#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa1 s GLU 3 N 0.00 0.01 0.14 5.56 2.02 -1.08 -4.85 118.70 120.50 1sa1 s GLU 3 Ca 0.00 0.01 0.11 0.00 0.02 0.00 0.00 54.97 55.11 1sa1 s GLU 3 Cb 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 1sa1 s GLU 3 CO 0.00 -0.00 -0.25 -1.50 0.02 0.00 0.00 175.26 173.53 1sa1 s ILE 4 N 1.02 2.40 0.17 -1.63 2.07 -1.03 0.60 121.20 124.81 1sa1 s ILE 4 Ca -0.08 -1.76 0.06 0.00 -1.41 0.00 0.00 60.65 57.46 1sa1 s ILE 4 Cb -0.02 -2.09 -0.04 0.00 0.13 0.00 0.00 42.46 40.44 1sa1 s ILE 4 CO -0.09 0.05 -0.13 0.68 -1.91 0.00 0.00 174.94 173.54 1sa1 s VAL 5 N -1.19 1.48 -0.03 4.00 -7.23 -1.12 -4.52 120.40 111.78 1sa1 s VAL 5 Ca 0.16 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1sa1 s VAL 5 Cb -0.10 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.96 1sa1 s VAL 5 CO 0.08 -0.62 -0.06 -2.28 -0.31 0.00 0.00 175.10 171.91 1sa1 s HIS 6 N -2.95 0.75 -0.09 2.82 2.46 -1.03 -2.68 115.29 114.57 1sa1 s HIS 6 Ca 0.18 -0.19 0.02 0.00 0.47 0.00 0.00 55.06 55.54 1sa1 s HIS 6 Cb -0.00 -0.61 -0.02 0.00 -0.13 0.00 0.00 32.58 31.82 1sa1 s HIS 6 CO 0.04 -0.14 -0.16 0.42 -2.47 0.00 0.00 174.74 172.43 1sa1 s ILE 7 N 0.56 2.85 -0.34 0.89 1.01 0.45 -1.11 121.20 125.50 1sa1 s ILE 7 Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 1sa1 s ILE 7 Cb -0.11 -2.15 0.12 0.00 0.01 0.00 0.00 42.46 40.33 1sa1 s ILE 7 CO 0.00 0.55 0.17 -1.58 0.00 0.00 0.00 174.94 174.09 1sa1 s GLN 8 N -0.05 0.63 -0.02 2.79 0.74 0.38 -1.25 119.66 122.88 1sa1 s GLN 8 Ca -0.04 -1.19 0.03 0.00 0.05 0.00 0.00 55.36 54.21 1sa1 s GLN 8 Cb -0.14 -1.61 -0.00 0.00 1.10 0.00 0.00 33.01 32.35 1sa1 s GLN 8 CO 0.04 -1.10 -0.11 0.00 -0.55 0.00 0.00 175.29 173.57 1sa1 s ALA 9 N 1.33 0.96 0.00 1.58 0.00 -0.64 -2.24 121.76 122.74 1sa1 s ALA 9 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1sa1 s ALA 9 Cb -0.20 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1sa1 s ALA 9 CO -0.15 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1sa1 n GLY 10 N 3.05 0.11 0.03 0.00 0.00 -0.84 -4.08 105.19 103.46 1sa1 n GLY 10 Ca -0.16 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 44.85 1sa1 n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa1 n GLN 11 N 2.33 -0.01 0.09 1.61 7.27 -1.26 0.16 117.38 127.57 1sa1 n GLN 11 Ca 0.00 0.13 -0.04 0.00 0.07 0.00 0.00 57.00 57.16 1sa1 n GLN 11 Cb 0.00 -0.19 -0.02 0.00 2.41 0.00 0.00 30.24 32.44 1sa1 n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sa1 n GLY 13 N 0.10 -0.66 0.19 0.00 0.00 0.42 -0.24 105.19 105.00 1sa1 n GLY 13 Ca -0.03 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 1sa1 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sa1 h ASN 14 N 0.00 -0.34 -0.94 1.61 4.21 -0.82 -1.80 115.58 117.51 1sa1 h ASN 14 Ca 0.69 -0.19 0.05 0.00 1.21 0.00 0.00 56.30 58.06 1sa1 h ASN 14 Cb 2.25 0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 39.48 1sa1 h ASN 14 CO -0.34 0.13 0.60 -0.61 -1.29 0.00 0.00 177.43 175.92 1sa1 h GLN 15 N -0.94 1.11 -0.81 0.81 4.15 -0.01 0.47 115.11 119.89 1sa1 h GLN 15 Ca -0.04 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.42 1sa1 h GLN 15 Cb 0.50 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 27.87 1sa1 h GLN 15 CO 0.07 0.73 0.45 0.97 -1.93 0.00 0.00 178.83 179.12 1sa1 h ILE 16 N 1.14 0.87 0.22 2.39 2.10 -0.72 0.29 117.51 123.80 1sa1 h ILE 16 Ca 0.39 -0.25 -0.33 0.00 1.08 0.00 0.00 64.86 65.75 1sa1 h ILE 16 Cb 0.07 0.07 0.03 0.00 -1.09 0.00 0.00 36.82 35.90 1sa1 h ILE 16 CO -0.14 0.13 -1.42 1.23 -1.08 0.00 0.00 178.15 176.87 1sa1 h GLY 17 N 0.73 0.59 0.90 8.18 0.00 -0.33 0.19 103.07 113.33 1sa1 h GLY 17 Ca 0.40 -1.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.22 1sa1 h GLY 17 CO -0.27 1.29 -0.39 0.00 0.00 0.00 0.00 176.54 177.17 1sa1 h ALA 18 N 0.23 -1.08 -0.63 3.60 0.00 0.33 1.15 119.26 122.85 1sa1 h ALA 18 Ca -0.23 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.57 1sa1 h ALA 18 Cb 2.12 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 20.29 1sa1 h ALA 18 CO 0.26 -1.05 0.43 1.57 0.00 0.00 0.00 179.25 180.47 1sa1 h LYS 19 N -1.20 0.25 0.00 0.00 2.10 -0.51 0.73 116.57 117.95 1sa1 h LYS 19 Ca -0.11 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1sa1 h LYS 19 Cb 0.84 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1sa1 h LYS 19 CO 0.18 0.16 0.00 0.34 -2.00 0.00 0.00 179.45 178.14 1sa1 n PHE 20 N -4.44 0.00 -0.33 0.07 -0.00 0.66 -2.66 117.46 110.76 1sa1 n PHE 20 Ca 0.12 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.70 1sa1 n PHE 20 Cb 0.52 -0.35 0.28 0.00 -0.00 0.00 0.00 39.48 39.93 1sa1 n PHE 20 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 1sa1 h TRP 21 N 0.00 -0.01 0.00 -5.13 4.06 0.35 1.14 115.95 116.36 1sa1 h TRP 21 Ca 0.00 0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 1sa1 h TRP 21 Cb 0.00 0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1sa1 h TRP 21 CO 0.08 -0.40 -0.06 1.05 -3.56 0.00 0.00 178.44 175.55 1sa1 h GLU 22 N 0.03 0.00 0.03 0.49 4.11 -1.08 0.10 114.58 118.25 1sa1 h GLU 22 Ca 0.58 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.90 1sa1 h GLU 22 Cb 1.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1sa1 h GLU 22 CO -0.88 0.06 -0.47 -0.24 0.07 0.00 0.00 179.01 177.55 1sa1 h VAL 23 N 0.00 1.51 -0.12 -1.06 3.04 0.16 -3.19 116.25 116.58 1sa1 h VAL 23 Ca -0.00 -2.13 -0.16 0.00 -1.01 0.00 0.00 66.70 63.39 1sa1 h VAL 23 Cb 0.74 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1sa1 h VAL 23 CO 0.01 0.60 -0.62 0.16 -1.01 0.00 0.00 177.57 176.70 1sa1 h ILE 24 N -0.36 1.35 -0.56 3.17 3.07 -1.35 -3.00 117.51 119.82 1sa1 h ILE 24 Ca -0.07 -1.95 0.00 0.00 1.55 0.00 0.00 64.86 64.40 1sa1 h ILE 24 Cb 1.24 1.94 -0.03 0.00 -0.27 0.00 0.00 36.82 39.70 1sa1 h ILE 24 CO 0.09 0.59 0.36 0.28 -1.05 0.00 0.00 178.15 178.43 1sa1 h SER 25 N 0.32 0.66 -0.20 2.16 0.02 -0.90 0.16 113.55 115.76 1sa1 h SER 25 Ca -0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1sa1 h SER 25 Cb 1.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1sa1 h SER 25 CO 0.11 0.49 0.00 -0.67 -1.14 0.00 0.00 176.83 175.62 1sa1 n ASP 26 N -4.68 1.08 0.05 3.07 -0.08 -1.20 -1.31 116.55 113.48 1sa1 n ASP 26 Ca 0.04 -1.99 -0.13 0.00 -1.51 0.00 0.00 54.79 51.19 1sa1 n ASP 26 Cb 0.03 -0.13 -0.14 0.00 2.34 0.00 0.00 41.12 43.22 1sa1 n ASP 26 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1sa1 h GLU 27 N 1.19 0.16 -0.01 -0.67 4.81 -0.83 -3.34 114.58 115.88 1sa1 h GLU 27 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1sa1 h GLU 27 Cb 0.27 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1sa1 h GLU 27 CO 0.00 0.99 -0.38 0.72 -0.73 0.00 0.00 179.01 179.61 1sa1 n HIS 28 N -3.37 0.00 -1.79 0.92 8.25 -0.80 -4.94 115.22 113.49 1sa1 n HIS 28 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1sa1 n HIS 28 Cb 1.02 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.10 1sa1 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sa1 n GLY 29 N 1.39 0.64 3.51 -1.41 0.00 -0.43 -4.79 105.19 104.10 1sa1 n GLY 29 Ca 0.11 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1sa1 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sa1 s ILE 30 N -2.99 3.35 0.51 -0.61 1.09 -0.99 -2.20 121.20 119.36 1sa1 s ILE 30 Ca 0.00 -0.61 0.01 0.00 -1.10 0.00 0.00 60.65 58.95 1sa1 s ILE 30 Cb 0.00 -2.35 0.02 0.00 -1.06 0.00 0.00 42.46 39.07 1sa1 s ILE 30 CO 0.00 0.59 0.74 -1.81 -0.10 0.00 0.00 174.94 174.36 1sa1 s ASP 31 N -0.65 5.51 0.40 3.58 1.01 -1.21 -4.58 116.67 120.73 1sa1 s ASP 31 Ca 0.10 0.14 0.25 0.00 0.71 0.00 0.00 52.55 53.75 1sa1 s ASP 31 Cb -0.11 -1.18 1.39 0.00 1.01 0.00 0.00 42.92 44.04 1sa1 s ASP 31 CO 0.01 -0.97 1.59 -0.65 0.21 0.00 0.00 175.17 175.36 1sa1 h PRO 32 N 0.19 0.02 0.00 8.23 0.11 -1.95 -3.19 132.00 135.41 1sa1 h PRO 32 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sa1 h PRO 32 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1sa1 h PRO 32 CO 0.55 0.01 -0.09 2.41 -0.21 0.00 0.00 178.00 180.67 1sa1 n THR 33 N -5.04 1.01 -0.31 -1.15 -1.04 -1.26 -2.40 114.28 104.09 1sa1 n THR 33 Ca 0.39 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.73 1sa1 n THR 33 Cb 1.38 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1sa1 n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sa1 n GLY 34 N 3.27 0.00 0.00 3.41 0.00 -1.21 -3.67 105.19 107.00 1sa1 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sa1 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sa1 n SER 35 N 1.24 0.00 -4.82 1.61 3.41 -1.26 -3.42 113.62 110.38 1sa1 n SER 35 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1sa1 n SER 35 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1sa1 n SER 35 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sa1 s TYR 36 N 3.50 3.72 -0.38 7.33 6.14 -1.24 -3.32 117.35 133.09 1sa1 s TYR 36 Ca 0.00 1.19 0.12 0.00 0.64 0.00 0.00 57.07 59.02 1sa1 s TYR 36 Cb 0.00 -2.45 0.40 0.00 0.42 0.00 0.00 41.96 40.34 1sa1 s TYR 36 CO 0.00 0.52 1.18 0.72 0.64 0.00 0.00 175.55 178.61 1sa1 n HIS 37 N 1.33 -1.27 -3.31 4.97 8.25 -0.93 -5.02 115.22 119.25 1sa1 n HIS 37 Ca -0.08 -2.30 -0.11 0.00 -0.26 0.00 0.00 57.72 54.97 1sa1 n HIS 37 Cb 0.51 0.90 -0.06 0.00 1.12 0.00 0.00 29.99 32.47 1sa1 n HIS 37 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sa1 s GLY 38 N -1.86 -0.43 0.00 -1.41 0.00 -1.26 -4.95 107.32 97.40 1sa1 s GLY 38 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1sa1 s GLY 38 CO -0.05 3.03 0.00 1.22 0.00 0.00 0.00 173.10 177.31 1sa1 n ASP 39 N 4.43 0.00 -4.79 1.64 10.43 -1.26 -4.51 116.55 122.49 1sa1 n ASP 39 Ca 0.10 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.10 1sa1 n ASP 39 Cb 0.49 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.37 1sa1 n ASP 39 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1sa1 s SER 40 N 0.81 6.08 -0.14 -2.24 1.04 -1.26 -5.08 113.70 112.91 1sa1 s SER 40 Ca 0.00 0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.49 1sa1 s SER 40 Cb 0.00 -1.97 -0.23 0.00 0.10 0.00 0.00 66.02 63.92 1sa1 s SER 40 CO 0.00 0.33 0.66 -0.78 0.98 0.00 0.00 173.24 174.43 1sa1 h ASP 41 N 5.58 0.00 0.00 7.02 1.82 -2.04 -3.43 116.42 125.38 1sa1 h ASP 41 Ca -0.49 -0.88 0.00 0.00 -0.39 0.00 0.00 57.03 55.27 1sa1 h ASP 41 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1sa1 h ASP 41 CO 0.63 0.99 0.00 0.18 -1.61 0.00 0.00 179.24 179.43 1sa1 n LEU 42 N -4.61 0.00 0.00 2.28 7.99 -1.26 -3.78 117.00 117.62 1sa1 n LEU 42 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 1sa1 n LEU 42 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1sa1 n LEU 42 CO 0.30 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.18 1sa1 n GLN 43 N 0.00 0.00 0.24 3.23 6.02 -1.26 -1.75 117.38 123.85 1sa1 n GLN 43 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1sa1 n GLN 43 Cb 0.00 0.00 0.52 0.00 1.02 0.00 0.00 30.24 31.78 1sa1 n GLN 43 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1sa1 h LEU 44 N 0.00 0.00 -0.71 1.08 5.85 -1.88 -3.26 115.31 116.40 1sa1 h LEU 44 Ca 0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 1sa1 h LEU 44 Cb 0.00 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 40.90 1sa1 h LEU 44 CO 0.00 0.15 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.68 1sa1 h GLU 47 N 0.00 -0.05 -0.02 1.25 4.39 -1.63 -1.04 114.58 117.49 1sa1 h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sa1 h GLU 47 Cb 0.68 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1sa1 h GLU 47 CO 0.02 -0.03 -0.32 0.54 -1.16 0.00 0.00 179.01 178.06 1sa1 n ARG 48 N -5.47 1.35 -0.48 2.33 5.12 -1.25 -4.18 116.66 114.07 1sa1 n ARG 48 Ca 0.08 -1.05 0.39 0.00 -1.93 0.00 0.00 57.85 55.35 1sa1 n ARG 48 Cb 0.37 -1.48 0.65 0.00 -1.16 0.00 0.00 32.46 30.85 1sa1 n ARG 48 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1sa1 n ILE 49 N 0.09 -0.19 0.00 0.55 5.41 -0.39 0.11 119.36 124.94 1sa1 n ILE 49 Ca 0.11 1.61 0.00 0.00 1.00 0.00 0.00 62.75 65.48 1sa1 n ILE 49 Cb 0.46 -2.65 0.00 0.00 -0.71 0.00 0.00 39.64 36.74 1sa1 n ILE 49 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1sa1 n ASN 50 N -4.41 0.00 0.30 4.38 5.15 -1.26 -1.39 115.26 118.02 1sa1 n ASN 50 Ca 0.38 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.54 1sa1 n ASN 50 Cb 1.53 0.00 0.97 0.00 -0.53 0.00 0.00 39.78 41.75 1sa1 n ASN 50 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1sa1 h VAL 51 N 0.00 0.00 0.00 3.44 2.07 0.48 -2.89 116.25 119.35 1sa1 h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sa1 h VAL 51 Cb 0.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1sa1 h VAL 51 CO 0.00 0.00 -0.17 -1.22 0.02 0.00 0.00 177.57 176.20 1sa1 n TYR 52 N -2.83 0.00 -3.80 1.57 4.02 -0.99 -2.46 117.16 112.68 1sa1 n TYR 52 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 1sa1 n TYR 52 Cb 0.15 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.31 1sa1 n TYR 52 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1sa1 s TYR 53 N -1.02 1.79 0.27 -0.72 1.51 -0.49 -2.53 117.35 116.16 1sa1 s TYR 53 Ca 0.00 -1.56 -0.29 0.00 -1.01 0.00 0.00 57.07 54.21 1sa1 s TYR 53 Cb 0.00 -1.55 -0.10 0.00 -0.11 0.00 0.00 41.96 40.20 1sa1 s TYR 53 CO 0.00 -0.78 1.31 1.21 -1.11 0.00 0.00 175.55 176.18 1sa1 s ASN 54 N 1.59 6.84 -0.23 2.29 3.84 -1.16 -4.50 114.94 123.62 1sa1 s ASN 54 Ca 0.03 2.55 0.01 0.00 0.21 0.00 0.00 52.86 55.66 1sa1 s ASN 54 Cb -0.18 -2.63 0.04 0.00 -0.55 0.00 0.00 41.25 37.93 1sa1 s ASN 54 CO -0.15 -0.52 -0.13 -1.83 -2.79 0.00 0.00 177.10 171.68 1sa1 s GLU 55 N -0.96 2.61 0.15 0.43 4.04 -1.26 -4.07 118.70 119.64 1sa1 s GLU 55 Ca 0.53 -1.10 0.00 0.00 0.04 0.00 0.00 54.97 54.44 1sa1 s GLU 55 Cb -0.38 -2.80 0.03 0.00 0.02 0.00 0.00 34.13 31.00 1sa1 s GLU 55 CO 0.45 -0.41 0.20 0.00 -1.84 0.00 0.00 175.26 173.66 1sa1 n ALA 56 N 4.54 0.07 -1.31 -0.84 0.00 -1.26 -5.03 120.51 116.67 1sa1 n ALA 56 Ca -0.17 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 1sa1 n ALA 56 Cb 0.46 0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1sa1 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 n ALA 57 N -2.97 -2.67 -0.95 0.00 0.00 -1.26 -4.59 120.51 108.07 1sa1 n ALA 57 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1sa1 n ALA 57 Cb 0.12 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1sa1 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa1 n GLY 58 N 2.28 3.36 0.00 0.00 0.00 -1.26 -4.15 105.19 105.42 1sa1 n GLY 58 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sa1 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sa1 n ASN 59 N 4.52 0.00 0.00 1.61 2.85 -1.26 -5.04 115.26 117.94 1sa1 n ASN 59 Ca 0.00 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1sa1 n ASN 59 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1sa1 n ASN 59 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1sa1 n LYS 60 N -0.08 0.00 0.00 1.20 5.02 -1.26 -4.78 118.16 118.26 1sa1 n LYS 60 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1sa1 n LYS 60 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1sa1 n LYS 60 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sa1 n TYR 61 N 0.00 0.00 -0.84 2.13 0.53 -1.24 -4.36 117.16 113.38 1sa1 n TYR 61 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1sa1 n TYR 61 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 1sa1 n TYR 61 CO 0.00 0.00 0.00 1.55 -1.02 0.00 0.00 176.86 177.39 1sa1 n VAL 62 N -1.29 0.00 -2.26 -0.72 3.14 -1.26 -4.09 118.33 111.85 1sa1 n VAL 62 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 1sa1 n VAL 62 Cb 0.12 -0.53 -0.02 0.00 -1.06 0.00 0.00 33.84 32.36 1sa1 n VAL 62 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1sa1 s PRO 63 N 0.00 3.97 -1.25 1.45 0.04 -1.26 -2.96 135.00 134.99 1sa1 s PRO 63 Ca 0.00 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1sa1 s PRO 63 Cb 0.00 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1sa1 s PRO 63 CO 0.00 -0.39 1.84 0.54 0.04 0.00 0.00 177.00 179.03 1sa1 n ARG 64 N -0.06 2.52 -4.20 4.56 1.74 -1.05 -4.77 116.66 115.40 1sa1 n ARG 64 Ca 0.05 -2.90 -0.16 0.00 -0.77 0.00 0.00 57.85 54.07 1sa1 n ARG 64 Cb 0.47 -3.56 -0.14 0.00 -1.02 0.00 0.00 32.46 28.20 1sa1 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sa1 s ALA 65 N 6.83 0.51 -0.10 7.54 0.00 -1.26 -2.46 121.76 132.81 1sa1 s ALA 65 Ca 0.59 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1sa1 s ALA 65 Cb 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1sa1 s ALA 65 CO 0.10 0.12 -0.21 -1.50 0.00 0.00 0.00 175.76 174.26 1sa1 s ILE 66 N -0.20 1.85 -0.21 0.00 2.07 -0.27 -4.89 121.20 119.54 1sa1 s ILE 66 Ca 0.02 -0.88 -0.06 0.00 -1.41 0.00 0.00 60.65 58.31 1sa1 s ILE 66 Cb -0.03 -1.62 -0.03 0.00 0.13 0.00 0.00 42.46 40.91 1sa1 s ILE 66 CO -0.00 0.51 0.04 -0.76 -1.91 0.00 0.00 174.94 172.82 1sa1 s LEU 67 N 0.53 3.45 -0.03 8.50 1.43 -0.93 -0.47 118.68 131.16 1sa1 s LEU 67 Ca -0.15 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1sa1 s LEU 67 Cb -0.17 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1sa1 s LEU 67 CO 0.05 0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.94 1sa1 s VAL 68 N 1.05 0.57 0.20 -1.59 1.01 -0.95 -0.37 120.40 120.33 1sa1 s VAL 68 Ca 0.03 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1sa1 s VAL 68 Cb -0.14 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1sa1 s VAL 68 CO 0.02 0.21 0.56 -0.62 0.00 0.00 0.00 175.10 175.27 1sa1 s ASP 69 N 0.52 -0.31 -0.22 3.32 -1.08 -1.14 -1.99 116.67 115.76 1sa1 s ASP 69 Ca -0.07 -0.41 0.14 0.00 -0.52 0.00 0.00 52.55 51.69 1sa1 s ASP 69 Cb -0.11 0.60 0.56 0.00 -1.46 0.00 0.00 42.92 42.51 1sa1 s ASP 69 CO 0.00 -1.08 1.49 0.18 0.52 0.00 0.00 175.17 176.28 1sa1 n LEU 70 N -0.36 4.25 -3.63 -1.34 4.32 -1.26 -0.66 117.00 118.31 1sa1 n LEU 70 Ca -0.10 -3.20 -0.12 0.00 -0.02 0.00 0.00 56.01 52.56 1sa1 n LEU 70 Cb 0.62 -0.59 -0.07 0.00 -1.62 0.00 0.00 43.42 41.76 1sa1 n LEU 70 CO 0.16 0.81 0.40 -1.83 -1.22 0.00 0.00 177.39 175.71 1sa1 s GLU 71 N -2.94 0.80 0.00 3.23 -1.05 -1.26 -4.12 118.70 113.36 1sa1 s GLU 71 Ca 0.45 1.05 0.00 0.00 -0.15 0.00 0.00 54.97 56.32 1sa1 s GLU 71 Cb 0.37 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.40 1sa1 s GLU 71 CO 0.08 -0.11 0.00 -2.30 0.95 0.00 0.00 175.26 173.87 1sa1 n PRO 72 N 3.12 0.00 0.00 -4.83 -0.02 -1.26 -4.29 135.00 127.73 1sa1 n PRO 72 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1sa1 n PRO 72 Cb 0.56 -0.34 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 1sa1 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sa1 n GLY 73 N 0.00 0.01 0.30 -1.23 0.00 -1.26 -2.58 105.19 100.43 1sa1 n GLY 73 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1sa1 n GLY 73 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sa1 h THR 74 N 0.00 0.21 0.00 2.61 1.35 -1.99 -1.18 112.91 113.91 1sa1 h THR 74 Ca 0.00 -0.25 -0.09 0.00 -0.55 0.00 0.00 66.41 65.51 1sa1 h THR 74 Cb 0.00 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1sa1 h THR 74 CO 0.00 0.03 -0.36 0.24 -0.25 0.00 0.00 175.52 175.18 1sa1 h MET 75 N 0.00 0.24 0.00 4.72 2.86 -1.78 -3.27 114.93 117.69 1sa1 h MET 75 Ca -0.00 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1sa1 h MET 75 Cb 0.20 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1sa1 h MET 75 CO 0.00 0.98 0.00 -0.25 1.06 0.00 0.00 176.91 178.71 1sa1 n ASP 76 N -4.42 0.00 0.03 1.22 9.92 -0.49 0.78 116.55 123.60 1sa1 n ASP 76 Ca -0.10 -0.13 0.08 0.00 -0.53 0.00 0.00 54.79 54.11 1sa1 n ASP 76 Cb 0.56 -0.04 -0.09 0.00 -0.64 0.00 0.00 41.12 40.92 1sa1 n ASP 76 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1sa1 n SER 77 N -1.04 0.48 -0.08 -2.24 7.64 -0.95 -2.93 113.62 114.51 1sa1 n SER 77 Ca 0.04 0.19 -0.22 0.00 1.01 0.00 0.00 58.87 59.90 1sa1 n SER 77 Cb 0.02 1.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.10 1sa1 n SER 77 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sa1 h VAL 78 N 0.00 0.84 -0.14 0.44 2.07 0.27 -3.40 116.25 116.33 1sa1 h VAL 78 Ca -0.07 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1sa1 h VAL 78 Cb 1.20 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 33.20 1sa1 h VAL 78 CO 0.01 0.46 -0.26 -0.09 0.02 0.00 0.00 177.57 177.71 1sa1 h ARG 79 N -0.73 -0.31 -5.44 1.57 2.43 -0.29 -3.25 114.38 108.36 1sa1 h ARG 79 Ca -0.37 0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.21 1sa1 h ARG 79 Cb 1.49 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.99 1sa1 h ARG 79 CO -0.13 -0.21 0.09 -1.12 -1.51 0.00 0.00 179.97 177.09 1sa1 s SER 80 N -4.97 6.51 0.00 -3.80 0.01 -1.15 -4.40 113.70 105.91 1sa1 s SER 80 Ca -0.15 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1sa1 s SER 80 Cb 0.11 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1sa1 s SER 80 CO 0.67 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1sa1 n GLY 81 N 4.27 0.50 0.00 3.44 0.00 -1.23 -4.30 105.19 107.87 1sa1 n GLY 81 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1sa1 n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sa1 n PRO 82 N 0.00 0.00 -2.83 1.61 -0.04 -1.26 -3.96 135.00 128.52 1sa1 n PRO 82 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1sa1 n PRO 82 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1sa1 n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sa1 n PHE 83 N 0.00 3.20 -0.02 0.54 0.99 -1.26 -4.78 117.46 116.13 1sa1 n PHE 83 Ca 0.00 -2.92 -0.16 0.00 -0.00 0.00 0.00 57.45 54.37 1sa1 n PHE 83 Cb 0.00 -1.65 -0.12 0.00 -1.00 0.00 0.00 39.48 36.71 1sa1 n PHE 83 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1sa1 h GLY 84 N 6.87 0.20 0.32 1.37 0.00 -1.69 -3.30 103.07 106.84 1sa1 h GLY 84 Ca 0.27 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1sa1 h GLY 84 CO 1.38 0.32 0.00 -1.06 0.00 0.00 0.00 176.54 177.18 1sa1 n GLN 85 N -4.47 0.45 -0.04 4.80 1.13 -1.26 -3.56 117.38 114.43 1sa1 n GLN 85 Ca -0.10 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.78 1sa1 n GLN 85 Cb 0.54 -1.16 -0.13 0.00 0.11 0.00 0.00 30.24 29.59 1sa1 n GLN 85 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1sa1 h ILE 86 N 0.00 1.42 -3.80 5.09 2.04 -1.55 -3.41 117.51 117.30 1sa1 h ILE 86 Ca 0.00 -2.37 -0.50 0.00 1.00 0.00 0.00 64.86 62.99 1sa1 h ILE 86 Cb 0.00 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1sa1 h ILE 86 CO 0.00 0.59 0.43 -0.36 0.00 0.00 0.00 178.15 178.81 1sa1 s PHE 87 N -2.34 3.70 0.25 1.37 2.99 -1.23 -4.59 117.98 118.13 1sa1 s PHE 87 Ca -0.20 1.77 -0.30 0.00 0.00 0.00 0.00 56.93 58.21 1sa1 s PHE 87 Cb 0.01 -3.17 -0.09 0.00 0.00 0.00 0.00 43.02 39.77 1sa1 s PHE 87 CO 0.72 -0.20 1.24 0.50 -0.00 0.00 0.00 175.22 177.47 1sa1 s ARG 88 N -1.42 4.45 0.16 0.44 3.52 -1.26 -4.96 118.95 119.89 1sa1 s ARG 88 Ca 0.44 2.01 -0.14 0.00 -0.13 0.00 0.00 55.73 57.91 1sa1 s ARG 88 Cb -0.29 -3.17 0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1sa1 s ARG 88 CO 0.37 -0.10 1.79 -1.35 -0.81 0.00 0.00 175.30 175.20 1sa1 h PRO 89 N 4.45 0.69 0.00 5.12 0.11 -1.98 -1.44 132.00 138.95 1sa1 h PRO 89 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sa1 h PRO 89 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sa1 h PRO 89 CO 0.71 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.61 1sa1 n ASP 90 N -4.68 0.00 0.02 -2.05 5.68 -1.26 -1.86 116.55 112.40 1sa1 n ASP 90 Ca 0.02 -0.93 0.12 0.00 -0.50 0.00 0.00 54.79 53.50 1sa1 n ASP 90 Cb 0.06 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.22 1sa1 n ASP 90 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sa1 n ASN 91 N -0.75 0.59 -4.74 -1.12 4.13 -0.54 -4.84 115.26 107.98 1sa1 n ASN 91 Ca 0.07 -0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.72 1sa1 n ASN 91 Cb 0.03 0.36 -0.05 0.00 -1.54 0.00 0.00 39.78 38.59 1sa1 n ASN 91 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1sa1 s PHE 92 N -3.07 3.88 -0.55 3.10 0.40 -0.78 -2.19 117.98 118.79 1sa1 s PHE 92 Ca 0.09 1.85 0.05 0.00 -0.60 0.00 0.00 56.93 58.31 1sa1 s PHE 92 Cb 0.16 -3.04 0.18 0.00 0.51 0.00 0.00 43.02 40.83 1sa1 s PHE 92 CO 0.73 0.26 0.45 0.28 0.70 0.00 0.00 175.22 177.64 1sa1 n VAL 93 N 2.02 0.22 -2.11 -0.44 0.31 0.50 -4.96 118.33 113.88 1sa1 n VAL 93 Ca -0.00 -4.18 -0.41 0.00 -0.01 0.00 0.00 64.34 59.74 1sa1 n VAL 93 Cb 0.48 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1sa1 n VAL 93 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1sa1 s PHE 94 N -0.83 3.05 -0.40 3.52 -0.12 -1.26 -2.91 117.98 119.03 1sa1 s PHE 94 Ca 0.30 1.39 0.23 0.00 -0.05 0.00 0.00 56.93 58.80 1sa1 s PHE 94 Cb 0.02 -3.69 0.10 0.00 -0.63 0.00 0.00 43.02 38.83 1sa1 s PHE 94 CO -0.17 -1.91 1.11 0.41 -0.05 0.00 0.00 175.22 174.62 1sa1 n GLY 95 N 0.94 -1.41 6.32 1.99 0.00 0.16 -4.95 105.19 108.23 1sa1 n GLY 95 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1sa1 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa1 n GLN 96 N -2.41 0.00 -0.28 1.61 -0.06 -1.26 -4.79 117.38 110.19 1sa1 n GLN 96 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1sa1 n GLN 96 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 1sa1 n GLN 96 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1sa1 n SER 97 N 6.26 0.00 -4.77 1.69 3.41 -1.26 -4.12 113.62 114.83 1sa1 n SER 97 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1sa1 n SER 97 Cb 0.00 -1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 62.93 1sa1 n SER 97 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sa1 s GLY 98 N -2.00 2.93 0.00 5.00 0.00 -1.26 -4.75 107.32 107.23 1sa1 s GLY 98 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1sa1 s GLY 98 CO 0.00 1.63 0.70 0.00 0.00 0.00 0.00 173.10 175.43 1sa1 n ALA 99 N 0.34 -0.10 0.00 3.20 0.00 -1.26 -4.77 120.51 117.92 1sa1 n ALA 99 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1sa1 n ALA 99 Cb 0.45 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1sa1 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa1 n GLY 100 N -0.86 0.43 2.35 0.00 0.00 -1.26 -4.60 105.19 101.26 1sa1 n GLY 100 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 1sa1 n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sa1 n ASN 101 N 0.00 -4.13 -3.63 1.61 3.02 -1.26 -4.84 115.26 106.02 1sa1 n ASN 101 Ca 0.00 0.07 -0.27 0.00 -0.03 0.00 0.00 54.58 54.35 1sa1 n ASN 101 Cb 0.00 -1.88 -0.17 0.00 -0.61 0.00 0.00 39.78 37.13 1sa1 n ASN 101 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sa1 s ASN 102 N -2.30 2.70 0.00 6.41 2.20 -1.26 -4.22 114.94 118.46 1sa1 s ASN 102 Ca 0.00 -0.79 0.00 0.00 -0.94 0.00 0.00 52.86 51.13 1sa1 s ASN 102 Cb 0.00 -0.35 0.00 0.00 -2.00 0.00 0.00 41.25 38.90 1sa1 s ASN 102 CO 0.00 -0.36 0.00 1.87 -2.94 0.00 0.00 177.10 175.67 1sa1 n TRP 103 N 5.21 0.00 -0.35 1.54 -0.00 -1.26 0.22 117.44 122.80 1sa1 n TRP 103 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.41 1sa1 n TRP 103 Cb 0.47 -0.42 0.02 0.00 -0.00 0.00 0.00 31.31 31.38 1sa1 n TRP 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sa1 n ALA 104 N -3.38 -0.18 -0.01 5.87 0.00 -1.26 -0.77 120.51 120.78 1sa1 n ALA 104 Ca 0.00 0.88 -0.15 0.00 0.00 0.00 0.00 53.44 54.17 1sa1 n ALA 104 Cb 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 1sa1 n ALA 104 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sa1 h LYS 105 N 0.00 -0.54 0.00 0.00 3.64 0.22 0.18 116.57 120.08 1sa1 h LYS 105 Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1sa1 h LYS 105 Cb 0.52 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1sa1 h LYS 105 CO -0.89 -0.36 0.00 0.41 -2.27 0.00 0.00 179.45 176.34 1sa1 n GLY 106 N -1.42 -1.30 0.00 5.01 0.00 0.04 -1.38 105.19 106.14 1sa1 n GLY 106 Ca -0.06 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1sa1 n GLY 106 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sa1 n HIS 107 N -1.50 0.00 0.01 1.61 -0.00 0.05 -1.27 115.22 114.12 1sa1 n HIS 107 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1sa1 n HIS 107 Cb 0.27 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 1sa1 n HIS 107 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sa1 n TYR 108 N -1.81 -0.03 0.00 1.57 4.02 0.04 -4.53 117.16 116.41 1sa1 n TYR 108 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1sa1 n TYR 108 Cb 0.31 0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 1sa1 n TYR 108 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sa1 n THR 109 N -2.60 0.00 0.28 -0.72 -1.04 -0.84 -2.82 114.28 106.54 1sa1 n THR 109 Ca 0.00 0.17 0.08 0.00 -2.04 0.00 0.00 64.05 62.26 1sa1 n THR 109 Cb 0.00 -0.53 0.35 0.00 -1.82 0.00 0.00 70.33 68.33 1sa1 n THR 109 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sa1 n GLU 110 N 0.00 0.09 0.00 -2.82 -0.58 -1.00 -2.83 120.64 113.49 1sa1 n GLU 110 Ca 0.00 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1sa1 n GLU 110 Cb 0.00 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.16 1sa1 n GLU 110 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sa1 n GLY 111 N -0.64 -2.03 0.43 0.62 0.00 -0.48 -3.67 105.19 99.42 1sa1 n GLY 111 Ca 0.01 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.27 1sa1 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sa1 h ALA 112 N -2.00 2.61 -0.99 4.61 0.00 -1.52 -0.73 119.26 121.24 1sa1 h ALA 112 Ca 0.00 -0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.26 1sa1 h ALA 112 Cb 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.66 1sa1 h ALA 112 CO 0.00 -0.84 0.48 1.49 0.00 0.00 0.00 179.25 180.38 1sa1 h GLU 113 N 0.08 0.11 0.00 0.00 4.57 -1.59 -3.26 114.58 114.49 1sa1 h GLU 113 Ca 0.38 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.43 1sa1 h GLU 113 Cb 1.39 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.93 1sa1 h GLU 113 CO -0.04 0.07 -1.38 -0.11 -1.18 0.00 0.00 179.01 176.38 1sa1 n LEU 114 N -5.22 1.87 0.00 1.64 7.94 -0.30 -4.81 117.00 118.11 1sa1 n LEU 114 Ca 0.34 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1sa1 n LEU 114 Cb 1.11 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1sa1 n LEU 114 CO 0.03 -0.06 0.00 0.52 -1.11 0.00 0.00 177.39 176.77 1sa1 n VAL 115 N -4.33 0.00 -0.31 1.96 0.31 -1.06 0.14 118.33 115.04 1sa1 n VAL 115 Ca -0.24 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.24 1sa1 n VAL 115 Cb 0.60 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.86 1sa1 n VAL 115 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1sa1 h ASP 116 N 0.00 0.33 -0.45 4.52 3.32 -1.88 1.62 116.42 123.89 1sa1 h ASP 116 Ca 0.00 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1sa1 h ASP 116 Cb 0.00 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1sa1 h ASP 116 CO 0.00 -0.03 0.27 0.28 -1.72 0.00 0.00 179.24 178.03 1sa1 h SER 117 N 0.38 0.55 0.32 6.45 0.02 0.85 0.12 113.55 122.24 1sa1 h SER 117 Ca 0.59 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.46 1sa1 h SER 117 Cb 1.17 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1sa1 h SER 117 CO -0.55 0.45 -0.16 0.58 -1.14 0.00 0.00 176.83 176.01 1sa1 h VAL 118 N 0.60 0.20 -1.27 2.27 2.07 -1.11 -3.04 116.25 115.96 1sa1 h VAL 118 Ca 0.16 -0.75 0.37 0.00 0.82 0.00 0.00 66.70 67.30 1sa1 h VAL 118 Cb 0.01 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 1sa1 h VAL 118 CO -0.03 0.05 1.02 0.25 0.02 0.00 0.00 177.57 178.88 1sa1 h LEU 119 N -1.07 0.00 0.08 2.57 5.85 0.25 0.15 115.31 123.13 1sa1 h LEU 119 Ca -0.04 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.45 1sa1 h LEU 119 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1sa1 h LEU 119 CO 0.07 0.00 -1.14 -0.78 -0.34 0.00 0.00 178.44 176.25 1sa1 h ASP 120 N 0.00 0.25 -0.66 1.25 1.82 -0.85 -3.00 116.42 115.23 1sa1 h ASP 120 Ca 0.61 -0.81 0.04 0.00 -0.39 0.00 0.00 57.03 56.47 1sa1 h ASP 120 Cb 2.63 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 42.53 1sa1 h ASP 120 CO -0.01 1.49 0.44 0.58 -1.61 0.00 0.00 179.24 180.13 1sa1 h VAL 121 N -0.55 1.08 -0.83 2.25 2.07 -0.64 -1.76 116.25 117.86 1sa1 h VAL 121 Ca -0.26 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1sa1 h VAL 121 Cb 1.55 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1sa1 h VAL 121 CO 0.00 0.14 0.55 -0.37 0.02 0.00 0.00 177.57 177.91 1sa1 h VAL 122 N 0.76 1.18 -0.02 2.57 -1.51 -1.28 -2.60 116.25 115.37 1sa1 h VAL 122 Ca 0.27 -0.38 0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1sa1 h VAL 122 Cb 0.11 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.25 1sa1 h VAL 122 CO -0.08 0.20 -0.03 -0.09 -1.23 0.00 0.00 177.57 176.34 1sa1 h ARG 123 N 1.10 -0.05 0.00 5.19 2.43 -1.24 -2.09 114.38 119.72 1sa1 h ARG 123 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1sa1 h ARG 123 Cb -0.08 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1sa1 h ARG 123 CO -0.08 -0.03 0.00 1.63 -1.51 0.00 0.00 179.97 179.98 1sa1 n LYS 124 N -5.14 0.11 -0.08 0.20 5.02 -0.73 -0.11 118.16 117.42 1sa1 n LYS 124 Ca -0.06 0.45 -0.07 0.00 -2.02 0.00 0.00 58.31 56.61 1sa1 n LYS 124 Cb 0.07 -1.75 -0.16 0.00 -0.02 0.00 0.00 35.03 33.17 1sa1 n LYS 124 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sa1 n GLU 125 N -1.96 0.68 -0.02 1.97 -0.58 -1.02 -3.52 120.64 116.20 1sa1 n GLU 125 Ca 0.01 -0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.59 1sa1 n GLU 125 Cb 0.13 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 29.34 1sa1 n GLU 125 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1sa1 n SER 126 N -2.67 1.24 0.22 1.62 7.64 -0.81 -2.25 113.62 118.60 1sa1 n SER 126 Ca -0.28 0.31 0.08 0.00 1.01 0.00 0.00 58.87 59.98 1sa1 n SER 126 Cb 1.06 -0.25 0.48 0.00 -1.01 0.00 0.00 64.21 64.49 1sa1 n SER 126 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1sa1 h GLU 127 N 0.02 0.00 0.06 1.43 4.81 -0.73 -3.28 114.58 116.90 1sa1 h GLU 127 Ca -0.35 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1sa1 h GLU 127 Cb 2.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.41 1sa1 h GLU 127 CO 0.07 0.28 -0.03 1.03 -0.73 0.00 0.00 179.01 179.63 1sa1 h SER 128 N 0.00 -0.07 -2.61 1.04 0.87 -1.59 -3.46 113.55 107.72 1sa1 h SER 128 Ca -0.00 -0.56 -0.59 0.00 -1.23 0.00 0.00 61.79 59.41 1sa1 h SER 128 Cb 0.65 0.02 0.16 0.00 -0.44 0.00 0.00 62.40 62.78 1sa1 h SER 128 CO 0.04 0.58 -0.38 0.00 -0.53 0.00 0.00 176.83 176.54 1sa1 h ASP 130 N 0.63 -0.30 -3.25 0.00 3.58 -1.90 -3.42 116.42 111.77 1sa1 h ASP 130 Ca -0.43 0.01 -0.58 0.00 0.42 0.00 0.00 57.03 56.46 1sa1 h ASP 130 Cb 1.40 0.08 -0.37 0.00 1.72 0.00 0.00 39.33 42.15 1sa1 h ASP 130 CO 0.50 -0.09 -0.81 0.00 -2.88 0.00 0.00 179.24 175.95 1sa1 s LEU 132 N 1.55 3.83 -0.09 0.00 2.96 -1.26 -2.62 118.68 123.04 1sa1 s LEU 132 Ca 0.03 2.35 -0.08 0.00 -0.22 0.00 0.00 54.13 56.20 1sa1 s LEU 132 Cb -0.14 -4.44 -0.03 0.00 0.50 0.00 0.00 46.19 42.08 1sa1 s LEU 132 CO -0.09 -1.26 -0.16 1.67 -1.32 0.00 0.00 176.35 175.19 1sa1 n GLN 133 N -1.07 0.29 -2.25 1.98 7.27 0.20 -4.52 117.38 119.27 1sa1 n GLN 133 Ca 0.11 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1sa1 n GLN 133 Cb 0.49 -1.13 0.00 0.00 2.41 0.00 0.00 30.24 32.01 1sa1 n GLN 133 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sa1 n GLY 134 N 1.55 -0.60 3.06 1.69 0.00 -1.26 -2.63 105.19 107.01 1sa1 n GLY 134 Ca -0.07 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 1sa1 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sa1 s PHE 135 N -3.31 0.90 -0.17 1.61 0.40 -0.13 -2.80 117.98 114.47 1sa1 s PHE 135 Ca 0.00 -0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1sa1 s PHE 135 Cb 0.00 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 1sa1 s PHE 135 CO 0.00 -0.01 -0.06 1.14 0.70 0.00 0.00 175.22 176.99 1sa1 s GLN 136 N -0.75 3.50 -0.07 0.44 -2.07 -1.09 -0.70 119.66 118.91 1sa1 s GLN 136 Ca 0.00 -0.60 0.04 0.00 -1.82 0.00 0.00 55.36 52.98 1sa1 s GLN 136 Cb -0.06 -2.88 -0.02 0.00 -1.09 0.00 0.00 33.01 28.96 1sa1 s GLN 136 CO 0.00 0.07 -0.18 -1.17 -1.32 0.00 0.00 175.29 172.70 1sa1 s LEU 137 N 0.78 2.49 -0.10 2.60 2.96 -0.09 -0.41 118.68 126.91 1sa1 s LEU 137 Ca -0.02 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1sa1 s LEU 137 Cb -0.15 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1sa1 s LEU 137 CO 0.02 0.27 -0.18 0.42 -1.32 0.00 0.00 176.35 175.55 1sa1 s THR 138 N -0.28 2.61 0.20 3.68 -4.23 -0.38 -1.53 115.64 115.72 1sa1 s THR 138 Ca 0.01 -0.84 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 1sa1 s THR 138 Cb -0.13 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.72 1sa1 s THR 138 CO 0.03 0.55 0.88 -1.38 -0.54 0.00 0.00 174.62 174.15 1sa1 s HIS 139 N 0.15 -0.14 -0.23 3.99 -0.00 -1.11 -1.63 115.29 116.32 1sa1 s HIS 139 Ca -0.10 -0.23 -0.07 0.00 -0.00 0.00 0.00 55.06 54.66 1sa1 s HIS 139 Cb -0.16 0.67 -0.03 0.00 -0.00 0.00 0.00 32.58 33.07 1sa1 s HIS 139 CO 0.06 -0.99 0.05 -1.54 -0.00 0.00 0.00 174.74 172.32 1sa1 s SER 140 N -2.95 5.09 0.21 7.38 1.04 -1.26 -2.99 113.70 120.22 1sa1 s SER 140 Ca 0.12 -0.19 0.25 0.00 0.48 0.00 0.00 55.95 56.62 1sa1 s SER 140 Cb -0.03 -1.90 0.89 0.00 0.10 0.00 0.00 66.02 65.08 1sa1 s SER 140 CO 0.04 0.00 1.75 -0.11 0.98 0.00 0.00 173.24 175.91 1sa1 n LEU 141 N 4.66 0.71 -4.39 2.42 7.94 -0.77 -2.52 117.00 125.05 1sa1 n LEU 141 Ca -0.16 0.60 -0.31 0.00 -1.11 0.00 0.00 56.01 55.03 1sa1 n LEU 141 Cb 0.52 -0.42 -0.14 0.00 0.53 0.00 0.00 43.42 43.90 1sa1 n LEU 141 CO 0.31 -0.31 -0.54 -0.83 -1.11 0.00 0.00 177.39 174.91 1sa1 s GLY 142 N -3.53 1.45 0.14 -3.96 0.00 -1.26 -1.77 107.32 98.41 1sa1 s GLY 142 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1sa1 s GLY 142 CO 0.51 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 173.13 1sa1 n GLY 143 N 1.78 -3.30 0.00 0.20 0.00 -1.26 -4.86 105.19 97.76 1sa1 n GLY 143 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1sa1 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa1 n GLY 144 N -1.30 -2.35 3.33 -0.02 0.00 -1.26 -3.51 105.19 100.08 1sa1 n GLY 144 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1sa1 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sa1 n THR 145 N -0.35 0.00 0.00 2.61 -2.24 -1.26 0.14 114.28 113.18 1sa1 n THR 145 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1sa1 n THR 145 Cb 0.00 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1sa1 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sa1 n GLY 146 N 5.45 2.00 0.13 3.38 0.00 -1.26 -3.32 105.19 111.58 1sa1 n GLY 146 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1sa1 n GLY 146 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sa1 h SER 147 N 0.00 0.51 0.05 1.61 0.87 0.15 -3.31 113.55 113.44 1sa1 h SER 147 Ca 0.00 -0.90 -0.37 0.00 -1.23 0.00 0.00 61.79 59.28 1sa1 h SER 147 Cb 0.00 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 1sa1 h SER 147 CO 0.00 1.69 -2.19 0.61 -0.53 0.00 0.00 176.83 176.41 1sa1 n GLY 148 N 1.79 -0.49 0.40 5.77 0.00 0.30 -3.63 105.19 109.33 1sa1 n GLY 148 Ca -0.24 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1sa1 n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sa1 h MET 149 N -0.19 -0.97 -0.88 1.61 1.85 -1.28 -2.55 114.93 112.50 1sa1 h MET 149 Ca -0.51 0.07 0.14 0.00 -0.61 0.00 0.00 59.70 58.78 1sa1 h MET 149 Cb 1.86 0.22 -0.09 0.00 0.43 0.00 0.00 31.60 34.02 1sa1 h MET 149 CO -0.08 -0.65 0.49 0.78 -0.40 0.00 0.00 176.91 177.05 1sa1 h GLY 150 N -1.04 1.44 1.90 1.39 0.00 -1.78 0.72 103.07 105.70 1sa1 h GLY 150 Ca -0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1sa1 h GLY 150 CO 0.17 0.01 -0.18 -0.91 0.00 0.00 0.00 176.54 175.63 1sa1 h THR 151 N 0.71 1.17 0.10 4.70 1.35 -1.62 0.04 112.91 119.36 1sa1 h THR 151 Ca 0.47 -0.79 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1sa1 h THR 151 Cb 0.61 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1sa1 h THR 151 CO -0.33 0.24 -0.05 0.25 -0.25 0.00 0.00 175.52 175.37 1sa1 h LEU 152 N 0.12 -0.11 -0.98 3.87 5.85 -0.17 -2.92 115.31 120.97 1sa1 h LEU 152 Ca 0.02 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.39 1sa1 h LEU 152 Cb 0.39 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.32 1sa1 h LEU 152 CO 0.03 0.48 -0.50 0.18 -0.34 0.00 0.00 178.44 178.29 1sa1 n LEU 153 N -4.86 -0.88 -0.00 2.25 4.77 0.22 -0.20 117.00 118.29 1sa1 n LEU 153 Ca -0.08 1.73 -0.10 0.00 -0.03 0.00 0.00 56.01 57.53 1sa1 n LEU 153 Cb 0.29 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1sa1 n LEU 153 CO 0.28 -1.47 0.88 0.16 -1.33 0.00 0.00 177.39 175.91 1sa1 h ILE 154 N 0.00 0.95 0.00 -0.08 3.07 -1.10 0.37 117.51 120.73 1sa1 h ILE 154 Ca 0.23 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.62 1sa1 h ILE 154 Cb 0.47 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1sa1 h ILE 154 CO -0.94 0.01 0.00 -1.20 -1.05 0.00 0.00 178.15 174.97 1sa1 n SER 155 N -5.09 0.00 0.00 2.16 7.64 0.72 0.41 113.62 119.46 1sa1 n SER 155 Ca -0.05 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1sa1 n SER 155 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1sa1 n SER 155 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sa1 n LYS 156 N -0.66 2.03 0.00 1.43 4.76 0.24 -4.83 118.16 121.12 1sa1 n LYS 156 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1sa1 n LYS 156 Cb 0.00 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1sa1 n LYS 156 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1sa1 n ILE 157 N -1.03 0.00 -1.31 -0.18 2.08 0.16 -3.59 119.36 115.49 1sa1 n ILE 157 Ca 0.00 0.59 -0.57 0.00 0.56 0.00 0.00 62.75 63.33 1sa1 n ILE 157 Cb 0.02 -1.24 -0.10 0.00 -0.75 0.00 0.00 39.64 37.57 1sa1 n ILE 157 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1sa1 n ARG 158 N -1.13 0.34 0.00 0.38 1.74 -0.21 0.21 116.66 117.99 1sa1 n ARG 158 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1sa1 n ARG 158 Cb 0.00 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 1sa1 n ARG 158 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sa1 n GLU 159 N 7.70 0.00 -0.01 5.56 2.13 -1.26 -4.57 120.64 130.20 1sa1 n GLU 159 Ca 0.51 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.43 1sa1 n GLU 159 Cb 0.04 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.59 1sa1 n GLU 159 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1sa1 n GLU 160 N 0.00 0.61 -3.27 5.31 2.13 0.58 -4.63 120.64 121.37 1sa1 n GLU 160 Ca 0.00 -0.18 -0.24 0.00 0.66 0.00 0.00 57.16 57.40 1sa1 n GLU 160 Cb 0.00 -1.52 -0.08 0.00 0.27 0.00 0.00 31.44 30.11 1sa1 n GLU 160 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1sa1 n TYR 161 N -2.20 -1.11 0.21 4.31 4.02 0.95 -4.92 117.16 118.42 1sa1 n TYR 161 Ca -0.03 -3.16 0.12 0.00 -0.01 0.00 0.00 57.90 54.81 1sa1 n TYR 161 Cb 0.55 0.25 0.09 0.00 -0.02 0.00 0.00 39.34 40.21 1sa1 n TYR 161 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1sa1 h PRO 162 N 5.10 0.00 0.44 -0.72 0.11 -1.82 -3.36 132.00 131.75 1sa1 h PRO 162 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1sa1 h PRO 162 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1sa1 h PRO 162 CO 0.36 0.00 -0.21 0.38 -0.21 0.00 0.00 178.00 178.32 1sa1 h ASP 163 N 0.00 -0.50 -4.16 -2.05 -0.00 -1.98 -3.47 116.42 104.26 1sa1 h ASP 163 Ca 0.00 -0.01 -0.50 0.00 -0.00 0.00 0.00 57.03 56.52 1sa1 h ASP 163 Cb 0.96 0.13 0.08 0.00 -0.00 0.00 0.00 39.33 40.50 1sa1 h ASP 163 CO 0.00 -0.07 0.39 -0.13 -0.00 0.00 0.00 179.24 179.43 1sa1 s ARG 164 N -3.59 3.12 0.37 4.15 1.81 -1.26 -5.01 118.95 118.54 1sa1 s ARG 164 Ca -0.09 1.41 0.07 0.00 -1.72 0.00 0.00 55.73 55.40 1sa1 s ARG 164 Cb 0.01 -1.99 -0.02 0.00 -0.45 0.00 0.00 34.95 32.50 1sa1 s ARG 164 CO 0.29 -1.00 0.39 0.96 -0.68 0.00 0.00 175.30 175.27 1sa1 s ILE 165 N -2.19 3.33 -0.17 1.52 -4.36 -1.08 -4.90 121.20 113.36 1sa1 s ILE 165 Ca 0.68 -1.23 0.01 0.00 -0.26 0.00 0.00 60.65 59.85 1sa1 s ILE 165 Cb -0.20 -3.15 0.03 0.00 1.25 0.00 0.00 42.46 40.38 1sa1 s ILE 165 CO 0.35 -0.10 -0.14 -0.04 0.24 0.00 0.00 174.94 175.26 1sa1 s MET 166 N -4.12 2.28 0.02 0.37 -1.94 -1.26 -0.96 119.30 113.69 1sa1 s MET 166 Ca 0.46 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 1sa1 s MET 166 Cb -0.07 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 1sa1 s MET 166 CO 0.29 -0.29 -0.14 1.21 -0.01 0.00 0.00 175.02 176.08 1sa1 s ASN 167 N 1.44 1.60 -0.01 3.03 2.47 0.12 -1.94 114.94 121.65 1sa1 s ASN 167 Ca 0.03 -0.37 -0.13 0.00 0.42 0.00 0.00 52.86 52.81 1sa1 s ASN 167 Cb -0.14 -0.13 0.02 0.00 -1.45 0.00 0.00 41.25 39.55 1sa1 s ASN 167 CO -0.10 0.08 0.27 0.42 -3.72 0.00 0.00 177.10 174.05 1sa1 s THR 168 N -0.65 0.06 -0.31 -5.21 -4.23 -1.21 -0.91 115.64 103.18 1sa1 s THR 168 Ca 0.03 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1sa1 s THR 168 Cb -0.07 -0.58 0.04 0.00 1.34 0.00 0.00 72.50 73.24 1sa1 s THR 168 CO 0.01 -0.29 0.05 -0.36 -0.54 0.00 0.00 174.62 173.48 1sa1 s PHE 169 N -1.35 3.24 -0.15 3.99 0.40 -0.58 -1.01 117.98 122.52 1sa1 s PHE 169 Ca -0.14 -1.59 -0.03 0.00 -0.60 0.00 0.00 56.93 54.57 1sa1 s PHE 169 Cb -0.06 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 1sa1 s PHE 169 CO 0.04 -0.75 -0.06 -1.12 0.70 0.00 0.00 175.22 174.03 1sa1 s SER 170 N 1.34 4.62 -0.57 1.36 0.01 -0.70 -2.76 113.70 117.00 1sa1 s SER 170 Ca -0.03 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 1sa1 s SER 170 Cb -0.19 -1.74 0.13 0.00 0.21 0.00 0.00 66.02 64.42 1sa1 s SER 170 CO 0.01 0.17 0.55 0.68 0.41 0.00 0.00 173.24 175.06 1sa1 s VAL 171 N 0.35 5.17 -0.16 3.43 -7.23 -1.16 -1.50 120.40 119.30 1sa1 s VAL 171 Ca -0.06 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 1sa1 s VAL 171 Cb -0.15 -4.37 -0.01 0.00 0.56 0.00 0.00 36.38 32.41 1sa1 s VAL 171 CO 0.04 -0.92 0.99 -0.69 -0.31 0.00 0.00 175.10 174.20 1sa1 s VAL 172 N 1.69 4.77 0.61 1.32 1.01 -0.48 -1.84 120.40 127.47 1sa1 s VAL 172 Ca 0.05 1.97 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 1sa1 s VAL 172 Cb -0.28 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.82 1sa1 s VAL 172 CO 0.03 -0.05 0.94 -2.16 0.00 0.00 0.00 175.10 173.85 1sa1 s PRO 173 N 2.42 2.99 0.25 2.72 0.04 -1.26 -2.00 135.00 140.16 1sa1 s PRO 173 Ca 0.45 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1sa1 s PRO 173 Cb -0.17 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.18 1sa1 s PRO 173 CO 0.13 -0.72 0.24 -1.13 0.04 0.00 0.00 177.00 175.56 1sa1 n SER 174 N -2.65 1.51 0.01 6.66 3.41 -1.26 -4.87 113.62 116.43 1sa1 n SER 174 Ca 0.05 -1.80 0.11 0.00 -0.26 0.00 0.00 58.87 56.96 1sa1 n SER 174 Cb 0.57 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1sa1 n SER 174 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1sa1 n PRO 175 N -1.25 0.12 -3.88 4.33 -0.05 -1.26 -4.55 135.00 128.45 1sa1 n PRO 175 Ca 0.02 -0.01 -0.36 0.00 -0.05 0.00 0.00 63.50 63.10 1sa1 n PRO 175 Cb 0.28 -1.53 -0.13 0.00 -0.05 0.00 0.00 33.50 32.07 1sa1 n PRO 175 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 175.50 173.86 1sa1 s LYS 176 N -3.08 3.57 -1.43 0.54 -2.85 -1.26 -4.32 119.74 110.91 1sa1 s LYS 176 Ca 0.07 -0.53 -0.03 0.00 -1.00 0.00 0.00 55.97 54.47 1sa1 s LYS 176 Cb 0.16 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 1sa1 s LYS 176 CO 0.81 -0.13 0.31 0.28 0.10 0.00 0.00 175.35 176.71 1sa1 n VAL 177 N 4.70 -2.50 -4.00 1.79 0.31 -1.26 -4.85 118.33 112.52 1sa1 n VAL 177 Ca -0.17 -0.53 -0.25 0.00 -0.01 0.00 0.00 64.34 63.38 1sa1 n VAL 177 Cb 0.51 -2.16 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 1sa1 n VAL 177 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sa1 s SER 178 N -4.28 4.58 -0.10 4.52 1.04 -1.26 -4.79 113.70 113.41 1sa1 s SER 178 Ca 0.06 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.45 1sa1 s SER 178 Cb -0.03 -0.24 -0.09 0.00 0.10 0.00 0.00 66.02 65.76 1sa1 s SER 178 CO 0.93 -0.71 -0.03 0.47 0.98 0.00 0.00 173.24 174.88 1sa1 n ASP 179 N -1.42 2.97 -4.20 7.02 8.00 -1.26 -5.04 116.55 122.63 1sa1 n ASP 179 Ca -0.01 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.26 1sa1 n ASP 179 Cb 0.64 0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 41.90 1sa1 n ASP 179 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sa1 s THR 180 N -2.22 1.28 -0.38 -3.53 2.01 -1.26 -5.03 115.64 106.51 1sa1 s THR 180 Ca -0.10 -1.34 0.05 0.00 0.31 0.00 0.00 61.69 60.62 1sa1 s THR 180 Cb 0.03 -1.20 0.47 0.00 0.01 0.00 0.00 72.50 71.81 1sa1 s THR 180 CO 0.31 -0.15 1.47 0.52 -0.69 0.00 0.00 174.62 176.08 1sa1 n VAL 181 N 1.30 2.16 0.17 3.82 0.31 -1.26 -3.71 118.33 121.12 1sa1 n VAL 181 Ca -0.20 -1.09 0.11 0.00 -0.01 0.00 0.00 64.34 63.15 1sa1 n VAL 181 Cb 0.54 -0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1sa1 n VAL 181 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1sa1 n VAL 182 N -0.17 0.28 -0.18 2.52 0.24 -1.26 -4.82 118.33 114.94 1sa1 n VAL 182 Ca 0.30 -0.46 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1sa1 n VAL 182 Cb 1.10 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.35 1sa1 n VAL 182 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sa1 n GLU 183 N -2.35 -0.19 -0.34 7.34 4.71 -1.24 -0.19 120.64 128.38 1sa1 n GLU 183 Ca -0.01 0.81 -0.09 0.00 -0.01 0.00 0.00 57.16 57.86 1sa1 n GLU 183 Cb 0.53 -1.19 -0.08 0.00 -1.01 0.00 0.00 31.44 29.69 1sa1 n GLU 183 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1sa1 n PRO 184 N -4.14 -0.36 -0.26 3.49 -0.01 -1.26 -0.18 135.00 132.28 1sa1 n PRO 184 Ca 0.01 1.24 -0.04 0.00 -0.01 0.00 0.00 63.50 64.70 1sa1 n PRO 184 Cb 0.11 -1.83 0.01 0.00 -0.01 0.00 0.00 33.50 31.78 1sa1 n PRO 184 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 175.50 177.37 1sa1 h TYR 185 N 0.00 -1.04 0.36 6.00 0.99 -0.94 0.33 116.97 122.67 1sa1 h TYR 185 Ca 0.14 0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.93 1sa1 h TYR 185 Cb 0.34 0.56 0.00 0.00 1.00 0.00 0.00 36.73 38.64 1sa1 h TYR 185 CO -0.84 -0.39 -0.17 -0.91 -0.00 0.00 0.00 178.16 175.84 1sa1 h ASN 186 N -0.12 -0.41 0.29 3.88 2.35 -0.50 -2.05 115.58 119.03 1sa1 h ASN 186 Ca 0.26 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1sa1 h ASN 186 Cb 0.56 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1sa1 h ASN 186 CO -0.78 -0.20 -0.50 0.00 -1.65 0.00 0.00 177.43 174.29 1sa1 h ALA 187 N 0.02 -1.06 0.00 -0.83 0.00 -0.03 -0.55 119.26 116.81 1sa1 h ALA 187 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sa1 h ALA 187 Cb 0.43 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sa1 h ALA 187 CO 0.08 -1.14 0.17 1.15 0.00 0.00 0.00 179.25 179.51 1sa1 h THR 188 N -0.84 0.00 0.08 0.00 2.02 -0.37 1.12 112.91 114.91 1sa1 h THR 188 Ca -0.03 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.78 1sa1 h THR 188 Cb 0.79 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1sa1 h THR 188 CO -0.18 0.00 -2.09 0.18 0.37 0.00 0.00 175.52 173.80 1sa1 n LEU 189 N -2.29 2.44 -0.03 2.58 4.77 -0.62 -3.45 117.00 120.40 1sa1 n LEU 189 Ca -0.01 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1sa1 n LEU 189 Cb 0.20 -0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 1sa1 n LEU 189 CO 0.09 0.81 0.57 0.28 -1.33 0.00 0.00 177.39 177.81 1sa1 h SER 190 N 0.05 0.06 -0.26 -1.43 0.02 -0.05 -3.10 113.55 108.84 1sa1 h SER 190 Ca -0.45 -0.60 0.08 0.00 -0.84 0.00 0.00 61.79 59.98 1sa1 h SER 190 Cb 2.01 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.52 1sa1 h SER 190 CO 0.05 0.65 0.23 1.62 -1.14 0.00 0.00 176.83 178.24 1sa1 h VAL 191 N -0.52 0.62 0.50 2.27 3.04 0.11 1.03 116.25 123.30 1sa1 h VAL 191 Ca -0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1sa1 h VAL 191 Cb 0.64 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1sa1 h VAL 191 CO 0.01 0.00 -0.24 -0.74 -1.01 0.00 0.00 177.57 175.59 1sa1 h HIS 192 N 0.00 -0.62 -0.39 3.17 6.17 -1.62 -2.76 115.15 119.10 1sa1 h HIS 192 Ca 0.12 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.26 1sa1 h HIS 192 Cb 0.59 0.21 -0.09 0.00 2.52 0.00 0.00 27.41 30.63 1sa1 h HIS 192 CO 0.00 -0.33 -0.40 0.37 0.71 0.00 0.00 177.93 178.28 1sa1 h GLN 193 N -1.11 -0.31 -0.53 5.26 5.75 -0.71 -2.87 115.11 120.60 1sa1 h GLN 193 Ca -0.07 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1sa1 h GLN 193 Cb 0.57 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 29.13 1sa1 h GLN 193 CO 0.11 -0.21 -0.31 1.28 -2.65 0.00 0.00 178.83 177.06 1sa1 n LEU 194 N -5.42 -0.56 0.31 -2.39 7.99 0.33 -1.10 117.00 116.17 1sa1 n LEU 194 Ca -0.00 1.38 0.10 0.00 -0.01 0.00 0.00 56.01 57.47 1sa1 n LEU 194 Cb 0.35 -0.34 0.50 0.00 -0.11 0.00 0.00 43.42 43.82 1sa1 n LEU 194 CO 0.05 -0.98 1.08 1.62 -1.51 0.00 0.00 177.39 177.65 1sa1 h VAL 195 N 0.00 0.01 0.00 4.08 3.04 -1.25 -1.80 116.25 120.33 1sa1 h VAL 195 Ca 0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.77 1sa1 h VAL 195 Cb 0.22 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1sa1 h VAL 195 CO -0.50 0.00 -1.74 -0.62 -1.01 0.00 0.00 177.57 173.70 1sa1 n GLU 196 N -2.77 0.52 -1.38 4.17 -0.58 -0.26 -4.53 120.64 115.81 1sa1 n GLU 196 Ca -0.00 -0.14 0.03 0.00 -0.42 0.00 0.00 57.16 56.62 1sa1 n GLU 196 Cb 0.65 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 30.15 1sa1 n GLU 196 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1sa1 n ASN 197 N -2.07 0.74 -4.30 1.62 6.94 -0.70 -5.04 115.26 112.45 1sa1 n ASN 197 Ca -0.04 -1.99 -0.29 0.00 -0.02 0.00 0.00 54.58 52.24 1sa1 n ASN 197 Cb 0.43 -0.24 -0.15 0.00 -2.36 0.00 0.00 39.78 37.47 1sa1 n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1sa1 s THR 198 N 0.00 1.95 -0.51 5.53 -4.23 -1.06 -4.90 115.64 112.42 1sa1 s THR 198 Ca 0.28 -1.27 0.24 0.00 -1.18 0.00 0.00 61.69 59.77 1sa1 s THR 198 Cb 0.33 -1.67 0.10 0.00 1.34 0.00 0.00 72.50 72.59 1sa1 s THR 198 CO -0.14 0.35 1.33 0.44 -0.54 0.00 0.00 174.62 176.06 1sa1 h ASP 199 N 4.95 0.00 -3.05 3.99 5.19 -1.74 -3.42 116.42 122.33 1sa1 h ASP 199 Ca -0.44 -0.11 0.06 0.00 -0.62 0.00 0.00 57.03 55.92 1sa1 h ASP 199 Cb 1.14 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.40 1sa1 h ASP 199 CO 0.44 0.05 0.32 -1.83 -3.12 0.00 0.00 179.24 175.11 1sa1 s GLU 200 N -3.22 0.54 0.02 3.56 -1.05 -1.14 -4.72 118.70 112.68 1sa1 s GLU 200 Ca 0.05 0.77 0.03 0.00 -0.15 0.00 0.00 54.97 55.67 1sa1 s GLU 200 Cb 0.11 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 1sa1 s GLU 200 CO 0.72 -0.09 -0.10 0.99 0.95 0.00 0.00 175.26 177.73 1sa1 s THR 201 N 0.83 0.81 -0.15 1.83 2.01 -1.26 -3.35 115.64 116.36 1sa1 s THR 201 Ca -0.03 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 1sa1 s THR 201 Cb -0.05 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1sa1 s THR 201 CO -0.10 0.03 0.35 -0.31 -0.69 0.00 0.00 174.62 173.90 1sa1 s TYR 202 N -0.63 3.46 -0.33 4.92 1.51 -0.18 -1.50 117.35 124.61 1sa1 s TYR 202 Ca 0.01 0.67 -0.12 0.00 -1.01 0.00 0.00 57.07 56.61 1sa1 s TYR 202 Cb -0.06 -2.41 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 1sa1 s TYR 202 CO 0.00 0.19 0.23 0.00 -1.11 0.00 0.00 175.55 174.86 1sa1 s ILE 204 N 1.72 4.85 -0.18 0.00 1.09 -0.56 -4.18 121.20 123.93 1sa1 s ILE 204 Ca 0.06 -0.89 -0.15 0.00 -1.10 0.00 0.00 60.65 58.57 1sa1 s ILE 204 Cb -0.17 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1sa1 s ILE 204 CO 0.10 -0.34 0.36 -0.62 -0.10 0.00 0.00 174.94 174.34 1sa1 s ASP 205 N 1.80 6.46 0.56 3.58 -1.08 -0.82 -1.39 116.67 125.78 1sa1 s ASP 205 Ca 0.03 0.54 0.27 0.00 -0.52 0.00 0.00 52.55 52.87 1sa1 s ASP 205 Cb -0.20 -2.22 1.64 0.00 -1.46 0.00 0.00 42.92 40.68 1sa1 s ASP 205 CO 0.07 0.00 2.19 0.78 0.52 0.00 0.00 175.17 178.74 1sa1 h ASN 206 N 7.03 0.00 -0.41 -0.34 -0.26 -1.70 -2.41 115.58 117.49 1sa1 h ASN 206 Ca -0.39 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.40 1sa1 h ASN 206 Cb 1.17 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.38 1sa1 h ASN 206 CO 0.73 0.04 0.17 -0.33 -1.06 0.00 0.00 177.43 176.99 1sa1 h GLU 207 N 0.00 0.35 -0.21 0.81 5.08 -1.89 1.01 114.58 119.74 1sa1 h GLU 207 Ca -0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1sa1 h GLU 207 Cb 0.10 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1sa1 h GLU 207 CO 0.01 0.23 -0.17 0.00 -1.00 0.00 0.00 179.01 178.08 1sa1 h ALA 208 N 1.24 0.30 -0.97 3.43 0.00 -1.72 0.20 119.26 121.74 1sa1 h ALA 208 Ca 0.18 -0.33 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1sa1 h ALA 208 Cb 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1sa1 h ALA 208 CO -0.16 0.20 0.61 1.25 0.00 0.00 0.00 179.25 181.15 1sa1 h LEU 209 N 0.16 0.65 0.08 0.00 5.85 -0.91 0.61 115.31 121.76 1sa1 h LEU 209 Ca 0.04 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 1sa1 h LEU 209 Cb 0.69 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.69 1sa1 h LEU 209 CO 0.04 0.25 -0.62 0.22 -0.34 0.00 0.00 178.44 177.99 1sa1 h TYR 210 N 0.65 0.48 -0.66 1.25 5.03 0.11 -3.31 116.97 120.52 1sa1 h TYR 210 Ca 0.53 -0.32 0.04 0.00 2.58 0.00 0.00 58.73 61.57 1sa1 h TYR 210 Cb 0.98 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.18 1sa1 h TYR 210 CO -0.00 1.20 0.39 -0.44 -1.32 0.00 0.00 178.16 177.99 1sa1 h ASP 211 N -0.39 0.62 0.20 -2.11 3.32 0.61 0.97 116.42 119.65 1sa1 h ASP 211 Ca -0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1sa1 h ASP 211 Cb 1.44 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1sa1 h ASP 211 CO 0.12 0.42 -0.15 0.40 -1.72 0.00 0.00 179.24 178.31 1sa1 h ILE 212 N 0.75 0.97 0.00 0.35 5.03 -0.01 -0.06 117.51 124.55 1sa1 h ILE 212 Ca 0.27 -0.54 -0.17 0.00 -0.12 0.00 0.00 64.86 64.30 1sa1 h ILE 212 Cb 0.08 1.30 -0.02 0.00 -3.03 0.00 0.00 36.82 35.15 1sa1 h ILE 212 CO -0.13 0.15 -0.84 0.00 -0.68 0.00 0.00 178.15 176.65 1sa1 n PHE 214 N -3.26 -0.11 0.28 0.00 7.35 -1.00 -2.67 117.46 118.05 1sa1 n PHE 214 Ca -0.00 0.02 0.16 0.00 -0.76 0.00 0.00 57.45 56.86 1sa1 n PHE 214 Cb 0.85 0.07 0.85 0.00 0.35 0.00 0.00 39.48 41.60 1sa1 n PHE 214 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sa1 h ARG 215 N 0.00 0.00 -1.00 -4.13 2.47 -1.19 -3.31 114.38 107.22 1sa1 h ARG 215 Ca 0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.35 1sa1 h ARG 215 Cb 0.59 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 28.64 1sa1 h ARG 215 CO 0.00 0.06 -0.81 0.25 0.56 0.00 0.00 179.97 180.03 1sa1 n THR 216 N -3.50 -0.16 0.00 2.04 -2.24 -1.16 -4.93 114.28 104.33 1sa1 n THR 216 Ca -0.02 -2.96 0.00 0.00 -2.27 0.00 0.00 64.05 58.80 1sa1 n THR 216 Cb 0.19 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1sa1 n THR 216 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sa1 n LEU 217 N 0.65 0.00 0.00 3.22 4.32 -1.16 -4.63 117.00 119.39 1sa1 n LEU 217 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1sa1 n LEU 217 Cb 0.65 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1sa1 n LEU 217 CO 0.12 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.58 1sa1 n LYS 218 N 0.00 0.00 -2.01 3.23 4.76 -1.25 -4.74 118.16 118.15 1sa1 n LYS 218 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1sa1 n LYS 218 Cb 0.00 -2.93 -0.03 0.00 -1.84 0.00 0.00 35.03 30.23 1sa1 n LYS 218 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1sa1 s LEU 219 N 0.00 3.61 -0.05 -0.35 0.05 -1.09 -4.97 118.68 115.89 1sa1 s LEU 219 Ca 0.00 1.43 -0.23 0.00 0.05 0.00 0.00 54.13 55.38 1sa1 s LEU 219 Cb 0.00 -3.53 -0.18 0.00 -2.05 0.00 0.00 46.19 40.43 1sa1 s LEU 219 CO 0.00 -1.59 0.99 0.74 -0.55 0.00 0.00 176.35 175.94 1sa1 h THR 220 N 6.64 1.10 -3.44 5.48 2.02 -1.90 -3.37 112.91 119.44 1sa1 h THR 220 Ca -0.34 -1.24 -0.73 0.00 0.77 0.00 0.00 66.41 64.87 1sa1 h THR 220 Cb 1.17 1.83 -0.30 0.00 -1.74 0.00 0.00 68.15 69.11 1sa1 h THR 220 CO 1.02 0.28 -0.31 -0.89 0.37 0.00 0.00 175.52 175.98 1sa1 s THR 221 N -3.59 4.28 -0.23 3.16 2.01 -1.26 -5.04 115.64 114.97 1sa1 s THR 221 Ca -0.14 -2.17 -0.29 0.00 0.31 0.00 0.00 61.69 59.40 1sa1 s THR 221 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1sa1 s THR 221 CO 0.56 -0.84 1.85 -2.84 -0.69 0.00 0.00 174.62 172.66 1sa1 s PRO 222 N 0.84 3.52 1.15 4.92 0.02 -1.26 -4.97 135.00 139.22 1sa1 s PRO 222 Ca 0.10 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 62.71 1sa1 s PRO 222 Cb -0.22 -4.18 0.17 0.00 0.02 0.00 0.00 34.50 30.29 1sa1 s PRO 222 CO -0.03 -1.64 0.26 2.41 -0.33 0.00 0.00 177.00 177.68 1sa1 n THR 223 N 6.98 0.00 0.14 0.99 -1.04 -1.10 -4.90 114.28 115.34 1sa1 n THR 223 Ca 0.23 -0.26 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1sa1 n THR 223 Cb 0.45 -0.67 0.09 0.00 -1.82 0.00 0.00 70.33 68.38 1sa1 n THR 223 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1sa1 h TYR 224 N -2.43 0.00 0.00 -1.42 -1.99 -1.99 -3.40 116.97 105.74 1sa1 h TYR 224 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1sa1 h TYR 224 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1sa1 h TYR 224 CO -0.76 0.57 0.00 0.41 -0.00 0.00 0.00 178.16 178.38 1sa1 n GLY 225 N 0.93 0.38 3.39 3.88 0.00 -1.26 -1.53 105.19 110.98 1sa1 n GLY 225 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1sa1 n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sa1 n ASP 226 N -0.94 0.23 0.00 1.61 5.75 -1.26 0.22 116.55 122.15 1sa1 n ASP 226 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1sa1 n ASP 226 Cb 0.00 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 38.74 1sa1 n ASP 226 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1sa1 n LEU 227 N 14.81 0.00 0.02 -2.12 7.94 -1.26 -2.73 117.00 133.66 1sa1 n LEU 227 Ca 0.29 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.08 1sa1 n LEU 227 Cb 0.47 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.36 1sa1 n LEU 227 CO 0.57 0.00 0.84 0.78 -1.11 0.00 0.00 177.39 178.48 1sa1 h ASN 228 N 0.00 -0.11 -0.84 1.96 2.35 0.37 -2.61 115.58 116.70 1sa1 h ASN 228 Ca 0.00 0.02 0.24 0.00 -0.55 0.00 0.00 56.30 56.02 1sa1 h ASN 228 Cb 0.00 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1sa1 h ASN 228 CO 0.00 -0.05 0.84 -0.74 -1.65 0.00 0.00 177.43 175.83 1sa1 h HIS 229 N -0.04 0.00 0.00 1.19 -0.00 -1.64 0.36 115.15 115.02 1sa1 h HIS 229 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1sa1 h HIS 229 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1sa1 h HIS 229 CO -0.13 0.00 -0.00 1.25 -0.00 0.00 0.00 177.93 179.05 1sa1 h LEU 230 N 0.00 -0.00 -0.77 0.26 5.85 -1.73 -0.03 115.31 118.89 1sa1 h LEU 230 Ca 0.40 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.24 1sa1 h LEU 230 Cb 2.07 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 43.01 1sa1 h LEU 230 CO -0.00 -0.00 0.36 0.58 -0.34 0.00 0.00 178.44 179.04 1sa1 h VAL 231 N -0.00 0.75 -0.00 1.05 2.07 -0.44 0.33 116.25 120.00 1sa1 h VAL 231 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1sa1 h VAL 231 Cb 0.00 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1sa1 h VAL 231 CO -0.00 0.10 -0.01 0.77 0.02 0.00 0.00 177.57 178.46 1sa1 h SER 232 N 0.56 -0.02 -1.01 0.57 4.64 -1.19 0.40 113.55 117.50 1sa1 h SER 232 Ca 0.41 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.96 1sa1 h SER 232 Cb 0.54 0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 62.54 1sa1 h SER 232 CO -0.34 -0.01 0.63 0.00 -0.87 0.00 0.00 176.83 176.24 1sa1 h ALA 233 N -1.44 1.99 0.46 5.18 0.00 0.29 0.31 119.26 126.05 1sa1 h ALA 233 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1sa1 h ALA 233 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sa1 h ALA 233 CO -0.00 -0.39 -0.30 1.15 0.00 0.00 0.00 179.25 179.71 1sa1 h THR 234 N 0.53 0.38 -0.88 0.00 2.02 -0.74 -2.74 112.91 111.49 1sa1 h THR 234 Ca 0.59 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.93 1sa1 h THR 234 Cb 1.25 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 1sa1 h THR 234 CO -0.35 0.00 0.57 0.24 0.37 0.00 0.00 175.52 176.35 1sa1 h MET 235 N -0.73 0.55 0.15 6.66 2.86 0.18 -1.04 114.93 123.57 1sa1 h MET 235 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1sa1 h MET 235 Cb 0.61 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1sa1 h MET 235 CO 0.04 0.37 -0.12 1.03 1.06 0.00 0.00 176.91 179.28 1sa1 h SER 236 N 0.57 -0.33 0.00 1.22 0.87 -1.16 -2.69 113.55 112.03 1sa1 h SER 236 Ca 0.45 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1sa1 h SER 236 Cb 0.88 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1sa1 h SER 236 CO -0.19 -0.17 0.01 0.61 -0.53 0.00 0.00 176.83 176.55 1sa1 n GLY 237 N -1.15 -0.15 0.08 5.77 0.00 -0.74 -0.78 105.19 108.22 1sa1 n GLY 237 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1sa1 n GLY 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sa1 n VAL 238 N -1.13 1.06 -0.04 1.61 0.31 -0.47 -4.40 118.33 115.27 1sa1 n VAL 238 Ca 0.00 -0.76 -0.08 0.00 -0.01 0.00 0.00 64.34 63.49 1sa1 n VAL 238 Cb 0.01 -0.39 -0.14 0.00 -0.91 0.00 0.00 33.84 32.41 1sa1 n VAL 238 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1sa1 n THR 239 N -2.65 1.47 0.00 2.52 -2.24 -0.33 -4.68 114.28 108.37 1sa1 n THR 239 Ca -0.24 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1sa1 n THR 239 Cb 1.00 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1sa1 n THR 239 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sa1 n THR 240 N -2.92 0.00 -0.33 4.28 -2.24 0.04 0.08 114.28 113.19 1sa1 n THR 240 Ca -0.22 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.75 1sa1 n THR 240 Cb 1.06 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.72 1sa1 n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa1 n LEU 242 N -4.72 0.26 0.04 0.00 -0.00 0.11 -3.36 117.00 109.34 1sa1 n LEU 242 Ca 0.25 0.53 0.02 0.00 -0.00 0.00 0.00 56.01 56.81 1sa1 n LEU 242 Cb 0.75 -0.46 -0.07 0.00 -0.00 0.00 0.00 43.42 43.64 1sa1 n LEU 242 CO 0.23 -0.12 -0.24 0.54 -0.00 0.00 0.00 177.39 177.80 1sa1 n ARG 243 N -1.75 0.62 0.00 1.47 1.74 0.37 -4.86 116.66 114.25 1sa1 n ARG 243 Ca 0.06 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1sa1 n ARG 243 Cb 0.34 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1sa1 n ARG 243 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sa1 n PHE 244 N -2.85 0.00 0.00 -1.55 0.99 -0.80 -4.16 117.46 109.09 1sa1 n PHE 244 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 1sa1 n PHE 244 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.27 1sa1 n PHE 244 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1sa1 n PRO 245 N 0.00 1.63 -0.11 -1.08 -0.05 -1.26 -4.43 135.00 129.70 1sa1 n PRO 245 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 63.50 63.21 1sa1 n PRO 245 Cb 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 33.50 33.34 1sa1 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sa1 n GLY 246 N 5.00 -0.49 3.53 0.55 0.00 -1.26 -4.84 105.19 107.67 1sa1 n GLY 246 Ca 0.00 -0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 1sa1 n GLY 246 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sa1 n GLN 247 N -3.85 1.46 0.00 1.61 1.13 -1.26 -4.36 117.38 112.12 1sa1 n GLN 247 Ca -0.45 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1sa1 n GLN 247 Cb 0.91 -2.89 0.00 0.00 0.11 0.00 0.00 30.24 28.37 1sa1 n GLN 247 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1sa1 n LEU 248 N 11.25 0.00 0.00 1.08 -0.00 -1.26 -4.83 117.00 123.24 1sa1 n LEU 248 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1sa1 n LEU 248 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1sa1 n LEU 248 CO 0.71 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.69 1sa1 n ASN 249 N 3.23 0.00 -2.68 1.45 3.02 -1.26 -4.89 115.26 114.13 1sa1 n ASN 249 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1sa1 n ASN 249 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sa1 n ASN 249 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sa1 n ALA 250 N -1.14 -3.26 0.49 5.41 0.00 -1.26 -3.57 120.51 117.18 1sa1 n ALA 250 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1sa1 n ALA 250 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1sa1 n ALA 250 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sa1 n ASP 251 N 0.21 1.27 0.00 0.00 9.92 -1.26 -4.61 116.55 122.08 1sa1 n ASP 251 Ca 0.05 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 1sa1 n ASP 251 Cb 0.20 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1sa1 n ASP 251 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sa1 n LEU 252 N 0.66 0.00 0.13 0.64 7.94 -1.26 -3.13 117.00 121.98 1sa1 n LEU 252 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1sa1 n LEU 252 Cb 0.22 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.10 1sa1 n LEU 252 CO 0.00 0.00 0.62 -0.09 -1.11 0.00 0.00 177.39 176.81 1sa1 h ARG 253 N 0.00 -0.60 -0.92 1.96 9.65 -1.94 -1.73 114.38 120.80 1sa1 h ARG 253 Ca 0.00 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.04 1sa1 h ARG 253 Cb 0.00 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 28.63 1sa1 h ARG 253 CO 0.00 -0.40 0.54 0.87 2.80 0.00 0.00 179.97 183.79 1sa1 h LYS 254 N -0.62 0.82 -0.81 0.20 6.56 -1.86 0.85 116.57 121.71 1sa1 h LYS 254 Ca 0.02 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1sa1 h LYS 254 Cb 0.63 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1sa1 h LYS 254 CO -0.19 0.54 0.00 -0.11 -2.06 0.00 0.00 179.45 177.63 1sa1 n LEU 255 N -4.72 0.81 0.01 2.94 0.00 -0.97 -3.46 117.00 111.62 1sa1 n LEU 255 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 56.01 55.76 1sa1 n LEU 255 Cb 0.36 -0.41 -0.01 0.00 0.00 0.00 0.00 43.42 43.37 1sa1 n LEU 255 CO 0.25 0.20 -0.11 0.00 0.00 0.00 0.00 177.39 177.73 1sa1 n ALA 256 N -0.07 2.48 -0.29 1.96 0.00 0.29 -4.37 120.51 120.50 1sa1 n ALA 256 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1sa1 n ALA 256 Cb 0.20 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1sa1 n ALA 256 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1sa1 n VAL 257 N -3.41 1.27 0.00 0.00 3.14 -0.82 0.51 118.33 119.02 1sa1 n VAL 257 Ca -0.02 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1sa1 n VAL 257 Cb 0.09 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 1sa1 n VAL 257 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1sa1 n ASN 258 N 1.64 0.00 -0.08 6.55 2.85 -1.22 -4.88 115.26 120.11 1sa1 n ASN 258 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 1sa1 n ASN 258 Cb 0.32 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.23 1sa1 n ASN 258 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1sa1 n MET 259 N -0.06 1.33 -4.06 1.20 2.81 0.18 -4.89 117.12 113.64 1sa1 n MET 259 Ca 0.00 0.01 -0.34 0.00 -1.81 0.00 0.00 57.70 55.56 1sa1 n MET 259 Cb 0.00 -1.39 -0.15 0.00 -0.71 0.00 0.00 33.22 30.97 1sa1 n MET 259 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1sa1 s VAL 260 N -2.37 2.83 -0.32 2.03 -7.23 0.25 -4.63 120.40 110.96 1sa1 s VAL 260 Ca -0.11 -0.68 0.20 0.00 -1.81 0.00 0.00 61.98 59.58 1sa1 s VAL 260 Cb 0.05 -2.25 0.24 0.00 0.56 0.00 0.00 36.38 34.97 1sa1 s VAL 260 CO 0.59 0.48 1.56 -0.65 -0.31 0.00 0.00 175.10 176.76 1sa1 h PRO 261 N 7.95 0.00 -4.64 4.82 0.11 -1.92 -3.44 132.00 134.87 1sa1 h PRO 261 Ca -0.42 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.32 1sa1 h PRO 261 Cb 1.16 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.99 1sa1 h PRO 261 CO 0.61 0.19 -0.77 -0.06 -0.21 0.00 0.00 178.00 177.76 1sa1 s PHE 262 N -3.13 0.73 0.30 0.65 0.40 -1.26 -5.02 117.98 110.65 1sa1 s PHE 262 Ca 0.06 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 1sa1 s PHE 262 Cb 0.06 -0.46 0.77 0.00 0.51 0.00 0.00 43.02 43.90 1sa1 s PHE 262 CO 0.70 -0.01 1.67 -1.00 0.70 0.00 0.00 175.22 177.27 1sa1 h PRO 263 N 5.71 0.29 -2.73 0.24 0.13 -2.00 -2.89 132.00 130.75 1sa1 h PRO 263 Ca -0.31 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1sa1 h PRO 263 Cb 1.19 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1sa1 h PRO 263 CO 0.48 0.19 0.35 0.54 -0.23 0.00 0.00 178.00 179.34 1sa1 n ARG 264 N -5.13 0.06 0.00 0.86 5.12 -1.26 -4.67 116.66 111.63 1sa1 n ARG 264 Ca 0.23 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1sa1 n ARG 264 Cb 0.72 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 1sa1 n ARG 264 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1sa1 n LEU 265 N 2.74 0.00 -0.43 0.55 -0.00 -1.09 -4.72 117.00 114.05 1sa1 n LEU 265 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1sa1 n LEU 265 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1sa1 n LEU 265 CO 0.19 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 178.99 1sa1 n HIS 266 N 0.00 0.00 -4.00 1.47 8.25 -1.26 -4.13 115.22 115.55 1sa1 n HIS 266 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1sa1 n HIS 266 Cb 0.00 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 30.90 1sa1 n HIS 266 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sa1 s PHE 267 N 0.00 3.48 -0.06 4.41 0.40 -1.26 -4.40 117.98 120.55 1sa1 s PHE 267 Ca 0.00 0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 56.54 1sa1 s PHE 267 Cb 0.00 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 1sa1 s PHE 267 CO 0.00 0.66 0.56 -0.06 0.70 0.00 0.00 175.22 177.07 1sa1 s PHE 268 N -1.07 3.60 -0.05 0.36 2.99 -0.56 -4.62 117.98 118.63 1sa1 s PHE 268 Ca 0.17 1.07 -0.24 0.00 0.00 0.00 0.00 56.93 57.94 1sa1 s PHE 268 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 43.02 40.26 1sa1 s PHE 268 CO 0.07 0.24 0.72 0.00 -0.00 0.00 0.00 175.22 176.25 1sa1 s MET 269 N 0.28 4.45 0.72 0.44 0.23 -0.22 -1.92 119.30 123.28 1sa1 s MET 269 Ca 0.30 0.92 -0.09 0.00 -1.03 0.00 0.00 55.69 55.79 1sa1 s MET 269 Cb -0.17 -3.44 0.16 0.00 -1.53 0.00 0.00 34.83 29.86 1sa1 s MET 269 CO 0.14 0.09 0.98 -0.35 -2.03 0.00 0.00 175.02 173.86 1sa1 n PRO 270 N 3.65 -0.69 -3.60 3.16 -0.05 -1.26 -1.17 135.00 135.03 1sa1 n PRO 270 Ca -0.01 -1.84 -0.10 0.00 -0.05 0.00 0.00 63.50 61.50 1sa1 n PRO 270 Cb 0.51 -0.91 -0.06 0.00 -0.05 0.00 0.00 33.50 32.99 1sa1 n PRO 270 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1sa1 s GLY 271 N -5.09 -0.21 0.51 0.55 0.00 -0.95 -0.83 107.32 101.29 1sa1 s GLY 271 Ca 0.58 2.32 0.05 0.00 0.00 0.00 0.00 44.72 47.67 1sa1 s GLY 271 CO 0.40 1.38 0.29 -0.12 0.00 0.00 0.00 173.10 175.04 1sa1 s PHE 272 N -0.54 1.91 0.00 1.90 5.36 -1.24 -1.33 117.98 124.05 1sa1 s PHE 272 Ca 0.00 -0.80 0.00 0.00 -0.96 0.00 0.00 56.93 55.18 1sa1 s PHE 272 Cb -0.02 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1sa1 s PHE 272 CO -0.02 -0.20 0.00 0.00 -1.46 0.00 0.00 175.22 173.54 1sa1 n ALA 273 N -1.56 0.00 -2.41 11.12 0.00 -0.51 -4.46 120.51 122.69 1sa1 n ALA 273 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 1sa1 n ALA 273 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 1sa1 n ALA 273 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sa1 s PRO 274 N 0.59 3.85 0.10 0.00 0.05 -1.26 -4.81 135.00 133.52 1sa1 s PRO 274 Ca 0.00 0.33 0.02 0.00 0.05 0.00 0.00 61.00 61.39 1sa1 s PRO 274 Cb 0.00 -2.73 -0.04 0.00 0.05 0.00 0.00 34.50 31.77 1sa1 s PRO 274 CO 0.00 0.37 -0.06 -0.48 0.05 0.00 0.00 177.00 176.88 1sa1 s LEU 275 N -2.55 2.48 0.00 -3.56 0.05 -1.26 -5.05 118.68 108.78 1sa1 s LEU 275 Ca 0.44 -1.02 0.00 0.00 0.05 0.00 0.00 54.13 53.60 1sa1 s LEU 275 Cb -0.12 -0.05 0.00 0.00 -2.05 0.00 0.00 46.19 43.96 1sa1 s LEU 275 CO 0.20 -0.48 0.00 0.41 -0.55 0.00 0.00 176.35 175.93 1sa1 n THR 276 N -0.05 0.00 0.00 5.48 -1.04 -1.26 -4.96 114.28 112.46 1sa1 n THR 276 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1sa1 n THR 276 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1sa1 n THR 276 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sa1 n SER 277 N 0.00 0.00 0.00 8.00 3.41 -1.26 -4.60 113.62 119.17 1sa1 n SER 277 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sa1 n SER 277 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sa1 n SER 277 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sa1 n ARG 278 N 0.00 0.00 0.00 4.33 3.00 -1.26 -5.04 116.66 117.69 1sa1 n ARG 278 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1sa1 n ARG 278 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1sa1 n ARG 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sa1 n GLY 279 N -0.65 0.87 0.00 -0.13 0.00 -1.26 -4.88 105.19 99.13 1sa1 n GLY 279 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sa1 n GLY 279 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sa1 n SER 280 N 0.17 0.00 -2.96 1.61 2.88 -1.26 -5.06 113.62 109.00 1sa1 n SER 280 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1sa1 n SER 280 Cb 0.15 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.62 1sa1 n SER 280 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sa1 n GLN 281 N 0.00 -3.47 -2.71 -1.46 3.00 -1.26 -4.93 117.38 106.56 1sa1 n GLN 281 Ca 0.00 0.69 -0.41 0.00 -0.01 0.00 0.00 57.00 57.27 1sa1 n GLN 281 Cb 0.00 -5.42 0.02 0.00 0.00 0.00 0.00 30.24 24.84 1sa1 n GLN 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sa1 n GLN 282 N -3.56 5.25 0.10 -1.09 0.00 -1.26 -4.61 117.38 112.22 1sa1 n GLN 282 Ca -0.10 -4.63 -0.03 0.00 0.00 0.00 0.00 57.00 52.24 1sa1 n GLN 282 Cb 0.60 -2.48 0.00 0.00 0.00 0.00 0.00 30.24 28.36 1sa1 n GLN 282 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1sa1 h TYR 283 N 4.47 0.00 0.00 2.61 3.20 -2.04 -3.48 116.97 121.73 1sa1 h TYR 283 Ca 0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.34 1sa1 h TYR 283 Cb 0.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1sa1 h TYR 283 CO 1.28 0.76 0.00 -2.13 -1.64 0.00 0.00 178.16 176.43 1sa1 n ARG 284 N -3.40 0.00 -0.84 1.82 0.63 -1.26 -4.85 116.66 108.75 1sa1 n ARG 284 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1sa1 n ARG 284 Cb 0.80 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.68 1sa1 n ARG 284 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sa1 n ALA 285 N 0.00 0.24 -3.03 5.13 0.00 -1.26 -4.60 120.51 116.98 1sa1 n ALA 285 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 53.44 52.05 1sa1 n ALA 285 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1sa1 n ALA 285 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sa1 n LEU 286 N 5.00 4.92 -0.34 0.00 4.77 -1.26 -5.01 117.00 125.08 1sa1 n LEU 286 Ca 0.13 -5.54 0.32 0.00 -0.03 0.00 0.00 56.01 50.89 1sa1 n LEU 286 Cb 0.29 -0.75 0.57 0.00 -2.33 0.00 0.00 43.42 41.20 1sa1 n LEU 286 CO 0.51 2.17 1.02 0.41 -1.33 0.00 0.00 177.39 180.17 1sa1 n THR 287 N 0.21 -0.34 0.00 -5.08 -1.04 -1.26 -3.88 114.28 102.89 1sa1 n THR 287 Ca 0.33 1.79 0.00 0.00 -2.04 0.00 0.00 64.05 64.13 1sa1 n THR 287 Cb 0.37 -2.92 0.00 0.00 -1.82 0.00 0.00 70.33 65.96 1sa1 n THR 287 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1sa1 n VAL 288 N -4.90 0.00 0.07 12.58 0.31 -1.26 -4.80 118.33 120.33 1sa1 n VAL 288 Ca 0.35 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.55 1sa1 n VAL 288 Cb 1.26 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 34.11 1sa1 n VAL 288 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sa1 h PRO 289 N 0.00 -0.58 -0.94 5.55 0.11 -1.93 -1.20 132.00 133.00 1sa1 h PRO 289 Ca 0.00 0.04 0.26 0.00 0.11 0.00 0.00 66.00 66.41 1sa1 h PRO 289 Cb 0.00 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.20 1sa1 h PRO 289 CO 0.00 -0.39 0.66 0.93 -0.21 0.00 0.00 178.00 178.99 1sa1 h GLU 290 N -0.60 0.09 0.24 1.05 5.08 -1.87 0.14 114.58 118.72 1sa1 h GLU 290 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1sa1 h GLU 290 Cb 0.63 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1sa1 h GLU 290 CO -0.27 0.06 -0.12 1.25 -1.00 0.00 0.00 179.01 178.93 1sa1 h LEU 291 N 0.10 -0.28 -0.36 1.33 6.46 -1.65 -3.13 115.31 117.78 1sa1 h LEU 291 Ca 0.46 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.28 1sa1 h LEU 291 Cb 1.67 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 41.59 1sa1 h LEU 291 CO -0.06 -0.02 -0.52 0.71 -0.62 0.00 0.00 178.44 177.93 1sa1 h THR 292 N -0.69 0.03 -0.85 1.05 1.35 -0.45 -1.58 112.91 111.77 1sa1 h THR 292 Ca -0.03 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.98 1sa1 h THR 292 Cb 0.25 0.03 -0.15 0.00 -1.73 0.00 0.00 68.15 66.55 1sa1 h THR 292 CO 0.06 0.00 -0.29 1.56 -0.25 0.00 0.00 175.52 176.59 1sa1 h GLN 293 N -0.42 -0.03 0.00 4.72 1.08 -0.91 0.80 115.11 120.35 1sa1 h GLN 293 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1sa1 h GLN 293 Cb 0.61 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1sa1 h GLN 293 CO -0.56 -0.02 0.00 0.37 -0.95 0.00 0.00 178.83 177.66 1sa1 h GLN 294 N -0.04 0.00 0.10 1.46 4.15 -1.34 -3.22 115.11 116.23 1sa1 h GLN 294 Ca 0.36 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.45 1sa1 h GLN 294 Cb 0.61 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1sa1 h GLN 294 CO -0.88 0.00 -1.80 1.98 -1.93 0.00 0.00 178.83 176.20 1sa1 h MET 295 N 0.00 0.20 -1.00 1.69 4.05 0.15 -3.35 114.93 116.68 1sa1 h MET 295 Ca 0.00 -0.35 -0.33 0.00 -0.28 0.00 0.00 59.70 58.75 1sa1 h MET 295 Cb 0.36 0.13 -0.20 0.00 -0.80 0.00 0.00 31.60 31.10 1sa1 h MET 295 CO 0.00 1.01 0.42 1.19 0.23 0.00 0.00 176.91 179.76 1sa1 n PHE 296 N -3.37 1.96 -4.04 1.39 3.01 -0.57 -4.72 117.46 111.11 1sa1 n PHE 296 Ca -0.24 -1.35 -0.36 0.00 1.01 0.00 0.00 57.45 56.51 1sa1 n PHE 296 Cb 1.05 -0.69 -0.07 0.00 -0.01 0.00 0.00 39.48 39.76 1sa1 n PHE 296 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1sa1 s ASP 297 N -0.47 6.00 0.06 4.37 2.15 -1.25 -5.03 116.67 122.51 1sa1 s ASP 297 Ca 0.36 0.36 -0.18 0.00 0.43 0.00 0.00 52.55 53.52 1sa1 s ASP 297 Cb 0.31 -1.87 -0.07 0.00 -0.30 0.00 0.00 42.92 40.98 1sa1 s ASP 297 CO 0.07 0.39 1.29 0.00 -0.17 0.00 0.00 175.17 176.76 1sa1 h ALA 298 N 5.07 -0.71 0.00 3.66 0.00 -1.88 -1.97 119.26 123.43 1sa1 h ALA 298 Ca -0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1sa1 h ALA 298 Cb 1.22 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1sa1 h ALA 298 CO 0.57 -0.81 0.00 0.36 0.00 0.00 0.00 179.25 179.37 1sa1 n LYS 299 N -4.07 0.21 0.00 0.00 0.00 -1.26 -2.21 118.16 110.83 1sa1 n LYS 299 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1sa1 n LYS 299 Cb 0.21 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.19 1sa1 n LYS 299 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sa1 n ASN 300 N -0.06 0.30 -4.90 -5.58 2.85 -0.76 -4.84 115.26 102.28 1sa1 n ASN 300 Ca 0.00 -1.15 -0.28 0.00 -0.11 0.00 0.00 54.58 53.04 1sa1 n ASN 300 Cb 0.03 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1sa1 n ASN 300 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1sa1 s MET 301 N -0.15 3.50 0.00 1.20 -1.94 -0.94 -3.59 119.30 117.39 1sa1 s MET 301 Ca 0.00 0.33 0.25 0.00 -1.71 0.00 0.00 55.69 54.57 1sa1 s MET 301 Cb 0.00 -2.29 0.59 0.00 2.01 0.00 0.00 34.83 35.14 1sa1 s MET 301 CO 0.00 -0.35 1.47 -1.33 -0.01 0.00 0.00 175.02 174.81 1sa1 n MET 302 N -2.42 0.01 -5.30 2.03 2.81 -0.01 -4.79 117.12 109.45 1sa1 n MET 302 Ca 0.02 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.61 1sa1 n MET 302 Cb 0.55 -1.51 -0.16 0.00 -0.71 0.00 0.00 33.22 31.39 1sa1 n MET 302 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sa1 s ALA 303 N -3.01 2.16 -0.48 3.04 0.00 -1.26 -1.94 121.76 120.28 1sa1 s ALA 303 Ca 0.11 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 1sa1 s ALA 303 Cb 0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 1sa1 s ALA 303 CO 0.68 0.52 2.39 0.00 0.00 0.00 0.00 175.76 179.35 1sa1 n ALA 304 N 2.48 0.96 0.00 0.00 0.00 -1.26 -4.72 120.51 117.97 1sa1 n ALA 304 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1sa1 n ALA 304 Cb 0.51 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1sa1 n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 s ASP 306 N 0.00 4.33 0.29 0.00 3.84 -1.26 -4.78 116.67 119.09 1sa1 s ASP 306 Ca 0.00 -2.43 -0.19 0.00 -0.00 0.00 0.00 52.55 49.93 1sa1 s ASP 306 Cb 0.00 -1.42 -0.13 0.00 -1.38 0.00 0.00 42.92 39.99 1sa1 s ASP 306 CO 0.00 -0.32 0.17 -2.65 -0.00 0.00 0.00 175.17 172.37 1sa1 n PRO 307 N 3.87 0.00 0.00 2.11 -0.02 -1.26 -2.56 135.00 137.14 1sa1 n PRO 307 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1sa1 n PRO 307 Cb 0.38 -0.83 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 1sa1 n PRO 307 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1sa1 n ARG 308 N 1.03 0.00 0.00 -0.52 3.00 -1.26 -4.78 116.66 114.13 1sa1 n ARG 308 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1sa1 n ARG 308 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.76 1sa1 n ARG 308 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1sa1 n HIS 309 N 0.00 0.00 -3.64 -0.14 8.25 -1.06 -4.52 115.22 114.11 1sa1 n HIS 309 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1sa1 n HIS 309 Cb 0.00 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 1sa1 n HIS 309 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sa1 s GLY 310 N -0.74 -0.09 0.82 -1.41 0.00 -1.26 -4.57 107.32 100.06 1sa1 s GLY 310 Ca 0.00 3.02 -0.11 0.00 0.00 0.00 0.00 44.72 47.63 1sa1 s GLY 310 CO 0.00 2.51 1.09 0.50 0.00 0.00 0.00 173.10 177.20 1sa1 s ARG 311 N 1.29 1.92 -0.17 2.90 0.52 -1.26 -4.37 118.95 119.77 1sa1 s ARG 311 Ca -0.08 0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 55.82 1sa1 s ARG 311 Cb -0.04 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 1sa1 s ARG 311 CO -0.15 -1.77 0.15 0.71 0.02 0.00 0.00 175.30 174.26 1sa1 s TYR 312 N -3.04 3.48 -0.02 -0.53 4.12 -1.25 -1.42 117.35 118.68 1sa1 s TYR 312 Ca 0.61 0.42 -0.01 0.00 0.02 0.00 0.00 57.07 58.11 1sa1 s TYR 312 Cb -0.16 -2.11 -0.01 0.00 -1.52 0.00 0.00 41.96 38.17 1sa1 s TYR 312 CO 0.55 0.43 0.16 -0.07 0.02 0.00 0.00 175.55 176.64 1sa1 h LEU 313 N 6.12 -0.04 -7.54 -1.29 4.07 -0.84 -2.10 115.31 113.70 1sa1 h LEU 313 Ca -0.45 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.37 1sa1 h LEU 313 Cb 1.18 0.01 -0.22 0.00 1.08 0.00 0.00 40.66 42.71 1sa1 h LEU 313 CO 0.70 0.09 -0.36 0.42 -1.08 0.00 0.00 178.44 178.20 1sa1 s THR 314 N -1.52 0.04 -0.05 0.22 -4.23 -0.90 -4.74 115.64 104.46 1sa1 s THR 314 Ca -0.01 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.12 1sa1 s THR 314 Cb 0.00 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.36 1sa1 s THR 314 CO 0.02 -0.19 0.13 -0.69 -0.54 0.00 0.00 174.62 173.36 1sa1 s VAL 315 N -0.77 0.01 -0.07 2.29 1.01 0.56 -1.87 120.40 121.56 1sa1 s VAL 315 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1sa1 s VAL 315 Cb -0.04 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1sa1 s VAL 315 CO 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 175.10 174.99 1sa1 s ALA 316 N -0.01 1.18 -0.05 5.51 0.00 -0.23 -2.50 121.76 125.67 1sa1 s ALA 316 Ca -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1sa1 s ALA 316 Cb -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1sa1 s ALA 316 CO 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 175.76 175.73 1sa1 s ALA 317 N 0.83 0.83 -0.02 0.00 0.00 -0.82 0.12 121.76 122.69 1sa1 s ALA 317 Ca -0.12 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.77 1sa1 s ALA 317 Cb -0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1sa1 s ALA 317 CO 0.02 0.03 -0.25 0.14 0.00 0.00 0.00 175.76 175.71 1sa1 s VAL 318 N 0.81 2.18 0.18 0.00 -7.23 0.56 -1.30 120.40 115.60 1sa1 s VAL 318 Ca -0.13 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1sa1 s VAL 318 Cb -0.15 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1sa1 s VAL 318 CO 0.01 0.58 0.23 -0.36 -0.31 0.00 0.00 175.10 175.25 1sa1 s PHE 319 N -0.63 3.31 -0.09 2.82 0.40 0.45 -0.73 117.98 123.52 1sa1 s PHE 319 Ca 0.10 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1sa1 s PHE 319 Cb -0.10 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.91 1sa1 s PHE 319 CO -0.01 0.51 0.16 0.50 0.70 0.00 0.00 175.22 177.07 1sa1 s ARG 320 N -3.38 0.03 0.00 0.44 6.06 0.56 -1.45 118.95 121.21 1sa1 s ARG 320 Ca 0.33 0.54 0.00 0.00 -2.50 0.00 0.00 55.73 54.10 1sa1 s ARG 320 Cb -0.10 -0.33 0.00 0.00 0.06 0.00 0.00 34.95 34.58 1sa1 s ARG 320 CO 0.26 -0.32 0.00 0.41 -2.50 0.00 0.00 175.30 173.15 1sa1 n GLY 321 N 5.32 0.71 3.19 8.12 0.00 0.84 -1.29 105.19 122.09 1sa1 n GLY 321 Ca -0.05 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 1sa1 n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sa1 s ARG 322 N -2.00 3.55 0.00 1.61 0.52 -1.22 -4.02 118.95 117.39 1sa1 s ARG 322 Ca 0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 55.73 52.04 1sa1 s ARG 322 Cb 0.00 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 31.31 1sa1 s ARG 322 CO 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 175.30 174.07 1sa1 n MET 323 N 2.60 0.71 -3.66 3.54 0.00 -1.26 -5.01 117.12 114.05 1sa1 n MET 323 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.71 1sa1 n MET 323 Cb 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.43 1sa1 n MET 323 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1sa1 s SER 324 N 1.00 1.26 0.36 3.17 1.04 -1.26 -4.94 113.70 114.33 1sa1 s SER 324 Ca 0.00 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.52 1sa1 s SER 324 Cb 0.00 -0.09 0.45 0.00 0.10 0.00 0.00 66.02 66.48 1sa1 s SER 324 CO 0.00 -0.27 1.10 0.24 0.98 0.00 0.00 173.24 175.30 1sa1 h MET 325 N 8.42 0.00 -0.80 4.02 2.86 -2.01 0.70 114.93 128.13 1sa1 h MET 325 Ca -0.13 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1sa1 h MET 325 Cb 1.12 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 1sa1 h MET 325 CO 0.17 0.00 0.52 0.87 1.06 0.00 0.00 176.91 179.53 1sa1 h LYS 326 N 0.00 1.06 0.03 1.72 1.57 -2.00 -1.63 116.57 117.32 1sa1 h LYS 326 Ca 0.00 -0.07 -0.34 0.00 -1.87 0.00 0.00 60.65 58.37 1sa1 h LYS 326 Cb 1.03 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 1sa1 h LYS 326 CO 0.00 0.71 -2.05 -1.91 -0.57 0.00 0.00 179.45 175.62 1sa1 n GLU 327 N -4.52 0.68 0.09 3.15 2.13 0.23 -4.14 120.64 118.26 1sa1 n GLU 327 Ca 0.08 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 1sa1 n GLU 327 Cb 0.02 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 29.98 1sa1 n GLU 327 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1sa1 h VAL 328 N 0.02 0.95 -0.77 6.31 2.07 -1.05 0.77 116.25 124.55 1sa1 h VAL 328 Ca -0.42 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1sa1 h VAL 328 Cb 2.06 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1sa1 h VAL 328 CO 0.05 0.16 0.51 0.44 0.02 0.00 0.00 177.57 178.74 1sa1 h ASP 329 N -0.58 0.82 -0.36 0.57 3.32 -1.53 0.45 116.42 119.11 1sa1 h ASP 329 Ca -0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1sa1 h ASP 329 Cb 0.43 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1sa1 h ASP 329 CO 0.04 0.57 0.16 -0.08 -1.72 0.00 0.00 179.24 178.21 1sa1 h GLU 330 N 0.96 0.54 -0.05 3.56 4.81 -1.67 -3.05 114.58 119.69 1sa1 h GLU 330 Ca 0.30 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1sa1 h GLU 330 Cb 0.02 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1sa1 h GLU 330 CO -0.08 0.51 -0.03 0.37 -0.73 0.00 0.00 179.01 179.04 1sa1 h GLN 331 N 0.44 0.10 -0.88 1.92 5.75 0.22 -3.12 115.11 119.55 1sa1 h GLN 331 Ca 0.12 -0.05 0.18 0.00 -0.15 0.00 0.00 58.65 58.75 1sa1 h GLN 331 Cb 0.16 -0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.60 1sa1 h GLN 331 CO -0.01 0.52 0.44 0.52 -2.65 0.00 0.00 178.83 177.64 1sa1 h MET 332 N -0.32 0.54 -0.50 1.69 2.86 -0.25 -1.53 114.93 117.43 1sa1 h MET 332 Ca 0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1sa1 h MET 332 Cb 0.49 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1sa1 h MET 332 CO 0.01 0.36 0.16 -0.07 1.06 0.00 0.00 176.91 178.43 1sa1 h LEU 333 N 0.56 0.72 0.00 1.22 4.07 -1.51 -1.93 115.31 118.44 1sa1 h LEU 333 Ca 0.51 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1sa1 h LEU 333 Cb 0.81 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1sa1 h LEU 333 CO -0.42 0.73 0.00 -3.20 -1.08 0.00 0.00 178.44 174.47 1sa1 n ASN 334 N -4.51 0.00 -0.06 -0.43 5.15 -0.59 -2.21 115.26 112.61 1sa1 n ASN 334 Ca 0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 54.58 54.01 1sa1 n ASN 334 Cb 0.19 -0.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.20 1sa1 n ASN 334 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1sa1 h VAL 335 N 0.00 0.10 0.00 3.44 2.07 -1.18 -3.09 116.25 117.59 1sa1 h VAL 335 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1sa1 h VAL 335 Cb 0.08 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1sa1 h VAL 335 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1sa1 n GLN 336 N -4.73 0.33 0.06 1.57 10.64 -0.94 -0.19 117.38 124.12 1sa1 n GLN 336 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1sa1 n GLN 336 Cb 0.09 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 1sa1 n GLN 336 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1sa1 n ASN 337 N 0.16 0.76 0.00 2.61 3.02 -1.13 -3.20 115.26 117.49 1sa1 n ASN 337 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1sa1 n ASN 337 Cb 0.06 -0.17 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1sa1 n ASN 337 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sa1 n LYS 338 N -3.43 0.10 0.00 3.52 5.02 -1.08 -1.04 118.16 121.25 1sa1 n LYS 338 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1sa1 n LYS 338 Cb 0.05 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1sa1 n LYS 338 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sa1 n ASN 339 N -0.56 0.00 -0.29 4.39 5.03 0.73 -4.99 115.26 119.57 1sa1 n ASN 339 Ca 0.00 -1.00 0.25 0.00 0.87 0.00 0.00 54.58 54.70 1sa1 n ASN 339 Cb 0.00 0.00 0.47 0.00 -1.02 0.00 0.00 39.78 39.23 1sa1 n ASN 339 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1sa1 n SER 340 N 0.00 0.22 -0.18 6.41 3.41 -0.21 -1.87 113.62 121.40 1sa1 n SER 340 Ca 0.00 1.49 -0.11 0.00 -0.26 0.00 0.00 58.87 59.99 1sa1 n SER 340 Cb 0.31 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1sa1 n SER 340 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sa1 h SER 341 N 0.00 -1.65 -2.83 4.04 0.02 -1.88 -3.35 113.55 107.90 1sa1 h SER 341 Ca 0.71 0.23 -0.71 0.00 -0.84 0.00 0.00 61.79 61.17 1sa1 h SER 341 Cb 1.81 0.69 -0.20 0.00 0.14 0.00 0.00 62.40 64.84 1sa1 h SER 341 CO -0.72 -0.30 0.54 -0.31 -1.14 0.00 0.00 176.83 174.89 1sa1 s TYR 342 N -5.21 3.23 0.00 3.45 1.51 -0.78 -4.68 117.35 114.87 1sa1 s TYR 342 Ca -0.12 -1.42 0.00 0.00 -1.01 0.00 0.00 57.07 54.52 1sa1 s TYR 342 Cb 0.08 -4.13 0.00 0.00 -0.11 0.00 0.00 41.96 37.79 1sa1 s TYR 342 CO 0.52 -1.35 0.00 1.19 -1.11 0.00 0.00 175.55 174.80 1sa1 n PHE 343 N 5.98 0.00 0.00 2.71 0.99 -1.26 -3.93 117.46 121.95 1sa1 n PHE 343 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1sa1 n PHE 343 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.95 1sa1 n PHE 343 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1sa1 n VAL 344 N 0.00 0.00 0.21 -4.37 0.31 -0.79 -4.81 118.33 108.88 1sa1 n VAL 344 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1sa1 n VAL 344 Cb 0.00 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.36 1sa1 n VAL 344 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1sa1 h GLU 345 N 0.00 0.00 -0.08 5.55 3.07 -1.91 -3.30 114.58 117.91 1sa1 h GLU 345 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sa1 h GLU 345 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1sa1 h GLU 345 CO 0.00 0.27 0.00 -2.67 -1.40 0.00 0.00 179.01 175.21 1sa1 n TRP 346 N -3.46 0.00 -3.62 4.33 4.27 -1.26 -3.94 117.44 113.76 1sa1 n TRP 346 Ca -0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 1sa1 n TRP 346 Cb 0.45 -0.01 -0.12 0.00 -1.36 0.00 0.00 31.31 30.27 1sa1 n TRP 346 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1sa1 s ILE 347 N -1.91 1.30 0.16 -1.67 1.01 -1.24 -5.05 121.20 113.79 1sa1 s ILE 347 Ca 0.00 -2.98 -0.22 0.00 0.00 0.00 0.00 60.65 57.45 1sa1 s ILE 347 Cb 0.00 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.63 1sa1 s ILE 347 CO 0.00 -1.06 1.31 -2.65 0.00 0.00 0.00 174.94 172.54 1sa1 n PRO 348 N 2.91 -0.31 -0.42 2.79 -0.02 -1.25 -2.09 135.00 136.61 1sa1 n PRO 348 Ca 0.20 1.30 0.08 0.00 -2.02 0.00 0.00 63.50 63.06 1sa1 n PRO 348 Cb 0.40 -1.91 0.25 0.00 -0.02 0.00 0.00 33.50 32.22 1sa1 n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sa1 n ASN 349 N -5.14 3.79 0.00 2.55 4.13 -1.26 -4.88 115.26 114.45 1sa1 n ASN 349 Ca 0.04 -2.95 0.00 0.00 1.68 0.00 0.00 54.58 53.36 1sa1 n ASN 349 Cb 0.27 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 1sa1 n ASN 349 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1sa1 n ASN 350 N -0.46 0.00 -3.57 6.41 2.04 -0.89 -4.23 115.26 114.56 1sa1 n ASN 350 Ca 0.21 0.00 -0.28 0.00 -0.44 0.00 0.00 54.58 54.07 1sa1 n ASN 350 Cb 0.86 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.95 1sa1 n ASN 350 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1sa1 s VAL 351 N -0.27 -0.08 0.21 3.53 0.11 -1.25 0.21 120.40 122.85 1sa1 s VAL 351 Ca 0.00 -0.49 0.10 0.00 -2.93 0.00 0.00 61.98 58.66 1sa1 s VAL 351 Cb 0.00 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1sa1 s VAL 351 CO 0.00 -0.52 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.60 1sa1 s LYS 352 N 2.12 1.99 -0.07 1.54 -0.14 -1.04 -5.03 119.74 119.12 1sa1 s LYS 352 Ca 0.06 -1.37 -0.03 0.00 -1.36 0.00 0.00 55.97 53.27 1sa1 s LYS 352 Cb -0.16 -2.08 0.04 0.00 -1.68 0.00 0.00 37.83 33.95 1sa1 s LYS 352 CO -0.24 0.41 0.12 0.95 -0.76 0.00 0.00 175.35 175.83 1sa1 s THR 353 N -1.88 -0.18 0.20 2.17 -4.23 -1.26 -1.95 115.64 108.51 1sa1 s THR 353 Ca 0.26 0.34 0.11 0.00 -1.18 0.00 0.00 61.69 61.22 1sa1 s THR 353 Cb -0.08 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1sa1 s THR 353 CO 0.15 0.14 -0.19 0.00 -0.54 0.00 0.00 174.62 174.18 1sa1 s ALA 354 N 2.03 2.69 0.12 3.99 0.00 -0.42 -5.01 121.76 125.16 1sa1 s ALA 354 Ca 0.01 -1.63 0.10 0.00 0.00 0.00 0.00 51.96 50.44 1sa1 s ALA 354 Cb -0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1sa1 s ALA 354 CO -0.05 0.42 -0.24 0.14 0.00 0.00 0.00 175.76 176.02 1sa1 s VAL 355 N -1.80 2.06 -0.16 0.00 -7.23 -1.26 0.17 120.40 112.18 1sa1 s VAL 355 Ca 0.23 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 1sa1 s VAL 355 Cb -0.08 -1.84 0.05 0.00 0.56 0.00 0.00 36.38 35.07 1sa1 s VAL 355 CO 0.12 0.02 0.41 0.00 -0.31 0.00 0.00 175.10 175.33 1sa1 n ASP 357 N 3.80 0.00 -4.00 0.00 10.43 -1.26 -0.11 116.55 125.41 1sa1 n ASP 357 Ca -0.20 -0.44 -0.31 0.00 2.57 0.00 0.00 54.79 56.41 1sa1 n ASP 357 Cb 0.56 -0.10 -0.15 0.00 1.84 0.00 0.00 41.12 43.27 1sa1 n ASP 357 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1sa1 s ILE 358 N -2.20 2.24 0.71 0.53 2.07 -1.26 -4.54 121.20 118.76 1sa1 s ILE 358 Ca 0.28 -2.37 -0.17 0.00 -1.41 0.00 0.00 60.65 56.98 1sa1 s ILE 358 Cb 0.14 -2.66 -0.11 0.00 0.13 0.00 0.00 42.46 39.97 1sa1 s ILE 358 CO 0.27 -0.62 -0.06 -2.65 -1.91 0.00 0.00 174.94 169.97 1sa1 n PRO 359 N 4.20 0.10 0.00 3.50 -0.02 -1.26 -4.66 135.00 136.85 1sa1 n PRO 359 Ca 0.04 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1sa1 n PRO 359 Cb 0.41 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1sa1 n PRO 359 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sa1 n PRO 360 N 0.92 0.00 -0.13 0.52 -0.02 -1.26 -5.02 135.00 130.01 1sa1 n PRO 360 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.37 1sa1 n PRO 360 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.15 1sa1 n PRO 360 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1sa1 n ARG 369 N 0.00 -3.59 0.00 -0.52 -4.01 -1.26 -4.89 116.66 102.39 1sa1 n ARG 369 Ca 0.00 -0.83 0.00 0.00 -1.04 0.00 0.00 57.85 55.98 1sa1 n ARG 369 Cb 0.00 -1.09 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 1sa1 n ARG 369 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1sa1 n GLY 370 N -3.27 0.00 0.00 2.89 0.00 -1.26 -4.74 105.19 98.81 1sa1 n GLY 370 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1sa1 n GLY 370 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sa1 n LEU 371 N -0.11 0.00 0.11 0.99 7.99 -1.26 -4.95 117.00 119.78 1sa1 n LEU 371 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.02 1sa1 n LEU 371 Cb 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1sa1 n LEU 371 CO 0.00 0.00 0.28 0.07 -1.51 0.00 0.00 177.39 176.23 1sa1 h LYS 372 N 0.97 0.00 -4.72 3.23 2.10 -1.88 -3.41 116.57 112.86 1sa1 h LYS 372 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 1sa1 h LYS 372 Cb 0.00 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 31.00 1sa1 h LYS 372 CO 0.00 0.45 -0.83 -1.64 -2.00 0.00 0.00 179.45 175.43 1sa1 s MET 373 N -2.96 1.96 -0.29 0.07 -1.94 -1.26 -3.40 119.30 111.48 1sa1 s MET 373 Ca 0.02 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 53.36 1sa1 s MET 373 Cb 0.08 -1.58 0.13 0.00 2.01 0.00 0.00 34.83 35.47 1sa1 s MET 373 CO 0.76 0.06 0.78 -1.54 -0.01 0.00 0.00 175.02 175.08 1sa1 s SER 374 N 0.58 -0.89 0.52 3.03 1.04 -0.41 -4.83 113.70 112.75 1sa1 s SER 374 Ca -0.15 1.28 0.04 0.00 0.48 0.00 0.00 55.95 57.60 1sa1 s SER 374 Cb -0.16 1.81 0.01 0.00 0.10 0.00 0.00 66.02 67.78 1sa1 s SER 374 CO 0.05 -0.19 0.24 0.00 0.98 0.00 0.00 173.24 174.32 1sa1 s ALA 375 N 2.31 4.26 0.16 5.32 0.00 -1.26 -0.32 121.76 132.22 1sa1 s ALA 375 Ca -0.07 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 1sa1 s ALA 375 Cb -0.08 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.68 1sa1 s ALA 375 CO -0.18 -0.27 0.80 -0.08 0.00 0.00 0.00 175.76 176.03 1sa1 s THR 376 N -2.80 0.00 -0.02 0.00 -1.32 0.09 -1.42 115.64 110.17 1sa1 s THR 376 Ca 0.24 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 1sa1 s THR 376 Cb -0.00 -1.58 0.02 0.00 -1.51 0.00 0.00 72.50 69.43 1sa1 s THR 376 CO 0.14 0.00 0.00 0.12 -2.21 0.00 0.00 174.62 172.68 1sa1 s PHE 377 N -3.53 0.19 -0.13 9.09 5.36 -0.44 -0.33 117.98 128.19 1sa1 s PHE 377 Ca 0.08 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 1sa1 s PHE 377 Cb -0.02 -0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.37 1sa1 s PHE 377 CO -0.02 -0.09 -0.20 0.42 -1.46 0.00 0.00 175.22 173.87 1sa1 s ILE 378 N 0.77 2.28 -0.30 3.12 1.01 0.33 -2.25 121.20 126.17 1sa1 s ILE 378 Ca -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1sa1 s ILE 378 Cb -0.10 -1.92 0.10 0.00 0.01 0.00 0.00 42.46 40.55 1sa1 s ILE 378 CO -0.02 0.54 0.12 -0.83 0.00 0.00 0.00 174.94 174.76 1sa1 s GLY 379 N 0.68 0.65 -0.69 6.18 0.00 -0.32 -1.06 107.32 112.77 1sa1 s GLY 379 Ca -0.09 -1.25 -0.26 0.00 0.00 0.00 0.00 44.72 43.11 1sa1 s GLY 379 CO 0.01 1.94 1.19 0.21 0.00 0.00 0.00 173.10 176.45 1sa1 s ASN 380 N 1.96 6.22 -0.05 1.64 3.04 -0.78 -1.06 114.94 125.91 1sa1 s ASN 380 Ca 0.09 -0.47 0.03 0.00 0.04 0.00 0.00 52.86 52.55 1sa1 s ASN 380 Cb -0.16 -2.52 0.01 0.00 -1.54 0.00 0.00 41.25 37.03 1sa1 s ASN 380 CO -0.34 -1.67 -0.12 -0.94 -3.04 0.00 0.00 177.10 170.99 1sa1 s SER 381 N 3.56 1.64 0.48 -4.21 1.04 -1.26 -0.06 113.70 114.88 1sa1 s SER 381 Ca 0.33 -0.27 0.23 0.00 0.48 0.00 0.00 55.95 56.72 1sa1 s SER 381 Cb -0.10 -0.64 1.25 0.00 0.10 0.00 0.00 66.02 66.63 1sa1 s SER 381 CO 0.16 0.05 1.66 0.71 0.98 0.00 0.00 173.24 176.80 1sa1 h THR 382 N 5.72 0.00 -0.89 2.02 1.35 -1.53 -0.59 112.91 119.00 1sa1 h THR 382 Ca -0.32 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 65.76 1sa1 h THR 382 Cb 1.18 0.51 -0.05 0.00 -1.73 0.00 0.00 68.15 68.05 1sa1 h THR 382 CO 0.48 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 176.36 1sa1 h ALA 383 N 1.43 2.48 -0.26 6.62 0.00 -1.76 -2.40 119.26 125.36 1sa1 h ALA 383 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1sa1 h ALA 383 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sa1 h ALA 383 CO 0.00 -0.76 0.19 0.97 0.00 0.00 0.00 179.25 179.65 1sa1 h ILE 384 N 0.22 0.85 -0.79 0.00 -0.00 -1.46 -2.33 117.51 114.00 1sa1 h ILE 384 Ca 0.45 0.00 0.19 0.00 -0.00 0.00 0.00 64.86 65.50 1sa1 h ILE 384 Cb 1.40 0.87 -0.13 0.00 -0.00 0.00 0.00 36.82 38.96 1sa1 h ILE 384 CO -0.11 0.00 0.16 -0.61 -0.00 0.00 0.00 178.15 177.60 1sa1 h GLN 385 N 0.00 0.21 -0.58 2.19 4.15 -1.66 -0.52 115.11 118.90 1sa1 h GLN 385 Ca 0.13 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.65 1sa1 h GLN 385 Cb 0.51 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.04 1sa1 h GLN 385 CO -0.00 0.14 -0.13 -1.91 -1.93 0.00 0.00 178.83 175.00 1sa1 n GLU 386 N -5.22 -0.05 -0.12 1.69 2.13 -0.88 -0.19 120.64 118.01 1sa1 n GLU 386 Ca 0.17 0.90 -0.13 0.00 0.66 0.00 0.00 57.16 58.76 1sa1 n GLU 386 Cb 0.54 -1.34 -0.02 0.00 0.27 0.00 0.00 31.44 30.88 1sa1 n GLU 386 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1sa1 h LEU 387 N 0.00 0.91 -0.01 4.31 6.46 -1.27 -2.97 115.31 122.73 1sa1 h LEU 387 Ca 0.28 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1sa1 h LEU 387 Cb 0.44 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1sa1 h LEU 387 CO -0.59 1.16 -0.00 -0.26 -0.62 0.00 0.00 178.44 178.13 1sa1 h PHE 388 N 0.66 0.02 -0.99 1.25 -1.00 -0.61 -2.93 116.94 113.34 1sa1 h PHE 388 Ca 0.07 -0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.11 1sa1 h PHE 388 Cb 0.88 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.37 1sa1 h PHE 388 CO 0.06 0.35 0.68 -0.22 -1.61 0.00 0.00 178.31 177.58 1sa1 h LYS 389 N -0.31 0.20 -0.04 1.51 3.64 -1.21 -0.74 116.57 119.62 1sa1 h LYS 389 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1sa1 h LYS 389 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1sa1 h LYS 389 CO 0.00 0.13 -0.11 0.07 -2.27 0.00 0.00 179.45 177.27 1sa1 h ARG 390 N 0.20 0.14 -0.25 1.90 0.11 -1.35 0.82 114.38 115.96 1sa1 h ARG 390 Ca 0.51 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.49 1sa1 h ARG 390 Cb 1.63 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.72 1sa1 h ARG 390 CO -0.13 0.72 0.16 -0.84 0.10 0.00 0.00 179.97 179.99 1sa1 h ILE 391 N -0.41 1.08 -0.33 0.08 -0.00 -1.04 -1.52 117.51 115.37 1sa1 h ILE 391 Ca -0.00 -0.17 0.07 0.00 -0.00 0.00 0.00 64.86 64.76 1sa1 h ILE 391 Cb 0.73 0.75 -0.08 0.00 -0.00 0.00 0.00 36.82 38.22 1sa1 h ILE 391 CO 0.02 0.08 -0.22 -1.28 -0.00 0.00 0.00 178.15 176.75 1sa1 h SER 392 N 0.32 -0.72 -0.81 2.16 0.87 -1.24 0.18 113.55 114.32 1sa1 h SER 392 Ca 0.09 0.15 0.19 0.00 -1.23 0.00 0.00 61.79 60.99 1sa1 h SER 392 Cb -0.01 0.36 -0.13 0.00 -0.44 0.00 0.00 62.40 62.19 1sa1 h SER 392 CO -0.02 -0.25 0.20 -0.08 -0.53 0.00 0.00 176.83 176.15 1sa1 h GLU 393 N -0.18 0.24 -0.06 2.24 4.81 0.12 1.83 114.58 123.57 1sa1 h GLU 393 Ca 0.17 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1sa1 h GLU 393 Cb 0.44 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1sa1 h GLU 393 CO -0.43 0.16 -0.14 1.96 -0.73 0.00 0.00 179.01 179.82 1sa1 h GLN 394 N 0.24 0.20 0.39 1.92 4.20 -0.51 -3.03 115.11 118.53 1sa1 h GLN 394 Ca 0.48 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 1sa1 h GLN 394 Cb 0.88 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1sa1 h GLN 394 CO -0.58 0.73 -0.32 0.35 -0.67 0.00 0.00 178.83 178.34 1sa1 h PHE 395 N -0.30 -0.89 -1.51 2.96 3.57 0.43 -0.94 116.94 120.27 1sa1 h PHE 395 Ca -0.00 0.00 0.46 0.00 3.53 0.00 0.00 57.97 61.96 1sa1 h PHE 395 Cb 0.73 0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.72 1sa1 h PHE 395 CO 0.12 -0.45 1.04 1.15 -2.23 0.00 0.00 178.31 177.94 1sa1 h THR 396 N -0.69 0.15 0.00 4.41 2.02 0.27 0.87 112.91 119.93 1sa1 h THR 396 Ca -0.05 -0.02 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 1sa1 h THR 396 Cb 0.58 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1sa1 h THR 396 CO -0.00 0.01 -1.17 0.00 0.37 0.00 0.00 175.52 174.73 1sa1 h ALA 397 N 1.36 0.65 0.00 6.16 0.00 -1.39 -3.24 119.26 122.79 1sa1 h ALA 397 Ca 0.80 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sa1 h ALA 397 Cb 2.88 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.85 1sa1 h ALA 397 CO -0.20 0.84 -0.04 0.52 0.00 0.00 0.00 179.25 180.37 1sa1 h MET 398 N 0.00 0.00 0.00 0.00 2.07 0.21 -3.36 114.93 113.85 1sa1 h MET 398 Ca -0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1sa1 h MET 398 Cb 1.53 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.26 1sa1 h MET 398 CO 0.05 0.00 0.30 0.34 1.07 0.00 0.00 176.91 178.67 1sa1 n PHE 399 N -2.70 0.39 0.00 -0.22 7.35 -0.06 -2.37 117.46 119.85 1sa1 n PHE 399 Ca -0.01 0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1sa1 n PHE 399 Cb 0.02 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.23 1sa1 n PHE 399 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1sa1 n ARG 400 N -1.97 0.00 -0.85 -4.13 0.63 -1.22 -1.77 116.66 107.34 1sa1 n ARG 400 Ca -0.01 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1sa1 n ARG 400 Cb 0.31 -0.40 -0.08 0.00 0.45 0.00 0.00 32.46 32.74 1sa1 n ARG 400 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1sa1 n ARG 401 N 0.00 2.04 -2.09 -0.14 0.00 -1.20 -4.78 116.66 110.50 1sa1 n ARG 401 Ca 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 57.85 56.67 1sa1 n ARG 401 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.28 1sa1 n ARG 401 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1sa1 n LYS 402 N 3.18 -0.32 0.00 -0.14 2.85 -0.73 -4.89 118.16 118.11 1sa1 n LYS 402 Ca 0.44 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1sa1 n LYS 402 Cb 0.47 0.29 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 1sa1 n LYS 402 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sa1 n ALA 403 N -0.47 0.00 0.00 0.58 0.00 -1.00 -4.19 120.51 115.42 1sa1 n ALA 403 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sa1 n ALA 403 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sa1 n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sa1 n PHE 404 N 0.00 0.00 -0.20 0.00 0.99 -1.26 -3.87 117.46 113.12 1sa1 n PHE 404 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1sa1 n PHE 404 Cb 0.00 -0.05 0.08 0.00 -1.00 0.00 0.00 39.48 38.52 1sa1 n PHE 404 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1sa1 h LEU 405 N 0.00 -0.38 0.00 4.37 5.85 -1.96 -1.61 115.31 121.57 1sa1 h LEU 405 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1sa1 h LEU 405 Cb 0.33 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1sa1 h LEU 405 CO 0.00 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 1sa1 n HIS 406 N -5.33 0.00 0.54 1.25 1.44 -1.25 0.75 115.22 112.61 1sa1 n HIS 406 Ca 0.08 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.91 1sa1 n HIS 406 Cb 0.34 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.50 1sa1 n HIS 406 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1sa1 n TRP 407 N -0.43 0.36 -0.06 -1.40 7.02 -0.61 -3.57 117.44 118.75 1sa1 n TRP 407 Ca 0.00 0.10 -0.08 0.00 -1.02 0.00 0.00 57.50 56.51 1sa1 n TRP 407 Cb 0.00 -0.51 -0.06 0.00 -2.42 0.00 0.00 31.31 28.32 1sa1 n TRP 407 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sa1 n TYR 408 N -2.03 0.00 -0.29 -5.99 4.02 0.23 -4.27 117.16 108.83 1sa1 n TYR 408 Ca 0.02 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.10 1sa1 n TYR 408 Cb 0.44 -0.46 0.36 0.00 -0.02 0.00 0.00 39.34 39.67 1sa1 n TYR 408 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sa1 n THR 409 N -2.79 -0.36 -0.11 -0.72 -1.04 -1.14 0.00 114.28 108.13 1sa1 n THR 409 Ca -0.20 1.84 -0.11 0.00 -2.04 0.00 0.00 64.05 63.53 1sa1 n THR 409 Cb 0.73 -2.81 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 1sa1 n THR 409 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1sa1 h GLY 410 N 0.00 0.64 1.58 3.41 0.00 -1.78 -2.37 103.07 104.55 1sa1 h GLY 410 Ca 0.61 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1sa1 h GLY 410 CO -0.75 0.47 0.00 1.18 0.00 0.00 0.00 176.54 177.45 1sa1 n GLU 411 N -4.48 0.26 0.00 4.80 -0.58 0.10 -4.82 120.64 115.92 1sa1 n GLU 411 Ca -0.03 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sa1 n GLU 411 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1sa1 n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sa1 n GLY 412 N 0.32 0.91 3.84 0.62 0.00 -0.37 -4.84 105.19 105.66 1sa1 n GLY 412 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1sa1 n GLY 412 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sa1 s MET 413 N 0.18 2.31 -0.01 1.61 -1.94 -1.15 -5.02 119.30 115.27 1sa1 s MET 413 Ca 0.00 -1.87 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 1sa1 s MET 413 Cb 0.00 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 1sa1 s MET 413 CO 0.00 -0.35 0.04 0.34 -0.01 0.00 0.00 175.02 175.04 1sa1 s ASP 414 N -4.11 5.43 0.06 3.03 -1.08 -1.26 -4.62 116.67 114.13 1sa1 s ASP 414 Ca 0.38 0.09 -0.26 0.00 -0.52 0.00 0.00 52.55 52.23 1sa1 s ASP 414 Cb -0.00 -1.50 -0.12 0.00 -1.46 0.00 0.00 42.92 39.83 1sa1 s ASP 414 CO 0.22 0.28 1.41 -0.08 0.52 0.00 0.00 175.17 177.52 1sa1 h GLU 415 N 4.26 -0.69 -0.83 4.34 4.81 -2.00 -1.94 114.58 122.54 1sa1 h GLU 415 Ca -0.49 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.03 1sa1 h GLU 415 Cb 1.18 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1sa1 h GLU 415 CO 0.60 -0.46 0.99 0.00 -0.73 0.00 0.00 179.01 179.41 1sa1 h MET 416 N -0.71 0.00 0.00 1.92 -0.00 -2.00 0.43 114.93 114.56 1sa1 h MET 416 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.56 1sa1 h MET 416 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.22 1sa1 h MET 416 CO -0.07 0.00 -0.48 1.49 -0.00 0.00 0.00 176.91 177.85 1sa1 h GLU 417 N 0.00 0.00 0.22 -0.10 4.81 -1.76 -0.98 114.58 116.78 1sa1 h GLU 417 Ca 0.39 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1sa1 h GLU 417 Cb 2.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.75 1sa1 h GLU 417 CO -0.00 0.48 -0.11 0.74 -0.73 0.00 0.00 179.01 179.39 1sa1 h PHE 418 N 0.00 -0.28 -0.83 0.92 -1.00 -0.94 -2.70 116.94 112.12 1sa1 h PHE 418 Ca -0.00 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.91 1sa1 h PHE 418 Cb 0.85 0.09 -0.09 0.00 3.61 0.00 0.00 35.95 40.41 1sa1 h PHE 418 CO 0.00 0.11 0.41 1.15 -1.61 0.00 0.00 178.31 178.37 1sa1 h THR 419 N -0.84 0.71 0.00 -1.55 2.02 -1.58 0.63 112.91 112.32 1sa1 h THR 419 Ca -0.03 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1sa1 h THR 419 Cb 0.51 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1sa1 h THR 419 CO 0.05 0.11 -0.06 -0.08 0.37 0.00 0.00 175.52 175.91 1sa1 h GLU 420 N 0.58 0.00 0.07 6.66 4.81 -1.22 0.31 114.58 125.79 1sa1 h GLU 420 Ca 0.45 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.34 1sa1 h GLU 420 Cb 0.65 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1sa1 h GLU 420 CO -0.37 0.06 -1.98 0.00 -0.73 0.00 0.00 179.01 175.99 1sa1 n ALA 421 N -2.15 1.16 0.23 2.92 0.00 -0.32 -3.69 120.51 118.66 1sa1 n ALA 421 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 53.44 52.55 1sa1 n ALA 421 Cb 0.28 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1sa1 n ALA 421 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sa1 h GLU 422 N 0.04 -0.55 -0.29 0.00 4.81 0.87 -2.29 114.58 117.17 1sa1 h GLU 422 Ca -0.40 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1sa1 h GLU 422 Cb 2.03 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.53 1sa1 h GLU 422 CO 0.07 -0.37 0.00 0.43 -0.73 0.00 0.00 179.01 178.41 1sa1 n SER 423 N -5.36 0.57 -0.08 1.04 7.64 0.10 -0.89 113.62 116.65 1sa1 n SER 423 Ca -0.10 -2.02 -0.09 0.00 1.01 0.00 0.00 58.87 57.66 1sa1 n SER 423 Cb 0.26 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1sa1 n SER 423 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1sa1 h ASN 424 N 0.32 0.00 -0.12 6.43 -0.73 -1.50 -3.29 115.58 116.70 1sa1 h ASN 424 Ca 0.00 -0.24 0.01 0.00 1.87 0.00 0.00 56.30 57.94 1sa1 h ASN 424 Cb 0.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1sa1 h ASN 424 CO 0.01 0.94 -0.07 0.23 -0.37 0.00 0.00 177.43 178.17 1sa1 n MET 425 N -4.59 -0.05 0.00 6.67 2.81 -1.01 -1.41 117.12 119.54 1sa1 n MET 425 Ca -0.13 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 1sa1 n MET 425 Cb 0.35 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1sa1 n MET 425 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sa1 n ASN 426 N -3.17 0.00 -0.07 7.83 4.13 -0.07 0.77 115.26 124.68 1sa1 n ASN 426 Ca 0.00 0.33 -0.06 0.00 1.68 0.00 0.00 54.58 56.53 1sa1 n ASN 426 Cb 0.03 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 37.90 1sa1 n ASN 426 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1sa1 h ASP 427 N 0.00 0.00 -0.98 6.41 3.45 -1.38 -3.33 116.42 120.59 1sa1 h ASP 427 Ca 0.00 -0.16 0.10 0.00 0.43 0.00 0.00 57.03 57.40 1sa1 h ASP 427 Cb 0.13 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.77 1sa1 h ASP 427 CO 0.00 0.80 -0.54 -0.11 -1.57 0.00 0.00 179.24 177.82 1sa1 n LEU 428 N -4.64 -0.96 -0.31 1.55 7.94 0.23 0.14 117.00 120.95 1sa1 n LEU 428 Ca -0.09 1.74 -0.08 0.00 -1.11 0.00 0.00 56.01 56.47 1sa1 n LEU 428 Cb 0.26 -0.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.87 1sa1 n LEU 428 CO 0.10 -1.45 0.44 0.52 -1.11 0.00 0.00 177.39 175.90 1sa1 n VAL 429 N -5.27 -0.50 0.92 1.96 0.31 -0.86 -0.91 118.33 113.99 1sa1 n VAL 429 Ca 0.04 2.04 0.00 0.00 -0.01 0.00 0.00 64.34 66.41 1sa1 n VAL 429 Cb 0.28 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.66 1sa1 n VAL 429 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1sa1 n SER 430 N -4.70 0.20 -0.05 4.52 7.64 0.36 -1.42 113.62 120.19 1sa1 n SER 430 Ca 0.01 -1.12 -0.08 0.00 1.01 0.00 0.00 58.87 58.70 1sa1 n SER 430 Cb 0.19 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 1sa1 n SER 430 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sa1 n GLU 431 N -0.24 0.22 -0.08 1.43 1.02 -0.09 -4.13 120.64 118.77 1sa1 n GLU 431 Ca 0.00 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 1sa1 n GLU 431 Cb 0.05 -1.06 -0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1sa1 n GLU 431 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1sa1 h TYR 432 N -0.12 -0.06 0.00 -0.32 -1.99 -0.68 -1.29 116.97 112.52 1sa1 h TYR 432 Ca -0.22 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.53 1sa1 h TYR 432 Cb 1.28 0.07 -0.00 0.00 2.00 0.00 0.00 36.73 40.08 1sa1 h TYR 432 CO -0.00 -0.07 -0.01 0.37 -0.00 0.00 0.00 178.16 178.44 1sa1 h GLN 433 N 0.06 0.00 0.00 4.88 5.75 -1.49 -1.31 115.11 123.00 1sa1 h GLN 433 Ca 0.14 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 1sa1 h GLN 433 Cb 0.20 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1sa1 h GLN 433 CO -0.26 0.01 -0.51 0.37 -2.65 0.00 0.00 178.83 175.80 1sa1 h GLN 434 N 0.00 0.00 -0.62 1.69 4.15 -1.43 -3.24 115.11 115.67 1sa1 h GLN 434 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sa1 h GLN 434 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1sa1 h GLN 434 CO 0.00 0.51 0.00 0.66 -1.93 0.00 0.00 178.83 178.07 1sa1 n TYR 435 N -3.27 1.10 -1.98 3.99 4.02 -0.50 -4.05 117.16 116.49 1sa1 n TYR 435 Ca 0.02 -0.45 -0.40 0.00 -0.01 0.00 0.00 57.90 57.05 1sa1 n TYR 435 Cb 0.72 -0.17 -0.01 0.00 -0.02 0.00 0.00 39.34 39.86 1sa1 n TYR 435 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1sa1 n GLN 436 N 0.89 4.30 0.00 -0.72 6.02 -1.21 -5.05 117.38 121.62 1sa1 n GLN 436 Ca 0.20 -3.33 0.02 0.00 -0.01 0.00 0.00 57.00 53.88 1sa1 n GLN 436 Cb 0.68 -2.71 0.01 0.00 1.02 0.00 0.00 30.24 29.24 1sa1 n GLN 436 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80