13 0.00 0.00 31.29 31.43 1sa0 h VAL 182 CO 0.06 0.00 -0.19 -0.62 -1.23 0.00 0.00 177.57 175.59 1sa0 n GLU 183 N -2.45 -0.11 -0.36 5.19 1.02 -1.23 0.12 120.64 122.82 1sa0 n GLU 183 Ca 0.05 0.80 0.29 0.00 -0.02 0.00 0.00 57.16 58.27 1sa0 n GLU 183 Cb 0.42 -1.19 0.58 0.00 -0.02 0.00 0.00 31.44 31.23 1sa0 n GLU 183 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1sa0 h PRO 184 N 0.00 0.25 0.07 3.49 0.13 -1.90 0.59 132.00 134.62 1sa0 h PRO 184 Ca 0.19 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1sa0 h PRO 184 Cb 0.32 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1sa0 h PRO 184 CO -0.52 0.16 -0.03 1.88 -0.23 0.00 0.00 178.00 179.26 1sa0 h TYR 185 N 0.25 -0.08 -0.72 1.56 0.99 0.61 -2.13 116.97 117.45 1sa0 h TYR 185 Ca 0.66 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.42 1sa0 h TYR 185 Cb 1.93 0.03 -0.04 0.00 1.00 0.00 0.00 36.73 39.64 1sa0 h TYR 185 CO -0.00 0.44 0.45 -0.91 -0.00 0.00 0.00 178.16 178.14 1sa0 h ASN 186 N -0.68 0.74 0.46 3.88 2.35 -1.21 -2.11 115.58 119.02 1sa0 h ASN 186 Ca -0.01 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1sa0 h ASN 186 Cb 0.56 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1sa0 h ASN 186 CO 0.01 0.51 -0.22 0.00 -1.65 0.00 0.00 177.43 176.09 1sa0 h ALA 187 N 1.31 -0.62 -0.94 -0.83 0.00 0.62 -2.88 119.26 115.92 1sa0 h ALA 187 Ca 0.29 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1sa0 h ALA 187 Cb 0.02 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1sa0 h ALA 187 CO -0.11 -0.73 0.56 1.15 0.00 0.00 0.00 179.25 180.12 1sa0 h THR 188 N -0.85 0.86 0.00 0.00 2.02 -1.37 -0.23 112.91 113.34 1sa0 h THR 188 Ca -0.06 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1sa0 h THR 188 Cb 0.57 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1sa0 h THR 188 CO 0.10 0.16 -0.07 -0.07 0.37 0.00 0.00 175.52 176.01 1sa0 h LEU 189 N 0.86 0.00 0.03 2.58 3.38 -1.27 -2.99 115.31 117.89 1sa0 h LEU 189 Ca 0.48 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.12 1sa0 h LEU 189 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1sa0 h LEU 189 CO -0.29 0.07 -1.84 -1.20 0.09 0.00 0.00 178.44 175.27 1sa0 n SER 190 N -3.89 1.95 -0.33 -0.43 7.64 -0.47 -3.89 113.62 114.20 1sa0 n SER 190 Ca -0.02 0.31 0.08 0.00 1.01 0.00 0.00 58.87 60.24 1sa0 n SER 190 Cb 0.17 -0.86 0.18 0.00 -1.01 0.00 0.00 64.21 62.69 1sa0 n SER 190 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sa0 h VAL 191 N -0.69 0.08 -0.12 0.44 2.07 -1.00 1.13 116.25 118.16 1sa0 h VAL 191 Ca -0.47 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1sa0 h VAL 191 Cb 1.59 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1sa0 h VAL 191 CO -0.19 0.00 -0.13 -0.74 0.02 0.00 0.00 177.57 176.53 1sa0 h HIS 192 N 0.01 -0.32 -0.21 1.57 6.17 -1.71 -0.33 115.15 120.33 1sa0 h HIS 192 Ca 0.49 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.61 1sa0 h HIS 192 Cb 0.85 0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.93 1sa0 h HIS 192 CO -0.62 -0.19 0.08 0.37 0.71 0.00 0.00 177.93 178.28 1sa0 h GLN 193 N -0.16 0.18 -0.14 5.26 5.75 0.95 -2.92 115.11 124.03 1sa0 h GLN 193 Ca 0.09 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1sa0 h GLN 193 Cb 0.28 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1sa0 h GLN 193 CO -0.21 0.12 -0.12 -0.07 -2.65 0.00 0.00 178.83 175.90 1sa0 h LEU 194 N 0.19 -0.38 -0.96 -2.39 3.38 0.35 -1.07 115.31 114.42 1sa0 h LEU 194 Ca 0.09 0.08 0.31 0.00 0.09 0.00 0.00 57.88 58.44 1sa0 h LEU 194 Cb 0.04 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 40.82 1sa0 h LEU 194 CO -0.08 -0.16 0.33 0.58 0.09 0.00 0.00 178.44 179.20 1sa0 h VAL 195 N -0.14 0.16 0.17 1.22 2.07 -0.89 -2.72 116.25 116.12 1sa0 h VAL 195 Ca 0.09 -0.04 -0.28 0.00 0.82 0.00 0.00 66.70 67.28 1sa0 h VAL 195 Cb 0.27 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1sa0 h VAL 195 CO -0.22 0.02 -1.34 -0.33 0.02 0.00 0.00 177.57 175.72 1sa0 h GLU 196 N 0.13 0.36 -0.31 1.57 4.39 -1.10 -3.40 114.58 116.22 1sa0 h GLU 196 Ca 0.68 -0.61 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1sa0 h GLU 196 Cb 1.55 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 30.36 1sa0 h GLU 196 CO -0.74 1.29 -0.03 0.09 -1.16 0.00 0.00 179.01 178.46 1sa0 n ASN 197 N -3.87 3.03 -4.18 1.42 3.02 -0.94 -5.02 115.26 108.72 1sa0 n ASN 197 Ca -0.20 -3.45 -0.16 0.00 -0.03 0.00 0.00 54.58 50.74 1sa0 n ASN 197 Cb 0.96 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 1sa0 n ASN 197 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sa0 s THR 198 N -3.07 1.06 -0.14 3.41 -4.23 -1.05 -4.79 115.64 106.83 1sa0 s THR 198 Ca 0.43 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 1sa0 s THR 198 Cb 0.38 -1.28 -0.24 0.00 1.34 0.00 0.00 72.50 72.69 1sa0 s THR 198 CO 0.04 -0.42 0.29 0.47 -0.54 0.00 0.00 174.62 174.45 1sa0 n ASP 199 N 0.80 2.08 -3.84 3.99 9.92 -0.83 -4.57 116.55 124.10 1sa0 n ASP 199 Ca -0.18 0.21 -0.13 0.00 -0.53 0.00 0.00 54.79 54.17 1sa0 n ASP 199 Cb 0.56 -0.84 -0.14 0.00 -0.64 0.00 0.00 41.12 40.06 1sa0 n ASP 199 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1sa0 s GLU 200 N -2.53 0.05 -0.05 -1.24 8.01 -1.17 -4.68 118.70 117.09 1sa0 s GLU 200 Ca -0.25 0.11 0.01 0.00 0.01 0.00 0.00 54.97 54.85 1sa0 s GLU 200 Cb 0.07 -0.02 0.02 0.00 -4.31 0.00 0.00 34.13 29.89 1sa0 s GLU 200 CO 0.73 -0.04 -0.05 0.99 0.01 0.00 0.00 175.26 176.90 1sa0 s THR 201 N 0.23 0.62 -0.05 3.63 2.01 -1.26 -2.37 115.64 118.45 1sa0 s THR 201 Ca -0.02 -0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 1sa0 s THR 201 Cb -0.03 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1sa0 s THR 201 CO -0.01 0.25 0.52 -0.31 -0.69 0.00 0.00 174.62 174.38 1sa0 s TYR 202 N 1.05 3.62 -0.23 4.92 1.51 0.05 -1.64 117.35 126.62 1sa0 s TYR 202 Ca -0.09 1.04 -0.08 0.00 -1.01 0.00 0.00 57.07 56.93 1sa0 s TYR 202 Cb -0.14 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.13 1sa0 s TYR 202 CO -0.01 0.31 0.10 0.00 -1.11 0.00 0.00 175.55 174.84 1sa0 s ILE 204 N 1.22 3.19 0.07 0.00 1.09 -0.83 -4.39 121.20 121.55 1sa0 s ILE 204 Ca 0.05 -1.70 -0.27 0.00 -1.10 0.00 0.00 60.65 57.63 1sa0 s ILE 204 Cb -0.14 -3.01 -0.06 0.00 -1.06 0.00 0.00 42.46 38.19 1sa0 s ILE 204 CO 0.04 -0.40 0.86 -0.62 -0.10 0.00 0.00 174.94 174.72 1sa0 s ASP 205 N 1.52 7.35 0.29 3.58 -1.08 -0.01 -0.83 116.67 127.49 1sa0 s ASP 205 Ca 0.02 1.61 0.15 0.00 -0.52 0.00 0.00 52.55 53.81 1sa0 s ASP 205 Cb -0.21 -2.53 0.21 0.00 -1.46 0.00 0.00 42.92 38.94 1sa0 s ASP 205 CO -0.02 -0.03 1.51 0.78 0.52 0.00 0.00 175.17 177.93 1sa0 h ASN 206 N 5.66 0.00 -0.01 -0.34 2.35 -1.57 -1.88 115.58 119.80 1sa0 h ASN 206 Ca -0.43 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1sa0 h ASN 206 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 1sa0 h ASN 206 CO 0.71 0.51 0.00 -0.08 -1.65 0.00 0.00 177.43 176.93 1sa0 h GLU 207 N 0.00 0.01 -0.01 0.81 4.57 -1.87 0.83 114.58 118.92 1sa0 h GLU 207 Ca -0.01 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1sa0 h GLU 207 Cb 1.29 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 1sa0 h GLU 207 CO 0.07 0.16 -0.20 0.00 -1.18 0.00 0.00 179.01 177.86 1sa0 h ALA 208 N 0.85 -0.24 -0.25 2.92 0.00 -1.82 -1.90 119.26 118.82 1sa0 h ALA 208 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1sa0 h ALA 208 Cb 0.15 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1sa0 h ALA 208 CO -0.00 -0.69 -0.36 -0.07 0.00 0.00 0.00 179.25 178.13 1sa0 h LEU 209 N -0.32 -1.15 -0.71 0.00 4.07 -1.10 -0.87 115.31 115.24 1sa0 h LEU 209 Ca 0.06 0.18 0.06 0.00 0.08 0.00 0.00 57.88 58.26 1sa0 h LEU 209 Cb 0.40 0.50 -0.06 0.00 1.08 0.00 0.00 40.66 42.58 1sa0 h LEU 209 CO -0.20 -0.36 0.41 0.22 -1.08 0.00 0.00 178.44 177.43 1sa0 h TYR 210 N -0.36 0.75 -0.96 1.13 5.03 -0.69 -2.35 116.97 119.52 1sa0 h TYR 210 Ca 0.12 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.53 1sa0 h TYR 210 Cb 0.57 -0.23 -0.07 0.00 1.55 0.00 0.00 36.73 38.54 1sa0 h TYR 210 CO -0.49 0.36 0.61 -0.44 -1.32 0.00 0.00 178.16 176.88 1sa0 h ASP 211 N 0.75 0.96 0.13 -2.11 3.32 -0.42 -2.16 116.42 116.88 1sa0 h ASP 211 Ca 0.32 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1sa0 h ASP 211 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1sa0 h ASP 211 CO -0.18 0.59 -0.27 0.40 -1.72 0.00 0.00 179.24 178.06 1sa0 h ILE 212 N 1.08 1.25 0.13 0.35 5.03 -0.65 0.12 117.51 124.82 1sa0 h ILE 212 Ca 0.43 -1.17 -0.22 0.00 -0.12 0.00 0.00 64.86 63.78 1sa0 h ILE 212 Cb 0.23 1.45 0.02 0.00 -3.03 0.00 0.00 36.82 35.49 1sa0 h ILE 212 CO -0.19 0.35 -0.96 0.00 -0.68 0.00 0.00 178.15 176.68 1sa0 n PHE 214 N -4.02 0.23 0.26 0.00 7.35 -0.94 -2.25 117.46 118.09 1sa0 n PHE 214 Ca -0.14 0.10 0.11 0.00 -0.76 0.00 0.00 57.45 56.76 1sa0 n PHE 214 Cb 0.87 -1.00 0.71 0.00 0.35 0.00 0.00 39.48 40.41 1sa0 n PHE 214 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sa0 h ARG 215 N -1.00 0.00 -1.23 -4.13 2.47 -0.95 -3.32 114.38 106.22 1sa0 h ARG 215 Ca -0.60 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 57.71 1sa0 h ARG 215 Cb 1.52 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.54 1sa0 h ARG 215 CO -0.37 0.09 -0.89 0.25 0.56 0.00 0.00 179.97 179.61 1sa0 n THR 216 N -4.00 -0.29 0.00 2.04 -2.24 -1.13 -4.94 114.28 103.72 1sa0 n THR 216 Ca -0.02 -3.20 0.00 0.00 -2.27 0.00 0.00 64.05 58.56 1sa0 n THR 216 Cb 0.18 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1sa0 n THR 216 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sa0 n LEU 217 N 0.99 0.00 0.00 3.22 4.77 -1.17 -4.60 117.00 120.21 1sa0 n LEU 217 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1sa0 n LEU 217 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1sa0 n LEU 217 CO 0.13 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.48 1sa0 n LYS 218 N 0.00 -0.71 -2.45 3.23 -0.00 -1.23 -4.77 118.16 112.23 1sa0 n LYS 218 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1sa0 n LYS 218 Cb 0.00 -1.34 -0.03 0.00 -0.00 0.00 0.00 35.03 33.66 1sa0 n LYS 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1sa0 s LEU 219 N 0.00 3.20 0.00 -5.58 1.43 -0.95 -4.97 118.68 111.81 1sa0 s LEU 219 Ca 0.00 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1sa0 s LEU 219 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1sa0 s LEU 219 CO 0.00 -1.93 0.00 0.41 0.23 0.00 0.00 176.35 175.06 1sa0 n THR 220 N 6.56 0.00 -1.93 5.49 -1.04 -1.26 -3.80 114.28 118.31 1sa0 n THR 220 Ca 0.07 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.69 1sa0 n THR 220 Cb 0.50 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 68.09 1sa0 n THR 220 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1sa0 s THR 221 N 0.00 3.31 -0.47 12.58 2.01 -1.26 -4.82 115.64 126.99 1sa0 s THR 221 Ca 0.00 0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 1sa0 s THR 221 Cb 0.00 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1sa0 s THR 221 CO 0.00 -0.60 1.10 -2.84 -0.69 0.00 0.00 174.62 171.59 1sa0 s PRO 222 N 6.94 3.71 1.24 4.92 0.02 -1.26 -5.01 135.00 145.57 1sa0 s PRO 222 Ca 0.77 0.53 -0.17 0.00 0.02 0.00 0.00 61.00 62.14 1sa0 s PRO 222 Cb -0.16 -3.90 0.30 0.00 0.02 0.00 0.00 34.50 30.76 1sa0 s PRO 222 CO 0.25 -1.34 1.01 0.99 -0.33 0.00 0.00 177.00 177.58 1sa0 s THR 223 N 4.32 1.68 0.14 0.99 2.01 -1.26 -4.87 115.64 118.65 1sa0 s THR 223 Ca 0.46 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.73 1sa0 s THR 223 Cb -0.08 -2.19 0.28 0.00 0.01 0.00 0.00 72.50 70.53 1sa0 s THR 223 CO 0.30 0.00 1.88 1.88 -0.69 0.00 0.00 174.62 177.99 1sa0 h TYR 224 N -2.82 0.00 0.00 4.92 0.99 -2.00 -3.38 116.97 114.68 1sa0 h TYR 224 Ca -0.53 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.20 1sa0 h TYR 224 Cb 1.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.06 1sa0 h TYR 224 CO -1.27 0.15 0.00 0.41 -0.00 0.00 0.00 178.16 177.46 1sa0 n GLY 225 N 0.08 -2.10 3.56 3.88 0.00 -1.26 -1.96 105.19 107.38 1sa0 n GLY 225 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1sa0 n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sa0 n ASP 226 N 0.00 1.61 0.00 1.61 5.75 -1.26 0.16 116.55 124.42 1sa0 n ASP 226 Ca 0.00 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1sa0 n ASP 226 Cb 0.00 -1.63 0.00 0.00 -1.03 0.00 0.00 41.12 38.46 1sa0 n ASP 226 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1sa0 n LEU 227 N 18.36 0.00 -0.10 -2.12 7.94 -1.25 -4.15 117.00 135.68 1sa0 n LEU 227 Ca 0.47 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.24 1sa0 n LEU 227 Cb 0.42 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.37 1sa0 n LEU 227 CO 0.57 0.00 0.54 0.78 -1.11 0.00 0.00 177.39 178.16 1sa0 h ASN 228 N 0.00 0.95 -1.00 1.96 2.35 0.22 -2.94 115.58 117.13 1sa0 h ASN 228 Ca 0.00 -0.45 0.26 0.00 -0.55 0.00 0.00 56.30 55.56 1sa0 h ASN 228 Cb 0.00 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.03 1sa0 h ASN 228 CO 0.00 1.23 0.67 -0.74 -1.65 0.00 0.00 177.43 176.94 1sa0 h HIS 229 N 0.71 0.42 0.42 1.19 2.76 -1.79 0.49 115.15 119.36 1sa0 h HIS 229 Ca 0.05 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1sa0 h HIS 229 Cb 1.00 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1sa0 h HIS 229 CO 0.06 0.07 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.49 1sa0 h LEU 230 N 0.27 -0.47 -0.58 0.26 4.07 -1.82 -2.36 115.31 114.68 1sa0 h LEU 230 Ca 0.53 -0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.49 1sa0 h LEU 230 Cb 1.55 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 43.35 1sa0 h LEU 230 CO -0.17 -0.05 0.20 0.58 -1.08 0.00 0.00 178.44 177.92 1sa0 h VAL 231 N -1.04 0.77 -0.90 1.22 2.07 -1.10 -0.13 116.25 117.14 1sa0 h VAL 231 Ca -0.06 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1sa0 h VAL 231 Cb 0.53 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1sa0 h VAL 231 CO 0.09 0.07 0.60 0.77 0.02 0.00 0.00 177.57 179.12 1sa0 h SER 232 N 0.37 1.03 -0.16 0.57 4.64 -0.16 0.10 113.55 119.93 1sa0 h SER 232 Ca 0.29 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.38 1sa0 h SER 232 Cb 0.36 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1sa0 h SER 232 CO -0.30 0.74 -0.69 0.00 -0.87 0.00 0.00 176.83 175.71 1sa0 h ALA 233 N 1.33 0.40 -0.48 5.18 0.00 -0.83 -3.01 119.26 121.86 1sa0 h ALA 233 Ca 0.33 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1sa0 h ALA 233 Cb -0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sa0 h ALA 233 CO -0.08 0.69 0.23 1.15 0.00 0.00 0.00 179.25 181.24 1sa0 h THR 234 N 0.57 1.19 -0.35 0.00 2.02 -0.62 -2.46 112.91 113.25 1sa0 h THR 234 Ca -0.03 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1sa0 h THR 234 Cb 1.30 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1sa0 h THR 234 CO 0.14 0.21 0.12 0.24 0.37 0.00 0.00 175.52 176.60 1sa0 h MET 235 N 0.63 0.49 -0.46 6.66 2.86 -0.80 -0.50 114.93 123.82 1sa0 h MET 235 Ca 0.16 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1sa0 h MET 235 Cb 0.12 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1sa0 h MET 235 CO -0.02 0.43 -0.17 1.03 1.06 0.00 0.00 176.91 179.23 1sa0 h SER 236 N 0.49 0.95 -0.62 1.22 0.87 -1.35 -2.98 113.55 112.12 1sa0 h SER 236 Ca 0.12 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1sa0 h SER 236 Cb 0.13 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1sa0 h SER 236 CO -0.01 1.12 0.33 1.23 -0.53 0.00 0.00 176.83 178.97 1sa0 h GLY 237 N 0.77 0.94 1.87 5.77 0.00 -0.86 -1.36 103.07 110.20 1sa0 h GLY 237 Ca 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1sa0 h GLY 237 CO 0.06 0.42 -0.15 -2.08 0.00 0.00 0.00 176.54 174.78 1sa0 h VAL 238 N 0.85 1.17 0.00 4.60 2.07 -1.07 -3.16 116.25 120.70 1sa0 h VAL 238 Ca 0.22 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 1sa0 h VAL 238 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1sa0 h VAL 238 CO -0.03 0.23 -1.61 0.35 0.02 0.00 0.00 177.57 176.53 1sa0 n THR 239 N -4.28 0.70 -0.11 2.57 -2.24 -1.07 -4.67 114.28 105.18 1sa0 n THR 239 Ca -0.01 -0.62 -0.03 0.00 -2.27 0.00 0.00 64.05 61.12 1sa0 n THR 239 Cb 0.27 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 1sa0 n THR 239 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sa0 n THR 240 N -2.62 -0.18 -0.12 4.28 -2.24 -0.53 0.11 114.28 112.98 1sa0 n THR 240 Ca -0.08 0.70 0.25 0.00 -2.27 0.00 0.00 64.05 62.65 1sa0 n THR 240 Cb 0.72 -0.87 0.70 0.00 -2.10 0.00 0.00 70.33 68.78 1sa0 n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa0 n LEU 242 N -4.32 0.63 -1.00 0.00 -0.00 0.31 -4.23 117.00 108.40 1sa0 n LEU 242 Ca 0.15 0.14 0.08 0.00 -0.00 0.00 0.00 56.01 56.38 1sa0 n LEU 242 Cb 0.82 -0.19 0.25 0.00 -0.00 0.00 0.00 43.42 44.30 1sa0 n LEU 242 CO 0.38 0.00 0.71 0.54 -0.00 0.00 0.00 177.39 179.03 1sa0 n ARG 243 N -1.93 3.16 0.07 1.47 1.74 0.22 -4.91 116.66 116.47 1sa0 n ARG 243 Ca 0.04 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 1sa0 n ARG 243 Cb 0.41 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1sa0 n ARG 243 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sa0 n PHE 244 N 0.30 -1.17 0.00 -1.55 3.01 -0.85 -4.57 117.46 112.63 1sa0 n PHE 244 Ca 0.19 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1sa0 n PHE 244 Cb 0.73 0.51 0.00 0.00 -0.01 0.00 0.00 39.48 40.71 1sa0 n PHE 244 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1sa0 n PRO 245 N -2.97 0.00 0.00 -1.08 -0.04 -1.26 -4.59 135.00 125.05 1sa0 n PRO 245 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sa0 n PRO 245 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1sa0 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sa0 n GLY 246 N 5.00 -1.80 1.38 0.55 0.00 -1.26 -4.89 105.19 104.17 1sa0 n GLY 246 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1sa0 n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa0 n GLN 247 N 0.00 0.00 0.00 1.61 10.64 -1.26 -5.01 117.38 123.36 1sa0 n GLN 247 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1sa0 n GLN 247 Cb 0.00 -0.07 0.00 0.00 -0.86 0.00 0.00 30.24 29.31 1sa0 n GLN 247 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1sa0 n LEU 248 N -2.72 0.00 0.00 2.61 4.77 -1.26 -5.04 117.00 115.36 1sa0 n LEU 248 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sa0 n LEU 248 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sa0 n LEU 248 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.60 1sa0 n ASN 249 N 0.00 0.00 -2.68 -1.43 0.23 -1.26 -5.06 115.26 105.05 1sa0 n ASN 249 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 1sa0 n ASN 249 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1sa0 n ASN 249 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sa0 n ALA 250 N 0.00 -3.55 1.03 -2.53 0.00 -1.26 -4.58 120.51 109.61 1sa0 n ALA 250 Ca 0.00 0.96 0.08 0.00 0.00 0.00 0.00 53.44 54.48 1sa0 n ALA 250 Cb 0.00 -1.90 0.48 0.00 0.00 0.00 0.00 19.45 18.04 1sa0 n ALA 250 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sa0 n ASP 251 N 0.94 0.00 0.00 0.00 9.92 -1.26 -4.66 116.55 121.49 1sa0 n ASP 251 Ca -0.10 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 1sa0 n ASP 251 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1sa0 n ASP 251 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sa0 n LEU 252 N -0.99 0.00 -0.06 0.64 7.94 -1.26 -4.08 117.00 119.19 1sa0 n LEU 252 Ca 0.12 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.82 1sa0 n LEU 252 Cb 0.06 -0.07 -0.13 0.00 0.53 0.00 0.00 43.42 43.80 1sa0 n LEU 252 CO 0.09 0.00 -1.04 -1.14 -1.11 0.00 0.00 177.39 174.19 1sa0 n ARG 253 N -1.11 0.70 -0.31 1.96 3.00 -1.26 -2.81 116.66 116.82 1sa0 n ARG 253 Ca 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 57.85 58.05 1sa0 n ARG 253 Cb 0.00 -1.63 0.08 0.00 0.00 0.00 0.00 32.46 30.91 1sa0 n ARG 253 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1sa0 h LYS 254 N -0.09 1.13 -0.92 -0.14 1.57 -1.92 0.32 116.57 116.51 1sa0 h LYS 254 Ca -0.50 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1sa0 h LYS 254 Cb 1.91 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.93 1sa0 h LYS 254 CO -0.03 0.77 0.61 1.25 -0.57 0.00 0.00 179.45 181.48 1sa0 h LEU 255 N 1.15 1.06 0.28 2.94 7.12 -1.88 -2.11 115.31 123.88 1sa0 h LEU 255 Ca 0.31 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 1sa0 h LEU 255 Cb -0.09 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 39.78 1sa0 h LEU 255 CO -0.06 0.77 -0.14 0.00 -0.13 0.00 0.00 178.44 178.88 1sa0 h ALA 256 N 1.42 -0.59 -0.55 1.25 0.00 -0.95 -2.43 119.26 117.41 1sa0 h ALA 256 Ca 0.34 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.32 1sa0 h ALA 256 Cb -0.14 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sa0 h ALA 256 CO -0.07 -0.56 0.89 -0.24 0.00 0.00 0.00 179.25 179.27 1sa0 h VAL 257 N -0.67 0.08 0.00 0.00 3.04 -0.39 -0.48 116.25 117.83 1sa0 h VAL 257 Ca -0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1sa0 h VAL 257 Cb 0.29 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 1sa0 h VAL 257 CO 0.06 0.00 -1.52 0.59 -1.01 0.00 0.00 177.57 175.70 1sa0 n ASN 258 N -3.14 0.71 -0.07 3.17 5.03 -0.80 -4.54 115.26 115.62 1sa0 n ASN 258 Ca 0.12 -0.33 -0.06 0.00 0.87 0.00 0.00 54.58 55.17 1sa0 n ASN 258 Cb 1.08 1.56 -0.14 0.00 -1.02 0.00 0.00 39.78 41.26 1sa0 n ASN 258 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1sa0 n MET 259 N -1.91 1.10 -3.56 3.52 2.81 -0.24 -4.85 117.12 114.00 1sa0 n MET 259 Ca -0.01 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.44 1sa0 n MET 259 Cb 0.42 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 31.42 1sa0 n MET 259 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1sa0 s VAL 260 N -2.54 4.30 0.26 2.03 -7.23 -0.90 -4.66 120.40 111.66 1sa0 s VAL 260 Ca -0.08 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 57.98 1sa0 s VAL 260 Cb 0.06 -3.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.20 1sa0 s VAL 260 CO 0.71 -0.84 1.63 1.55 -0.31 0.00 0.00 175.10 177.84 1sa0 h PRO 261 N 8.03 0.28 -5.97 4.82 0.13 -1.88 -3.44 132.00 133.98 1sa0 h PRO 261 Ca -0.12 -0.16 -0.69 0.00 -0.87 0.00 0.00 66.00 64.17 1sa0 h PRO 261 Cb 1.04 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.88 1sa0 h PRO 261 CO 0.81 0.72 -0.86 -0.06 -0.23 0.00 0.00 178.00 178.38 1sa0 s PHE 262 N -3.99 2.51 0.22 1.56 0.40 -1.26 -5.02 117.98 112.39 1sa0 s PHE 262 Ca -0.05 -0.66 -0.09 0.00 -0.60 0.00 0.00 56.93 55.54 1sa0 s PHE 262 Cb 0.13 -1.63 0.33 0.00 0.51 0.00 0.00 43.02 42.35 1sa0 s PHE 262 CO 0.79 -0.17 1.27 -0.35 0.70 0.00 0.00 175.22 177.46 1sa0 n PRO 263 N 2.94 -0.11 -0.08 0.24 -0.04 -1.26 -3.57 135.00 133.12 1sa0 n PRO 263 Ca -0.17 1.27 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1sa0 n PRO 263 Cb 0.52 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1sa0 n PRO 263 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sa0 n ARG 264 N -5.30 0.00 0.00 0.54 5.12 -1.26 -4.48 116.66 111.28 1sa0 n ARG 264 Ca 0.12 -0.36 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 1sa0 n ARG 264 Cb 0.39 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1sa0 n ARG 264 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1sa0 n LEU 265 N 4.31 0.00 0.00 0.55 -0.00 -1.23 -4.67 117.00 115.95 1sa0 n LEU 265 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1sa0 n LEU 265 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1sa0 n LEU 265 CO 0.38 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 179.18 1sa0 n HIS 266 N 0.05 0.00 -3.56 1.47 8.25 -1.26 -4.10 115.22 116.07 1sa0 n HIS 266 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1sa0 n HIS 266 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1sa0 n HIS 266 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sa0 s PHE 267 N 0.00 3.49 0.01 4.41 0.40 -1.26 -4.09 117.98 120.94 1sa0 s PHE 267 Ca 0.00 0.61 -0.19 0.00 -0.60 0.00 0.00 56.93 56.75 1sa0 s PHE 267 Cb 0.00 -2.30 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 1sa0 s PHE 267 CO 0.00 0.31 0.55 -0.06 0.70 0.00 0.00 175.22 176.72 1sa0 s PHE 268 N 0.24 3.72 -0.24 0.36 2.99 -0.65 -4.43 117.98 119.97 1sa0 s PHE 268 Ca 0.17 1.17 -0.09 0.00 0.00 0.00 0.00 56.93 58.18 1sa0 s PHE 268 Cb -0.13 -2.52 -0.04 0.00 0.00 0.00 0.00 43.02 40.33 1sa0 s PHE 268 CO 0.04 0.46 0.11 0.00 -0.00 0.00 0.00 175.22 175.83 1sa0 s MET 269 N -0.56 3.86 0.36 0.44 0.23 0.57 -1.49 119.30 122.71 1sa0 s MET 269 Ca 0.29 -0.38 -0.03 0.00 -1.03 0.00 0.00 55.69 54.54 1sa0 s MET 269 Cb -0.18 -3.40 -0.04 0.00 -1.53 0.00 0.00 34.83 29.68 1sa0 s MET 269 CO 0.17 -0.02 0.60 -1.25 -2.03 0.00 0.00 175.02 172.49 1sa0 s PRO 270 N 1.22 3.55 -0.11 3.16 0.05 -1.26 -0.65 135.00 140.97 1sa0 s PRO 270 Ca 0.06 -0.09 -0.14 0.00 0.05 0.00 0.00 61.00 60.87 1sa0 s PRO 270 Cb -0.14 -2.59 0.04 0.00 0.05 0.00 0.00 34.50 31.85 1sa0 s PRO 270 CO 0.05 0.09 0.38 0.20 0.05 0.00 0.00 177.00 177.77 1sa0 s GLY 271 N -3.72 -0.27 0.29 0.56 0.00 -0.03 0.13 107.32 104.27 1sa0 s GLY 271 Ca 0.43 0.92 0.09 0.00 0.00 0.00 0.00 44.72 46.16 1sa0 s GLY 271 CO 0.36 0.74 0.01 -0.12 0.00 0.00 0.00 173.10 174.09 1sa0 s PHE 272 N -0.22 2.64 0.00 1.90 5.36 -1.22 0.44 117.98 126.89 1sa0 s PHE 272 Ca -0.04 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 1sa0 s PHE 272 Cb -0.03 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 1sa0 s PHE 272 CO 0.02 0.56 0.00 0.00 -1.46 0.00 0.00 175.22 174.34 1sa0 n ALA 273 N -0.93 0.00 -2.09 11.12 0.00 0.43 -4.53 120.51 124.51 1sa0 n ALA 273 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 1sa0 n ALA 273 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1sa0 n ALA 273 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sa0 s PRO 274 N 0.04 3.85 0.23 0.00 0.02 -1.26 -4.83 135.00 133.04 1sa0 s PRO 274 Ca 0.00 0.62 -0.15 0.00 0.02 0.00 0.00 61.00 61.48 1sa0 s PRO 274 Cb 0.00 -2.33 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1sa0 s PRO 274 CO 0.00 -0.07 0.52 -0.48 -0.33 0.00 0.00 177.00 176.64 1sa0 s LEU 275 N -3.79 0.19 0.00 -5.54 0.05 -1.26 -5.02 118.68 103.31 1sa0 s LEU 275 Ca 0.54 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 54.00 1sa0 s LEU 275 Cb -0.10 2.01 0.00 0.00 -2.05 0.00 0.00 46.19 46.05 1sa0 s LEU 275 CO 0.29 -1.12 0.00 0.41 -0.55 0.00 0.00 176.35 175.38 1sa0 n THR 276 N -0.37 0.00 -3.11 5.48 -1.04 -1.26 -5.14 114.28 108.84 1sa0 n THR 276 Ca -0.05 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1sa0 n THR 276 Cb 0.62 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.08 1sa0 n THR 276 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sa0 n SER 277 N 0.00 4.38 0.00 8.00 3.41 -1.26 -5.12 113.62 123.03 1sa0 n SER 277 Ca 0.00 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 1sa0 n SER 277 Cb 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1sa0 n SER 277 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sa0 n LEU 286 N 0.20 0.00 0.22 1.04 4.77 -1.26 -5.19 117.00 116.78 1sa0 n LEU 286 Ca 0.31 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.37 1sa0 n LEU 286 Cb 0.39 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.00 1sa0 n LEU 286 CO 0.38 0.00 0.83 0.00 -1.33 0.00 0.00 177.39 177.27 1sa0 h THR 287 N 0.00 0.80 0.00 -5.08 1.03 -2.01 -3.45 112.91 104.20 1sa0 h THR 287 Ca 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.40 1sa0 h THR 287 Cb 0.00 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1sa0 h THR 287 CO 0.00 0.24 0.00 0.52 -0.01 0.00 0.00 175.52 176.27 1sa0 n VAL 288 N -3.70 0.00 -0.30 0.00 0.31 -1.26 -4.67 118.33 108.71 1sa0 n VAL 288 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1sa0 n VAL 288 Cb 0.36 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.65 1sa0 n VAL 288 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sa0 h PRO 289 N 0.00 0.71 -0.17 5.55 0.11 -1.95 0.37 132.00 136.62 1sa0 h PRO 289 Ca 0.00 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1sa0 h PRO 289 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1sa0 h PRO 289 CO 0.00 0.47 -0.28 0.93 -0.21 0.00 0.00 178.00 178.91 1sa0 h GLU 290 N 0.73 0.32 -0.06 1.05 5.08 -1.93 -2.01 114.58 117.76 1sa0 h GLU 290 Ca 0.49 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1sa0 h GLU 290 Cb 0.77 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1sa0 h GLU 290 CO -0.25 0.58 -0.48 1.25 -1.00 0.00 0.00 179.01 179.11 1sa0 h LEU 291 N 0.28 0.53 0.24 1.33 6.46 -1.12 -3.15 115.31 119.88 1sa0 h LEU 291 Ca 0.04 -0.68 -0.01 0.00 -0.12 0.00 0.00 57.88 57.11 1sa0 h LEU 291 Cb 0.64 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1sa0 h LEU 291 CO 0.05 1.13 -0.11 0.71 -0.62 0.00 0.00 178.44 179.59 1sa0 h THR 292 N -0.03 0.83 -1.24 1.05 1.35 -0.33 -1.23 112.91 113.31 1sa0 h THR 292 Ca -0.04 -0.42 0.36 0.00 -0.55 0.00 0.00 66.41 65.75 1sa0 h THR 292 Cb 1.15 1.07 -0.05 0.00 -1.73 0.00 0.00 68.15 68.58 1sa0 h THR 292 CO 0.10 0.09 0.89 1.56 -0.25 0.00 0.00 175.52 177.91 1sa0 h GLN 293 N -0.53 0.03 0.08 4.72 4.20 -1.47 -0.55 115.11 121.58 1sa0 h GLN 293 Ca -0.03 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 1sa0 h GLN 293 Cb 0.40 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1sa0 h GLN 293 CO 0.05 0.02 -1.12 0.37 -0.67 0.00 0.00 178.83 177.48 1sa0 h GLN 294 N 0.03 0.17 0.00 1.46 4.15 -1.47 -3.34 115.11 116.11 1sa0 h GLN 294 Ca 0.60 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1sa0 h GLN 294 Cb 2.34 0.11 0.00 0.00 0.21 0.00 0.00 27.48 30.14 1sa0 h GLN 294 CO -0.03 1.14 0.00 -0.12 -1.93 0.00 0.00 178.83 177.88 1sa0 n MET 295 N -4.14 0.04 -0.27 1.69 1.56 -0.28 -1.84 117.12 113.89 1sa0 n MET 295 Ca -0.23 0.34 0.07 0.00 -0.27 0.00 0.00 57.70 57.61 1sa0 n MET 295 Cb 0.79 -1.59 0.19 0.00 2.15 0.00 0.00 33.22 34.76 1sa0 n MET 295 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1sa0 n PHE 296 N -1.66 0.58 -3.95 1.12 3.01 -0.82 -4.82 117.46 110.91 1sa0 n PHE 296 Ca 0.02 -0.74 -0.36 0.00 1.01 0.00 0.00 57.45 57.38 1sa0 n PHE 296 Cb 0.15 -0.18 -0.07 0.00 -0.01 0.00 0.00 39.48 39.36 1sa0 n PHE 296 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1sa0 s ASP 297 N -1.68 6.07 0.16 4.37 2.15 -0.76 -5.01 116.67 121.97 1sa0 s ASP 297 Ca 0.31 0.33 -0.18 0.00 0.43 0.00 0.00 52.55 53.44 1sa0 s ASP 297 Cb 0.23 -1.96 0.08 0.00 -0.30 0.00 0.00 42.92 40.97 1sa0 s ASP 297 CO 0.09 0.34 1.66 0.00 -0.17 0.00 0.00 175.17 177.09 1sa0 h ALA 298 N 5.49 0.18 0.00 3.66 0.00 -1.90 0.63 119.26 127.32 1sa0 h ALA 298 Ca -0.50 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sa0 h ALA 298 Cb 1.20 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1sa0 h ALA 298 CO 0.62 -0.50 0.12 1.17 0.00 0.00 0.00 179.25 180.66 1sa0 n LYS 299 N -5.32 0.00 -0.17 0.00 4.81 -1.26 -0.74 118.16 115.48 1sa0 n LYS 299 Ca 0.01 0.10 0.02 0.00 -0.87 0.00 0.00 58.31 57.57 1sa0 n LYS 299 Cb 0.23 -1.62 0.03 0.00 0.02 0.00 0.00 35.03 33.69 1sa0 n LYS 299 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sa0 n ASN 300 N -0.94 0.79 -4.89 3.14 2.85 0.21 -4.89 115.26 111.52 1sa0 n ASN 300 Ca 0.00 -1.87 -0.29 0.00 -0.11 0.00 0.00 54.58 52.31 1sa0 n ASN 300 Cb 0.12 -0.14 -0.03 0.00 1.24 0.00 0.00 39.78 40.97 1sa0 n ASN 300 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1sa0 s MET 301 N -0.70 3.70 0.00 1.20 -1.94 0.08 -3.40 119.30 118.24 1sa0 s MET 301 Ca 0.06 0.28 0.27 0.00 -1.71 0.00 0.00 55.69 54.59 1sa0 s MET 301 Cb 0.05 -2.46 0.80 0.00 2.01 0.00 0.00 34.83 35.22 1sa0 s MET 301 CO 0.01 0.01 1.59 -1.33 -0.01 0.00 0.00 175.02 175.29 1sa0 n MET 302 N -1.36 0.91 -4.93 2.03 2.81 0.35 -4.82 117.12 112.10 1sa0 n MET 302 Ca 0.01 -0.53 -0.28 0.00 -1.81 0.00 0.00 57.70 55.08 1sa0 n MET 302 Cb 0.54 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 31.41 1sa0 n MET 302 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sa0 s ALA 303 N -2.45 1.98 -0.78 3.04 0.00 -1.26 -0.83 121.76 121.45 1sa0 s ALA 303 Ca 0.26 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 1sa0 s ALA 303 Cb 0.19 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1sa0 s ALA 303 CO 0.50 0.47 1.99 0.00 0.00 0.00 0.00 175.76 178.72 1sa0 s ALA 304 N -0.69 1.72 0.00 0.00 0.00 -1.26 -4.74 121.76 116.78 1sa0 s ALA 304 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1sa0 s ALA 304 Cb -0.09 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1sa0 s ALA 304 CO 0.01 -4.63 0.00 0.00 0.00 0.00 0.00 175.76 171.14 1sa0 s ASP 306 N 0.37 -0.65 -0.49 0.00 -1.08 -1.26 -4.92 116.67 108.64 1sa0 s ASP 306 Ca 0.00 -0.25 -0.26 0.00 -0.52 0.00 0.00 52.55 51.52 1sa0 s ASP 306 Cb 0.00 0.94 -0.06 0.00 -1.46 0.00 0.00 42.92 42.34 1sa0 s ASP 306 CO 0.00 -0.08 2.30 -2.16 0.52 0.00 0.00 175.17 175.75 1sa0 s PRO 307 N 2.13 2.27 0.00 4.34 0.04 -1.26 -1.64 135.00 140.89 1sa0 s PRO 307 Ca 0.17 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1sa0 s PRO 307 Cb 0.00 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1sa0 s PRO 307 CO -0.15 -3.09 0.00 0.54 0.04 0.00 0.00 177.00 174.34 1sa0 n ARG 308 N 9.01 0.00 -0.79 4.56 3.00 -1.26 -4.86 116.66 126.32 1sa0 n ARG 308 Ca 0.33 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 58.10 1sa0 n ARG 308 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.90 1sa0 n ARG 308 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1sa0 n HIS 309 N -2.14 0.00 0.00 -1.55 8.25 -0.65 -4.71 115.22 114.42 1sa0 n HIS 309 Ca 0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 57.72 56.17 1sa0 n HIS 309 Cb 0.00 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 29.96 1sa0 n HIS 309 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sa0 n GLY 310 N 2.10 4.23 3.90 -1.41 0.00 -1.26 -4.39 105.19 108.36 1sa0 n GLY 310 Ca 0.25 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1sa0 n GLY 310 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sa0 s ARG 311 N -2.74 2.99 -0.15 1.61 0.52 -1.26 -4.68 118.95 115.23 1sa0 s ARG 311 Ca 0.00 0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 55.29 1sa0 s ARG 311 Cb 0.00 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 1sa0 s ARG 311 CO 0.00 -0.75 0.19 0.71 0.02 0.00 0.00 175.30 175.47 1sa0 s TYR 312 N -3.09 3.52 -0.12 -0.53 1.51 -0.53 -1.89 117.35 116.23 1sa0 s TYR 312 Ca 0.55 0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 56.94 1sa0 s TYR 312 Cb -0.11 -2.12 -0.15 0.00 -0.11 0.00 0.00 41.96 39.47 1sa0 s TYR 312 CO 0.47 0.48 0.49 -0.07 -1.11 0.00 0.00 175.55 175.82 1sa0 h LEU 313 N 5.87 -0.02 -7.37 -1.29 4.07 -0.37 -2.94 115.31 113.27 1sa0 h LEU 313 Ca -0.47 -0.56 -0.11 0.00 0.08 0.00 0.00 57.88 56.82 1sa0 h LEU 313 Cb 1.19 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.72 1sa0 h LEU 313 CO 0.68 0.75 -0.19 0.42 -1.08 0.00 0.00 178.44 179.02 1sa0 s THR 314 N -2.09 0.03 0.07 0.22 -4.23 -1.19 -4.80 115.64 103.64 1sa0 s THR 314 Ca -0.11 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1sa0 s THR 314 Cb -0.02 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.14 1sa0 s THR 314 CO 0.41 -0.13 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.52 1sa0 s VAL 315 N -0.73 1.20 -0.05 2.29 1.01 -0.61 -1.68 120.40 121.83 1sa0 s VAL 315 Ca -0.08 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 1sa0 s VAL 315 Cb -0.04 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1sa0 s VAL 315 CO 0.04 -0.13 0.09 0.00 0.00 0.00 0.00 175.10 175.09 1sa0 s ALA 316 N -1.13 0.08 0.03 5.51 0.00 -0.52 -2.19 121.76 123.53 1sa0 s ALA 316 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.37 1sa0 s ALA 316 Cb -0.09 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1sa0 s ALA 316 CO 0.02 -0.43 -0.23 0.00 0.00 0.00 0.00 175.76 175.13 1sa0 s ALA 317 N 1.96 1.93 -0.20 0.00 0.00 -0.44 -0.34 121.76 124.67 1sa0 s ALA 317 Ca 0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1sa0 s ALA 317 Cb -0.12 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1sa0 s ALA 317 CO -0.04 0.45 0.00 0.54 0.00 0.00 0.00 175.76 176.72 1sa0 s VAL 318 N -0.73 0.85 0.99 0.00 0.11 -0.92 -0.73 120.40 119.98 1sa0 s VAL 318 Ca 0.09 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.23 1sa0 s VAL 318 Cb -0.09 -1.26 0.23 0.00 -1.53 0.00 0.00 36.38 33.72 1sa0 s VAL 318 CO 0.01 -0.15 1.35 0.49 -3.33 0.00 0.00 175.10 173.47 1sa0 n PHE 319 N 4.93 -3.95 -3.64 1.54 3.01 0.91 -2.10 117.46 118.16 1sa0 n PHE 319 Ca -0.10 -1.23 -0.08 0.00 1.01 0.00 0.00 57.45 57.05 1sa0 n PHE 319 Cb 0.46 -1.04 -0.07 0.00 -0.01 0.00 0.00 39.48 38.83 1sa0 n PHE 319 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1sa0 s ARG 320 N -5.94 0.63 0.00 -1.08 3.52 0.70 -3.27 118.95 113.52 1sa0 s ARG 320 Ca 0.77 0.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.30 1sa0 s ARG 320 Cb -0.02 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1sa0 s ARG 320 CO 0.54 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 1sa0 n GLY 321 N 3.43 2.73 3.55 8.12 0.00 -0.18 -1.96 105.19 120.89 1sa0 n GLY 321 Ca -0.17 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1sa0 n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sa0 s ARG 322 N -3.21 2.30 0.03 1.61 1.81 -1.26 -4.61 118.95 115.61 1sa0 s ARG 322 Ca 0.00 1.05 -0.13 0.00 -1.72 0.00 0.00 55.73 54.93 1sa0 s ARG 322 Cb 0.00 -4.52 0.02 0.00 -0.45 0.00 0.00 34.95 30.00 1sa0 s ARG 322 CO 0.00 -3.10 0.28 0.00 -0.68 0.00 0.00 175.30 171.80 1sa0 s MET 323 N 7.79 0.76 -0.38 3.54 0.23 -1.26 -5.05 119.30 124.93 1sa0 s MET 323 Ca 0.85 -0.48 -0.28 0.00 -1.03 0.00 0.00 55.69 54.74 1sa0 s MET 323 Cb -0.15 0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.50 1sa0 s MET 323 CO 0.23 -0.23 1.07 -1.54 -2.03 0.00 0.00 175.02 172.51 1sa0 s SER 324 N -1.95 6.78 0.50 -1.18 1.04 -1.26 -4.92 113.70 112.71 1sa0 s SER 324 Ca -0.06 0.75 0.28 0.00 0.48 0.00 0.00 55.95 57.40 1sa0 s SER 324 Cb -0.02 -2.53 1.38 0.00 0.10 0.00 0.00 66.02 64.96 1sa0 s SER 324 CO -0.02 -1.00 1.87 0.00 0.98 0.00 0.00 173.24 175.06 1sa0 h MET 325 N 8.56 0.10 -0.80 4.02 3.00 -1.99 0.14 114.93 127.97 1sa0 h MET 325 Ca -0.22 -0.01 0.19 0.00 0.00 0.00 0.00 59.70 59.67 1sa0 h MET 325 Cb 1.06 -0.02 -0.13 0.00 0.00 0.00 0.00 31.60 32.51 1sa0 h MET 325 CO 1.06 0.07 0.16 0.87 0.00 0.00 0.00 176.91 179.07 1sa0 h LYS 326 N 0.11 0.21 -0.09 -0.10 6.56 -2.00 0.17 116.57 121.42 1sa0 h LYS 326 Ca 0.46 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.97 1sa0 h LYS 326 Cb 1.63 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.24 1sa0 h LYS 326 CO -0.06 0.14 -0.21 1.49 -2.06 0.00 0.00 179.45 178.74 1sa0 h GLU 327 N 0.21 0.30 0.21 3.15 4.81 -1.12 -3.18 114.58 118.96 1sa0 h GLU 327 Ca 0.47 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1sa0 h GLU 327 Cb 0.87 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1sa0 h GLU 327 CO -0.60 0.81 -0.47 0.28 -0.73 0.00 0.00 179.01 178.30 1sa0 h VAL 328 N -0.17 0.08 -0.67 0.32 2.07 -0.96 0.64 116.25 117.56 1sa0 h VAL 328 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1sa0 h VAL 328 Cb 0.82 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1sa0 h VAL 328 CO 0.05 0.00 0.48 0.44 0.02 0.00 0.00 177.57 178.55 1sa0 h ASP 329 N -0.76 0.08 -0.02 0.57 3.32 -0.87 0.41 116.42 119.14 1sa0 h ASP 329 Ca -0.01 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1sa0 h ASP 329 Cb 0.75 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.29 1sa0 h ASP 329 CO -0.21 0.04 -0.34 -0.08 -1.72 0.00 0.00 179.24 176.93 1sa0 h GLU 330 N 0.08 0.27 -0.19 3.56 4.81 -1.33 -2.85 114.58 118.92 1sa0 h GLU 330 Ca 0.32 -0.26 -0.21 0.00 -0.13 0.00 0.00 59.36 59.08 1sa0 h GLU 330 Cb 1.17 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.63 1sa0 h GLU 330 CO -0.03 0.95 -0.71 1.96 -0.73 0.00 0.00 179.01 180.45 1sa0 h GLN 331 N -0.32 0.81 0.00 1.92 1.08 0.26 -2.38 115.11 116.48 1sa0 h GLN 331 Ca -0.04 -0.62 -0.01 0.00 -1.45 0.00 0.00 58.65 56.54 1sa0 h GLN 331 Cb 1.05 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1sa0 h GLN 331 CO 0.07 1.23 -0.05 0.52 -0.95 0.00 0.00 178.83 179.65 1sa0 h MET 332 N 0.57 0.00 0.11 1.46 2.86 -0.33 -0.41 114.93 119.19 1sa0 h MET 332 Ca -0.03 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.32 1sa0 h MET 332 Cb 1.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 1sa0 h MET 332 CO 0.15 0.05 -1.35 1.25 1.06 0.00 0.00 176.91 178.06 1sa0 h LEU 333 N 0.00 0.37 0.00 1.22 5.85 -1.42 -3.31 115.31 118.02 1sa0 h LEU 333 Ca -0.00 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1sa0 h LEU 333 Cb 0.12 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1sa0 h LEU 333 CO 0.01 1.36 0.00 -3.20 -0.34 0.00 0.00 178.44 176.27 1sa0 n ASN 334 N -3.48 0.00 -0.09 1.25 5.15 -0.23 -2.97 115.26 114.89 1sa0 n ASN 334 Ca -0.11 0.31 -0.18 0.00 -0.60 0.00 0.00 54.58 54.00 1sa0 n ASN 334 Cb 1.03 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.77 1sa0 n ASN 334 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1sa0 h VAL 335 N 0.00 0.90 -0.06 3.44 2.07 -1.47 -3.23 116.25 117.90 1sa0 h VAL 335 Ca 0.00 -2.02 -0.44 0.00 0.82 0.00 0.00 66.70 65.06 1sa0 h VAL 335 Cb 0.22 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1sa0 h VAL 335 CO 0.00 0.31 1.76 0.00 0.02 0.00 0.00 177.57 179.65 1sa0 n GLN 336 N -4.49 2.90 0.14 1.57 10.64 -1.16 -1.06 117.38 125.93 1sa0 n GLN 336 Ca -0.25 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.24 1sa0 n GLN 336 Cb 0.58 -2.41 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1sa0 n GLN 336 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1sa0 n ASN 337 N 2.96 -2.23 0.06 2.61 3.02 -1.24 -4.25 115.26 116.19 1sa0 n ASN 337 Ca 0.61 0.54 0.09 0.00 -0.03 0.00 0.00 54.58 55.79 1sa0 n ASN 337 Cb 0.56 2.23 0.39 0.00 -0.61 0.00 0.00 39.78 42.35 1sa0 n ASN 337 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sa0 n LYS 338 N -3.13 0.08 -0.25 3.52 4.76 -1.11 -2.26 118.16 119.77 1sa0 n LYS 338 Ca 0.00 0.33 0.02 0.00 -2.87 0.00 0.00 58.31 55.79 1sa0 n LYS 338 Cb 0.00 -1.66 0.03 0.00 -1.84 0.00 0.00 35.03 31.56 1sa0 n LYS 338 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sa0 n ASN 339 N -1.82 0.66 0.00 4.39 5.03 -0.22 -4.93 115.26 118.37 1sa0 n ASN 339 Ca 0.03 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.50 1sa0 n ASN 339 Cb 0.19 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1sa0 n ASN 339 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1sa0 n SER 340 N -0.33 0.00 0.09 6.41 3.41 -0.96 -0.61 113.62 121.63 1sa0 n SER 340 Ca 0.03 0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.80 1sa0 n SER 340 Cb 0.60 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1sa0 n SER 340 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sa0 h SER 341 N 0.00 0.00 -0.32 4.04 0.02 -1.92 -3.37 113.55 112.00 1sa0 h SER 341 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sa0 h SER 341 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1sa0 h SER 341 CO 0.00 0.24 0.00 -1.22 -1.14 0.00 0.00 176.83 174.71 1sa0 n TYR 342 N -2.81 1.13 -3.86 3.45 0.53 0.22 -4.63 117.16 111.19 1sa0 n TYR 342 Ca -0.03 -0.39 -0.30 0.00 -1.02 0.00 0.00 57.90 56.15 1sa0 n TYR 342 Cb 0.66 -0.32 -0.15 0.00 -1.03 0.00 0.00 39.34 38.50 1sa0 n TYR 342 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1sa0 s PHE 343 N -1.95 2.51 -0.12 -0.72 0.40 -1.26 -1.45 117.98 115.39 1sa0 s PHE 343 Ca 0.30 -2.19 -0.22 0.00 -0.60 0.00 0.00 56.93 54.22 1sa0 s PHE 343 Cb 0.23 -2.14 -0.10 0.00 0.51 0.00 0.00 43.02 41.52 1sa0 s PHE 343 CO 0.09 -0.89 0.67 0.28 0.70 0.00 0.00 175.22 176.07 1sa0 n VAL 344 N 4.62 0.00 0.53 -0.44 0.31 -1.11 -4.82 118.33 117.41 1sa0 n VAL 344 Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.41 1sa0 n VAL 344 Cb 0.42 -0.12 0.24 0.00 -0.91 0.00 0.00 33.84 33.48 1sa0 n VAL 344 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sa0 n GLU 345 N 1.36 2.13 -0.21 5.55 4.71 -1.26 -3.91 120.64 129.01 1sa0 n GLU 345 Ca 0.13 -1.74 0.11 0.00 -0.01 0.00 0.00 57.16 55.65 1sa0 n GLU 345 Cb 0.01 -1.40 0.26 0.00 -1.01 0.00 0.00 31.44 29.30 1sa0 n GLU 345 CO 0.00 0.00 0.00 -2.67 0.09 0.00 0.00 177.13 174.55 1sa0 n TRP 346 N 0.92 0.54 -3.85 -0.32 4.27 -1.26 -4.67 117.44 113.07 1sa0 n TRP 346 Ca 0.17 -0.27 -0.29 0.00 -3.89 0.00 0.00 57.50 53.22 1sa0 n TRP 346 Cb 0.43 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 30.21 1sa0 n TRP 346 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1sa0 s ILE 347 N -1.46 1.04 0.00 -1.67 1.01 -1.25 -5.14 121.20 113.73 1sa0 s ILE 347 Ca 0.38 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1sa0 s ILE 347 Cb 0.21 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1sa0 s ILE 347 CO 0.29 -0.06 0.00 -2.65 0.00 0.00 0.00 174.94 172.53 1sa0 n PRO 348 N 4.87 0.00 -1.31 2.79 -0.02 -1.26 -4.14 135.00 135.93 1sa0 n PRO 348 Ca -0.11 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.12 1sa0 n PRO 348 Cb 0.46 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.83 1sa0 n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sa0 n ASN 349 N 0.00 1.43 -1.52 2.55 4.13 -1.26 -4.62 115.26 115.97 1sa0 n ASN 349 Ca 0.00 -2.52 0.01 0.00 1.68 0.00 0.00 54.58 53.75 1sa0 n ASN 349 Cb 0.00 -1.38 0.24 0.00 -1.54 0.00 0.00 39.78 37.11 1sa0 n ASN 349 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1sa0 n ASN 350 N 16.12 4.05 -3.48 6.41 2.04 -1.26 -4.73 115.26 134.42 1sa0 n ASN 350 Ca 0.43 -2.72 -0.18 0.00 -0.44 0.00 0.00 54.58 51.68 1sa0 n ASN 350 Cb 0.45 -0.65 -0.12 0.00 -2.53 0.00 0.00 39.78 36.93 1sa0 n ASN 350 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1sa0 s VAL 351 N -2.19 -0.35 -0.04 3.53 0.11 -1.26 -1.57 120.40 118.63 1sa0 s VAL 351 Ca 0.37 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.35 1sa0 s VAL 351 Cb 0.29 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1sa0 s VAL 351 CO 0.10 -0.20 -0.18 -0.54 -3.33 0.00 0.00 175.10 170.94 1sa0 s LYS 352 N 2.34 2.39 -0.04 1.54 -0.14 -0.93 -5.01 119.74 119.90 1sa0 s LYS 352 Ca 0.07 -0.77 0.06 0.00 -1.36 0.00 0.00 55.97 53.97 1sa0 s LYS 352 Cb -0.16 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 33.71 1sa0 s LYS 352 CO -0.13 0.59 -0.23 0.95 -0.76 0.00 0.00 175.35 175.77 1sa0 s THR 353 N -0.66 1.86 -0.02 2.17 -4.23 -1.26 -1.33 115.64 112.17 1sa0 s THR 353 Ca 0.10 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1sa0 s THR 353 Cb -0.11 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1sa0 s THR 353 CO 0.00 0.52 -0.21 0.00 -0.54 0.00 0.00 174.62 174.40 1sa0 s ALA 354 N -0.30 1.75 -0.04 3.99 0.00 0.10 -4.99 121.76 122.27 1sa0 s ALA 354 Ca 0.02 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1sa0 s ALA 354 Cb -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1sa0 s ALA 354 CO 0.01 0.43 -0.20 0.14 0.00 0.00 0.00 175.76 176.14 1sa0 s VAL 355 N -0.49 1.64 0.04 0.00 -7.23 -1.26 -0.06 120.40 113.04 1sa0 s VAL 355 Ca 0.08 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 1sa0 s VAL 355 Cb -0.08 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1sa0 s VAL 355 CO -0.01 0.46 -0.13 0.00 -0.31 0.00 0.00 175.10 175.12 1sa0 n ASP 357 N 1.77 4.19 -4.19 0.00 3.85 -1.26 -1.01 116.55 119.91 1sa0 n ASP 357 Ca -0.19 -3.22 -0.39 0.00 -0.71 0.00 0.00 54.79 50.29 1sa0 n ASP 357 Cb 0.55 -0.65 -0.10 0.00 -1.35 0.00 0.00 41.12 39.57 1sa0 n ASP 357 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1sa0 s ILE 358 N -2.96 3.83 0.42 2.12 1.10 -1.26 -4.30 121.20 120.14 1sa0 s ILE 358 Ca 0.49 -1.80 -0.23 0.00 -0.51 0.00 0.00 60.65 58.59 1sa0 s ILE 358 Cb 0.40 -3.51 -0.12 0.00 0.15 0.00 0.00 42.46 39.38 1sa0 s ILE 358 CO 0.10 -0.67 0.75 -2.65 -2.11 0.00 0.00 174.94 170.35 1sa0 n PRO 359 N 4.78 0.87 0.00 3.50 -0.02 -1.26 -4.63 135.00 138.25 1sa0 n PRO 359 Ca -0.06 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1sa0 n PRO 359 Cb 0.41 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1sa0 n PRO 359 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sa0 n PRO 360 N 0.35 0.67 -0.66 0.52 -0.02 -1.26 -5.02 135.00 129.58 1sa0 n PRO 360 Ca 0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1sa0 n PRO 360 Cb 0.39 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.05 1sa0 n PRO 360 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1sa0 n ARG 369 N -0.26 -1.53 0.00 -0.52 -4.01 -1.26 -4.54 116.66 104.54 1sa0 n ARG 369 Ca 0.00 -0.42 0.00 0.00 -1.04 0.00 0.00 57.85 56.39 1sa0 n ARG 369 Cb 0.00 -1.79 0.00 0.00 -3.04 0.00 0.00 32.46 27.63 1sa0 n ARG 369 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1sa0 n GLY 370 N 1.80 0.24 0.00 2.89 0.00 -1.26 -4.75 105.19 104.11 1sa0 n GLY 370 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sa0 n GLY 370 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sa0 n LEU 371 N 0.00 0.00 0.09 0.99 7.99 -1.26 -4.92 117.00 119.88 1sa0 n LEU 371 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 1sa0 n LEU 371 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 1sa0 n LEU 371 CO 0.00 0.00 0.11 0.07 -1.51 0.00 0.00 177.39 176.06 1sa0 h LYS 372 N 1.30 0.26 -5.13 3.23 2.10 -1.92 -3.37 116.57 113.05 1sa0 h LYS 372 Ca 0.00 -0.36 -0.39 0.00 -2.00 0.00 0.00 60.65 57.91 1sa0 h LYS 372 Cb 0.00 0.12 -0.23 0.00 -0.90 0.00 0.00 32.23 31.22 1sa0 h LYS 372 CO 0.00 1.10 -0.77 1.41 -2.00 0.00 0.00 179.45 179.19 1sa0 s MET 373 N -2.96 0.77 -0.01 0.07 -2.45 -1.26 -4.50 119.30 108.96 1sa0 s MET 373 Ca -0.04 -0.82 -0.29 0.00 -1.25 0.00 0.00 55.69 53.30 1sa0 s MET 373 Cb 0.09 -0.73 0.08 0.00 1.25 0.00 0.00 34.83 35.51 1sa0 s MET 373 CO 0.86 0.17 0.71 0.45 1.05 0.00 0.00 175.02 178.26 1sa0 s SER 374 N -1.44 -0.58 0.05 1.11 0.15 -0.83 -4.79 113.70 107.37 1sa0 s SER 374 Ca -0.02 0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.97 1sa0 s SER 374 Cb -0.09 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1sa0 s SER 374 CO 0.01 -0.67 0.21 0.00 1.20 0.00 0.00 173.24 174.00 1sa0 s ALA 375 N -1.96 -0.38 0.12 5.45 0.00 -1.26 -0.21 121.76 123.51 1sa0 s ALA 375 Ca -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1sa0 s ALA 375 Cb -0.00 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1sa0 s ALA 375 CO 0.02 -0.41 0.10 -0.08 0.00 0.00 0.00 175.76 175.39 1sa0 s THR 376 N -2.93 0.11 -0.07 0.00 -1.32 -0.89 -0.43 115.64 110.12 1sa0 s THR 376 Ca -0.02 -1.74 -0.05 0.00 -1.21 0.00 0.00 61.69 58.67 1sa0 s THR 376 Cb 0.01 -1.88 0.03 0.00 -1.51 0.00 0.00 72.50 69.14 1sa0 s THR 376 CO -0.06 -0.52 0.17 0.12 -2.21 0.00 0.00 174.62 172.12 1sa0 s PHE 377 N -4.00 -0.20 -0.17 9.09 5.36 0.17 -2.15 117.98 126.08 1sa0 s PHE 377 Ca 0.19 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 1sa0 s PHE 377 Cb 0.06 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 1sa0 s PHE 377 CO -0.01 -0.13 -0.15 0.42 -1.46 0.00 0.00 175.22 173.88 1sa0 s ILE 378 N 0.57 2.55 -0.11 3.12 1.01 0.54 -0.86 121.20 128.03 1sa0 s ILE 378 Ca -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1sa0 s ILE 378 Cb -0.05 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1sa0 s ILE 378 CO -0.03 0.51 -0.05 -0.83 0.00 0.00 0.00 174.94 174.54 1sa0 s GLY 379 N 1.05 0.74 -1.03 6.18 0.00 0.18 -1.44 107.32 113.00 1sa0 s GLY 379 Ca -0.01 -0.46 -0.18 0.00 0.00 0.00 0.00 44.72 44.07 1sa0 s GLY 379 CO -0.04 0.93 1.27 0.21 0.00 0.00 0.00 173.10 175.47 1sa0 s ASN 380 N 1.78 6.74 -0.08 1.64 3.04 -0.68 -0.32 114.94 127.07 1sa0 s ASN 380 Ca 0.04 -2.24 0.05 0.00 0.04 0.00 0.00 52.86 50.75 1sa0 s ASN 380 Cb -0.13 -2.43 -0.00 0.00 -1.54 0.00 0.00 41.25 37.15 1sa0 s ASN 380 CO -0.07 -1.03 -0.24 -0.55 -3.04 0.00 0.00 177.10 172.16 1sa0 s SER 381 N 3.60 3.01 0.00 -4.21 0.15 -1.26 0.43 113.70 115.41 1sa0 s SER 381 Ca 0.38 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1sa0 s SER 381 Cb -0.03 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1sa0 s SER 381 CO -0.06 0.19 0.67 0.35 1.20 0.00 0.00 173.24 175.59 1sa0 n THR 382 N 3.30 0.77 0.35 6.45 -2.24 -0.79 -0.32 114.28 121.80 1sa0 n THR 382 Ca -0.18 0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1sa0 n THR 382 Cb 0.53 -1.21 0.28 0.00 -2.10 0.00 0.00 70.33 67.83 1sa0 n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa0 h ALA 383 N 1.87 1.00 -0.22 6.98 0.00 -1.77 -2.83 119.26 124.30 1sa0 h ALA 383 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1sa0 h ALA 383 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sa0 h ALA 383 CO 0.00 0.00 0.21 0.97 0.00 0.00 0.00 179.25 180.43 1sa0 h ILE 384 N 0.00 0.54 -0.91 0.00 -0.00 -1.03 -0.49 117.51 115.63 1sa0 h ILE 384 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 64.86 65.12 1sa0 h ILE 384 Cb 0.88 0.83 -0.15 0.00 -0.00 0.00 0.00 36.82 38.38 1sa0 h ILE 384 CO 0.00 0.00 0.24 -0.61 -0.00 0.00 0.00 178.15 177.78 1sa0 h GLN 385 N 0.00 0.15 -0.93 2.19 4.15 -1.71 0.35 115.11 119.31 1sa0 h GLN 385 Ca 0.10 -0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.70 1sa0 h GLN 385 Cb 0.53 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 1sa0 h GLN 385 CO -0.00 0.10 0.60 0.93 -1.93 0.00 0.00 178.83 178.53 1sa0 h GLU 386 N 0.16 0.55 -0.02 1.69 5.08 -1.32 -0.73 114.58 119.99 1sa0 h GLU 386 Ca 0.59 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.90 1sa0 h GLU 386 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sa0 h GLU 386 CO -0.71 0.37 -0.06 1.25 -1.00 0.00 0.00 179.01 178.85 1sa0 h LEU 387 N 0.57 0.08 -1.00 1.33 6.46 -0.47 -2.95 115.31 119.33 1sa0 h LEU 387 Ca 0.49 -0.64 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1sa0 h LEU 387 Cb 0.99 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 1sa0 h LEU 387 CO -0.23 0.71 0.66 -0.26 -0.62 0.00 0.00 178.44 178.70 1sa0 h PHE 388 N -0.54 1.26 -0.96 1.25 0.05 -1.25 -2.41 116.94 114.35 1sa0 h PHE 388 Ca -0.00 0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.86 1sa0 h PHE 388 Cb 0.71 -0.43 -0.06 0.00 2.00 0.00 0.00 35.95 38.17 1sa0 h PHE 388 CO 0.15 0.80 0.62 0.87 -0.18 0.00 0.00 178.31 180.56 1sa0 h LYS 389 N 1.36 1.12 0.00 1.51 1.57 -1.21 -1.25 116.57 119.68 1sa0 h LYS 389 Ca 0.37 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1sa0 h LYS 389 Cb -0.15 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 31.90 1sa0 h LYS 389 CO -0.08 0.74 -0.25 0.07 -0.57 0.00 0.00 179.45 179.37 1sa0 h ARG 390 N 1.16 0.00 0.06 3.15 0.11 -1.25 -1.56 114.38 116.05 1sa0 h ARG 390 Ca 0.40 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.19 1sa0 h ARG 390 Cb 0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.14 1sa0 h ARG 390 CO -0.15 0.25 -1.48 -0.84 0.10 0.00 0.00 179.97 177.84 1sa0 h ILE 391 N 0.00 1.17 0.00 0.08 -0.00 -1.29 -3.25 117.51 114.22 1sa0 h ILE 391 Ca -0.00 -2.89 0.00 0.00 -0.00 0.00 0.00 64.86 61.97 1sa0 h ILE 391 Cb 1.02 2.68 0.00 0.00 -0.00 0.00 0.00 36.82 40.52 1sa0 h ILE 391 CO 0.03 0.77 0.00 -0.24 -0.00 0.00 0.00 178.15 178.71 1sa0 n SER 392 N -3.33 0.66 0.10 2.16 2.88 -0.49 -1.83 113.62 113.77 1sa0 n SER 392 Ca -0.14 0.66 -0.21 0.00 -1.33 0.00 0.00 58.87 57.86 1sa0 n SER 392 Cb 1.02 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 63.56 1sa0 n SER 392 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1sa0 h GLU 393 N 0.00 0.53 0.00 -1.46 4.81 -1.32 -2.56 114.58 114.58 1sa0 h GLU 393 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 1sa0 h GLU 393 Cb 0.36 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1sa0 h GLU 393 CO 0.00 1.34 -0.65 1.96 -0.73 0.00 0.00 179.01 180.93 1sa0 h GLN 394 N 0.22 0.00 0.12 1.92 4.20 -1.58 -3.05 115.11 116.94 1sa0 h GLN 394 Ca -0.18 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1sa0 h GLN 394 Cb 1.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.72 1sa0 h GLN 394 CO 0.23 0.00 -0.06 0.35 -0.67 0.00 0.00 178.83 178.68 1sa0 h PHE 395 N 0.00 -0.15 0.00 2.96 3.57 -1.38 -2.99 116.94 118.94 1sa0 h PHE 395 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1sa0 h PHE 395 Cb 0.90 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1sa0 h PHE 395 CO 0.00 -0.10 0.00 2.41 -2.23 0.00 0.00 178.31 178.39 1sa0 n THR 396 N -3.40 0.98 0.46 4.41 -1.04 -0.97 0.36 114.28 115.08 1sa0 n THR 396 Ca -0.02 0.67 0.13 0.00 -2.04 0.00 0.00 64.05 62.78 1sa0 n THR 396 Cb 0.07 -1.66 0.28 0.00 -1.82 0.00 0.00 70.33 67.20 1sa0 n THR 396 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sa0 h ALA 397 N 2.04 0.93 0.00 2.41 0.00 -1.59 -3.07 119.26 119.98 1sa0 h ALA 397 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1sa0 h ALA 397 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1sa0 h ALA 397 CO 0.00 0.00 -1.57 -1.33 0.00 0.00 0.00 179.25 176.35 1sa0 n MET 398 N -2.55 0.24 0.00 0.00 2.00 0.10 -4.53 117.12 112.38 1sa0 n MET 398 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 57.70 57.89 1sa0 n MET 398 Cb 0.47 -1.07 0.37 0.00 0.00 0.00 0.00 33.22 32.99 1sa0 n MET 398 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1sa0 n PHE 399 N -3.06 0.00 0.00 2.03 7.35 0.16 -1.82 117.46 122.12 1sa0 n PHE 399 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1sa0 n PHE 399 Cb 0.67 -0.33 0.00 0.00 0.35 0.00 0.00 39.48 40.17 1sa0 n PHE 399 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1sa0 n ARG 400 N -1.33 0.00 -1.53 -4.13 0.63 -1.16 -2.91 116.66 106.23 1sa0 n ARG 400 Ca 0.06 0.12 -0.31 0.00 -0.92 0.00 0.00 57.85 56.81 1sa0 n ARG 400 Cb 0.13 -0.73 -0.06 0.00 0.45 0.00 0.00 32.46 32.26 1sa0 n ARG 400 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1sa0 n ARG 401 N -0.35 3.33 -0.45 -0.14 5.12 -1.24 -4.88 116.66 118.05 1sa0 n ARG 401 Ca 0.00 -2.43 0.00 0.00 -1.93 0.00 0.00 57.85 53.49 1sa0 n ARG 401 Cb 0.00 -2.42 0.00 0.00 -1.16 0.00 0.00 32.46 28.88 1sa0 n ARG 401 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1sa0 n LYS 402 N 2.04 0.00 0.00 5.56 4.01 -1.15 -4.93 118.16 123.69 1sa0 n LYS 402 Ca 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.39 1sa0 n LYS 402 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 1sa0 n LYS 402 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sa0 n ALA 403 N 0.45 0.00 0.00 7.82 0.00 -0.76 -4.52 120.51 123.51 1sa0 n ALA 403 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sa0 n ALA 403 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sa0 n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sa0 n PHE 404 N 0.00 0.00 -0.34 0.00 3.01 -1.26 -3.88 117.46 114.98 1sa0 n PHE 404 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 1sa0 n PHE 404 Cb 0.00 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 39.84 1sa0 n PHE 404 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sa0 h LEU 405 N 0.03 0.68 -0.86 4.37 5.85 -1.96 -2.04 115.31 121.38 1sa0 h LEU 405 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1sa0 h LEU 405 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1sa0 h LEU 405 CO 0.00 0.13 0.25 0.00 -0.34 0.00 0.00 178.44 178.48 1sa0 n HIS 406 N -4.87 0.44 0.19 1.25 1.44 -1.25 -0.07 115.22 112.34 1sa0 n HIS 406 Ca 0.26 0.23 0.06 0.00 -2.01 0.00 0.00 57.72 56.25 1sa0 n HIS 406 Cb 0.71 -0.69 0.33 0.00 0.12 0.00 0.00 29.99 30.46 1sa0 n HIS 406 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 1sa0 h TRP 407 N 0.00 0.00 0.00 -1.40 -0.00 -1.71 -2.96 115.95 109.88 1sa0 h TRP 407 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.89 58.66 1sa0 h TRP 407 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.62 1sa0 h TRP 407 CO 0.00 0.38 -1.48 0.66 -0.00 0.00 0.00 178.44 177.99 1sa0 n TYR 408 N -3.53 0.52 -0.25 0.49 4.02 0.90 -3.92 117.16 115.38 1sa0 n TYR 408 Ca -0.00 0.23 0.08 0.00 -0.01 0.00 0.00 57.90 58.19 1sa0 n TYR 408 Cb 0.51 -0.91 0.17 0.00 -0.02 0.00 0.00 39.34 39.09 1sa0 n TYR 408 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sa0 n THR 409 N -4.41 -0.30 -0.26 -0.72 -1.04 -0.98 0.95 114.28 107.51 1sa0 n THR 409 Ca -0.32 1.62 -0.02 0.00 -2.04 0.00 0.00 64.05 63.29 1sa0 n THR 409 Cb 0.64 -2.31 0.17 0.00 -1.82 0.00 0.00 70.33 67.01 1sa0 n THR 409 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1sa0 h GLY 410 N 0.00 1.17 0.59 3.41 0.00 -1.70 -2.41 103.07 104.14 1sa0 h GLY 410 Ca 0.40 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1sa0 h GLY 410 CO -0.71 0.49 0.00 1.18 0.00 0.00 0.00 176.54 177.50 1sa0 n GLU 411 N -4.36 0.97 0.00 4.80 -0.58 0.27 -4.86 120.64 116.88 1sa0 n GLU 411 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sa0 n GLU 411 Cb 0.08 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1sa0 n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sa0 n GLY 412 N 0.74 1.14 3.83 0.62 0.00 -0.91 -4.74 105.19 105.88 1sa0 n GLY 412 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1sa0 n GLY 412 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sa0 s MET 413 N -0.17 3.37 0.05 1.61 -1.94 -1.22 -5.02 119.30 116.00 1sa0 s MET 413 Ca 0.00 0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 54.92 1sa0 s MET 413 Cb 0.00 -2.05 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 1sa0 s MET 413 CO 0.00 -0.75 0.26 0.34 -0.01 0.00 0.00 175.02 174.86 1sa0 s ASP 414 N -3.50 6.42 0.25 3.03 -1.08 -1.26 -4.42 116.67 116.12 1sa0 s ASP 414 Ca 0.59 0.43 -0.03 0.00 -0.52 0.00 0.00 52.55 53.02 1sa0 s ASP 414 Cb -0.13 -2.03 0.49 0.00 -1.46 0.00 0.00 42.92 39.79 1sa0 s ASP 414 CO 0.46 0.18 1.74 -0.08 0.52 0.00 0.00 175.17 177.99 1sa0 h GLU 415 N 3.39 0.48 0.00 4.34 4.57 -1.97 -1.76 114.58 123.62 1sa0 h GLU 415 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1sa0 h GLU 415 Cb 1.18 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1sa0 h GLU 415 CO 0.71 0.32 0.00 0.00 -1.18 0.00 0.00 179.01 178.86 1sa0 n MET 416 N -4.96 0.41 0.10 1.92 0.00 -1.26 -2.63 117.12 110.70 1sa0 n MET 416 Ca 0.15 0.01 0.13 0.00 0.00 0.00 0.00 57.70 57.99 1sa0 n MET 416 Cb 0.43 -1.50 0.44 0.00 0.00 0.00 0.00 33.22 32.59 1sa0 n MET 416 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1sa0 n GLU 417 N -1.28 0.22 -0.07 3.17 2.13 -0.66 -1.27 120.64 122.87 1sa0 n GLU 417 Ca 0.14 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 58.12 1sa0 n GLU 417 Cb 0.23 -1.79 -0.07 0.00 0.27 0.00 0.00 31.44 30.08 1sa0 n GLU 417 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1sa0 h PHE 418 N 0.00 0.00 -0.95 4.31 -1.00 -1.62 -3.14 116.94 114.54 1sa0 h PHE 418 Ca 0.00 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.88 1sa0 h PHE 418 Cb 0.60 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.09 1sa0 h PHE 418 CO 0.00 0.64 0.61 1.79 -1.61 0.00 0.00 178.31 179.74 1sa0 h THR 419 N -1.00 0.97 0.00 -1.55 1.35 -1.63 0.14 112.91 111.19 1sa0 h THR 419 Ca -0.07 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 1sa0 h THR 419 Cb 0.69 -0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1sa0 h THR 419 CO -0.04 0.18 -0.14 -0.08 -0.25 0.00 0.00 175.52 175.18 1sa0 h GLU 420 N 0.97 0.00 0.06 4.72 4.81 -1.32 0.20 114.58 124.02 1sa0 h GLU 420 Ca 0.44 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.51 1sa0 h GLU 420 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1sa0 h GLU 420 CO -0.20 0.14 -0.82 0.00 -0.73 0.00 0.00 179.01 177.39 1sa0 h ALA 421 N 1.86 0.08 -0.46 2.92 0.00 -1.00 -3.05 119.26 119.61 1sa0 h ALA 421 Ca -0.00 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 54.14 1sa0 h ALA 421 Cb 0.28 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1sa0 h ALA 421 CO 0.02 0.45 0.11 1.49 0.00 0.00 0.00 179.25 181.32 1sa0 h GLU 422 N -0.66 0.25 -0.37 0.00 4.81 -0.85 -1.34 114.58 116.43 1sa0 h GLU 422 Ca -0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1sa0 h GLU 422 Cb 1.42 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1sa0 h GLU 422 CO 0.01 0.16 0.24 0.77 -0.73 0.00 0.00 179.01 179.47 1sa0 h SER 423 N 0.26 0.42 -0.70 1.04 0.02 -0.75 -1.91 113.55 111.92 1sa0 h SER 423 Ca 0.23 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1sa0 h SER 423 Cb 0.28 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1sa0 h SER 423 CO -0.28 0.30 0.46 -1.13 -1.14 0.00 0.00 176.83 175.04 1sa0 h ASN 424 N 0.50 0.77 -0.56 3.07 -0.73 -1.35 -3.11 115.58 114.18 1sa0 h ASN 424 Ca 0.13 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 1sa0 h ASN 424 Cb -0.06 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 1sa0 h ASN 424 CO -0.03 0.55 0.13 -0.03 -0.37 0.00 0.00 177.43 177.68 1sa0 h MET 425 N 0.92 0.90 0.00 6.67 4.05 -0.84 -2.85 114.93 123.78 1sa0 h MET 425 Ca 0.27 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1sa0 h MET 425 Cb -0.06 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1sa0 h MET 425 CO -0.08 0.84 -0.25 -0.91 0.23 0.00 0.00 176.91 176.75 1sa0 h ASN 426 N 0.80 0.00 -0.35 1.39 2.35 -1.35 -2.08 115.58 116.34 1sa0 h ASN 426 Ca 0.17 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1sa0 h ASN 426 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1sa0 h ASN 426 CO 0.00 0.25 0.03 0.44 -1.65 0.00 0.00 177.43 176.50 1sa0 h ASP 427 N 0.00 0.57 -0.71 5.81 3.45 -1.44 0.31 116.42 124.42 1sa0 h ASP 427 Ca -0.00 -0.28 0.17 0.00 0.43 0.00 0.00 57.03 57.35 1sa0 h ASP 427 Cb 0.51 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.09 1sa0 h ASP 427 CO 0.03 0.71 0.49 0.25 -1.57 0.00 0.00 179.24 179.15 1sa0 h LEU 428 N 0.41 0.21 0.05 1.55 5.85 -1.18 0.44 115.31 122.63 1sa0 h LEU 428 Ca 0.10 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 1sa0 h LEU 428 Cb 0.39 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.41 1sa0 h LEU 428 CO 0.01 0.10 -0.74 0.58 -0.34 0.00 0.00 178.44 178.06 1sa0 h VAL 429 N 0.22 1.43 0.00 1.05 2.07 -1.30 -2.69 116.25 117.02 1sa0 h VAL 429 Ca 0.34 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1sa0 h VAL 429 Cb 1.04 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1sa0 h VAL 429 CO -0.07 0.65 0.00 -1.20 0.02 0.00 0.00 177.57 176.97 1sa0 n SER 430 N -4.14 0.00 -0.09 0.57 7.64 0.11 -1.01 113.62 116.72 1sa0 n SER 430 Ca -0.12 -0.54 -0.15 0.00 1.01 0.00 0.00 58.87 59.07 1sa0 n SER 430 Cb 0.75 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 1sa0 n SER 430 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sa0 n GLU 431 N -1.02 0.40 -0.11 1.43 1.02 0.95 -3.89 120.64 119.41 1sa0 n GLU 431 Ca 0.14 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1sa0 n GLU 431 Cb 0.07 -1.23 0.28 0.00 -0.02 0.00 0.00 31.44 30.53 1sa0 n GLU 431 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1sa0 h TYR 432 N -0.30 0.77 0.00 -0.32 0.99 -1.23 -0.33 116.97 116.54 1sa0 h TYR 432 Ca -0.41 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1sa0 h TYR 432 Cb 1.49 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 38.97 1sa0 h TYR 432 CO -0.02 0.56 0.00 0.94 -0.00 0.00 0.00 178.16 179.64 1sa0 n GLN 433 N -4.38 0.17 0.07 4.88 -0.06 -0.18 -2.76 117.38 115.13 1sa0 n GLN 433 Ca 0.05 0.22 -0.03 0.00 -2.00 0.00 0.00 57.00 55.24 1sa0 n GLN 433 Cb 0.12 -1.73 -0.07 0.00 -4.06 0.00 0.00 30.24 24.49 1sa0 n GLN 433 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1sa0 h GLN 434 N 0.00 0.00 -0.89 3.69 4.20 -1.18 -3.32 115.11 117.60 1sa0 h GLN 434 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1sa0 h GLN 434 Cb 0.56 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.19 1sa0 h GLN 434 CO 0.00 0.67 0.33 0.66 -0.67 0.00 0.00 178.83 179.83 1sa0 n TYR 435 N -3.20 2.10 -2.68 2.96 0.53 -0.96 -3.95 117.16 111.96 1sa0 n TYR 435 Ca -0.03 -1.20 -0.36 0.00 -1.02 0.00 0.00 57.90 55.29 1sa0 n TYR 435 Cb 0.88 -0.66 0.00 0.00 -1.03 0.00 0.00 39.34 38.53 1sa0 n TYR 435 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1sa0 n GLN 436 N -0.34 4.52 0.00 -0.72 6.02 -1.25 -4.92 117.38 120.69 1sa0 n GLN 436 Ca 0.38 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.72 1sa0 n GLN 436 Cb 1.26 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1sa0 n GLN 436 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sa0 n ASP 437 N -0.17 0.00 0.00 1.08 10.43 -1.25 -5.12 116.55 121.51 1sa0 n ASP 437 Ca 0.42 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.78 1sa0 n ASP 437 Cb 0.31 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.27 1sa0 n ASP 437 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13