#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg0 n GLY 2 N 0.00 -2.40 3.05 0.00 0.00 -1.26 -4.96 105.19 99.62 1sg0 n GLY 2 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 1sg0 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg0 s LYS 3 N -2.86 0.64 -0.11 1.61 -0.14 -1.26 -5.07 119.74 112.54 1sg0 s LYS 3 Ca 0.00 -0.57 -0.00 0.00 -1.36 0.00 0.00 55.97 54.04 1sg0 s LYS 3 Cb 0.00 -0.55 -0.02 0.00 -1.68 0.00 0.00 37.83 35.58 1sg0 s LYS 3 CO 0.00 0.13 -0.10 0.15 -0.76 0.00 0.00 175.35 174.77 1sg0 s LYS 4 N -0.94 3.20 -0.04 1.68 1.02 -1.26 -1.00 119.74 122.41 1sg0 s LYS 4 Ca -0.02 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.38 1sg0 s LYS 4 Cb -0.07 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1sg0 s LYS 4 CO 0.00 0.36 -0.15 0.08 -0.92 0.00 0.00 175.35 174.72 1sg0 s VAL 5 N -0.01 1.28 -0.13 3.17 1.01 0.67 0.04 120.40 126.43 1sg0 s VAL 5 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1sg0 s VAL 5 Cb -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1sg0 s VAL 5 CO 0.04 0.37 -0.16 -0.22 0.00 0.00 0.00 175.10 175.13 1sg0 s LEU 6 N 0.06 2.51 -0.24 3.92 2.96 -0.28 -1.28 118.68 126.33 1sg0 s LEU 6 Ca -0.03 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1sg0 s LEU 6 Cb -0.11 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1sg0 s LEU 6 CO 0.02 0.14 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.54 1sg0 s ILE 7 N 0.48 3.39 -0.41 6.68 1.01 0.49 -0.87 121.20 131.97 1sg0 s ILE 7 Ca -0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 1sg0 s ILE 7 Cb -0.16 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.69 1sg0 s ILE 7 CO 0.05 0.29 0.38 -0.69 0.00 0.00 0.00 174.94 174.96 1sg0 s VAL 8 N 1.45 5.16 -0.15 2.92 1.01 0.31 -0.53 120.40 130.57 1sg0 s VAL 8 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1sg0 s VAL 8 Cb -0.16 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1sg0 s VAL 8 CO -0.02 -0.34 -0.04 -0.47 0.00 0.00 0.00 175.10 174.23 1sg0 s TYR 9 N 1.95 3.01 -0.58 5.22 5.04 -0.29 -0.97 117.35 130.74 1sg0 s TYR 9 Ca 0.09 -0.33 0.05 0.00 -2.44 0.00 0.00 57.07 54.44 1sg0 s TYR 9 Cb -0.18 -1.95 0.20 0.00 0.35 0.00 0.00 41.96 40.38 1sg0 s TYR 9 CO 0.12 -0.06 0.53 0.00 -1.34 0.00 0.00 175.55 174.80 1sg0 n ALA 10 N 3.55 3.30 -3.18 3.97 0.00 -0.32 -1.86 120.51 125.97 1sg0 n ALA 10 Ca -0.17 -4.09 -0.13 0.00 0.00 0.00 0.00 53.44 49.05 1sg0 n ALA 10 Cb 0.52 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 1sg0 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sg0 s HIS 11 N -1.32 -0.29 -0.18 0.00 5.04 -1.26 -4.33 115.29 112.94 1sg0 s HIS 11 Ca 0.32 0.70 0.20 0.00 -1.54 0.00 0.00 55.06 54.74 1sg0 s HIS 11 Cb 0.06 0.10 0.37 0.00 0.04 0.00 0.00 32.58 33.15 1sg0 s HIS 11 CO -0.13 -0.18 1.59 1.96 -2.34 0.00 0.00 174.74 175.64 1sg0 h GLN 12 N 5.45 0.00 -4.90 2.88 7.50 -1.99 -3.44 115.11 120.60 1sg0 h GLN 12 Ca -0.27 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.22 1sg0 h GLN 12 Cb 1.19 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 28.43 1sg0 h GLN 12 CO 0.33 0.27 -0.70 -2.00 -1.50 0.00 0.00 178.83 175.23 1sg0 s GLU 13 N -3.20 3.09 0.48 1.46 2.56 -1.26 -5.00 118.70 116.83 1sg0 s GLU 13 Ca 0.04 -0.83 0.16 0.00 0.00 0.00 0.00 54.97 54.34 1sg0 s GLU 13 Cb 0.07 -3.11 1.16 0.00 2.00 0.00 0.00 34.13 34.26 1sg0 s GLU 13 CO 0.69 -0.35 2.06 -1.35 -0.56 0.00 0.00 175.26 175.75 1sg0 h PRO 14 N 8.11 0.20 -0.02 4.30 0.11 -1.98 -1.60 132.00 141.12 1sg0 h PRO 14 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1sg0 h PRO 14 Cb 1.13 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sg0 h PRO 14 CO 0.59 0.13 0.00 1.63 -0.21 0.00 0.00 178.00 180.14 1sg0 n LYS 15 N -4.48 1.24 -1.25 1.05 5.02 -1.26 -4.30 118.16 114.18 1sg0 n LYS 15 Ca 0.04 -0.35 -0.29 0.00 -2.02 0.00 0.00 58.31 55.70 1sg0 n LYS 15 Cb 0.27 -1.45 0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1sg0 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sg0 s SER 16 N -1.90 2.95 0.23 4.39 1.04 -0.60 -4.81 113.70 115.00 1sg0 s SER 16 Ca 0.41 1.20 -0.07 0.00 0.48 0.00 0.00 55.95 57.97 1sg0 s SER 16 Cb 0.20 -1.86 0.20 0.00 0.10 0.00 0.00 66.02 64.67 1sg0 s SER 16 CO 0.33 -2.93 1.82 0.15 0.98 0.00 0.00 173.24 173.59 1sg0 h PHE 17 N -1.75 1.21 -0.63 5.02 3.57 -1.91 -0.27 116.94 122.18 1sg0 h PHE 17 Ca -0.53 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 60.89 1sg0 h PHE 17 Cb 1.32 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1sg0 h PHE 17 CO 0.32 0.88 0.30 -0.91 -2.23 0.00 0.00 178.31 176.67 1sg0 h ASN 18 N 1.19 0.83 -0.81 0.41 2.35 -1.92 -0.53 115.58 117.10 1sg0 h ASN 18 Ca 0.29 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1sg0 h ASN 18 Cb 0.13 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1sg0 h ASN 18 CO -0.03 0.73 0.53 1.23 -1.65 0.00 0.00 177.43 178.23 1sg0 h GLY 19 N 0.87 1.17 1.06 2.83 0.00 -1.53 -0.07 103.07 107.40 1sg0 h GLY 19 Ca 0.22 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1sg0 h GLY 19 CO -0.03 0.37 0.09 1.76 0.00 0.00 0.00 176.54 178.73 1sg0 h SER 20 N 1.05 1.02 -0.39 0.19 0.02 -0.53 0.10 113.55 115.00 1sg0 h SER 20 Ca 0.32 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1sg0 h SER 20 Cb -0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 1sg0 h SER 20 CO -0.10 1.03 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.53 1sg0 h LEU 21 N 0.97 0.77 -0.25 5.07 3.38 -0.57 0.09 115.31 124.77 1sg0 h LEU 21 Ca 0.19 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1sg0 h LEU 21 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1sg0 h LEU 21 CO 0.02 0.85 -0.04 0.50 0.09 0.00 0.00 178.44 179.85 1sg0 h LYS 22 N 0.74 0.46 -0.72 1.13 3.11 -0.71 -2.25 116.57 118.33 1sg0 h LYS 22 Ca 0.14 -0.17 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1sg0 h LYS 22 Cb 0.48 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 1sg0 h LYS 22 CO 0.02 0.67 0.27 -0.91 -2.81 0.00 0.00 179.45 176.70 1sg0 h ASN 23 N 0.22 0.99 -0.64 4.20 2.35 -0.69 -1.09 115.58 120.91 1sg0 h ASN 23 Ca 0.07 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1sg0 h ASN 23 Cb 0.48 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1sg0 h ASN 23 CO 0.02 0.89 0.15 0.58 -1.65 0.00 0.00 177.43 177.43 1sg0 h VAL 24 N 1.05 1.26 -0.33 2.81 2.07 -0.93 0.04 116.25 122.22 1sg0 h VAL 24 Ca 0.24 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1sg0 h VAL 24 Cb 0.22 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1sg0 h VAL 24 CO -0.02 0.36 0.09 0.00 0.02 0.00 0.00 177.57 178.02 1sg0 h ALA 25 N 1.16 0.43 -0.33 1.67 0.00 -0.91 -0.25 119.26 121.03 1sg0 h ALA 25 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sg0 h ALA 25 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1sg0 h ALA 25 CO 0.00 0.09 0.19 0.28 0.00 0.00 0.00 179.25 179.81 1sg0 h VAL 26 N 0.37 1.12 0.17 0.00 2.07 -0.94 -0.92 116.25 118.12 1sg0 h VAL 26 Ca 0.10 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1sg0 h VAL 26 Cb 0.28 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1sg0 h VAL 26 CO -0.00 0.12 -0.11 0.44 0.02 0.00 0.00 177.57 178.05 1sg0 h ASP 27 N 0.42 -0.26 -0.26 0.57 3.32 -0.77 0.12 116.42 119.56 1sg0 h ASP 27 Ca 0.12 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1sg0 h ASP 27 Cb 0.03 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1sg0 h ASP 27 CO -0.02 -0.17 0.01 -0.08 -1.72 0.00 0.00 179.24 177.25 1sg0 h GLU 28 N -0.27 0.45 -0.37 3.56 4.57 -0.99 -0.31 114.58 121.22 1sg0 h GLU 28 Ca -0.01 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1sg0 h GLU 28 Cb 0.23 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1sg0 h GLU 28 CO 0.01 0.61 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.22 1sg0 h LEU 29 N 0.23 0.68 -0.45 1.64 3.38 -1.17 -1.86 115.31 117.76 1sg0 h LEU 29 Ca 0.07 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1sg0 h LEU 29 Cb 0.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sg0 h LEU 29 CO 0.01 0.85 -0.04 -1.28 0.09 0.00 0.00 178.44 178.08 1sg0 h SER 30 N 0.61 0.82 -0.45 -0.43 0.87 -0.86 -1.56 113.55 112.55 1sg0 h SER 30 Ca 0.10 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1sg0 h SER 30 Cb 0.63 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1sg0 h SER 30 CO 0.04 0.95 0.29 -0.09 -0.53 0.00 0.00 176.83 177.49 1sg0 h ARG 31 N 0.67 0.60 0.00 2.24 2.43 -0.75 -0.96 114.38 118.61 1sg0 h ARG 31 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1sg0 h ARG 31 Cb 0.56 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1sg0 h ARG 31 CO 0.03 0.41 0.00 1.04 -1.51 0.00 0.00 179.97 179.94 1sg0 n GLN 32 N -4.46 0.15 -0.12 0.20 6.02 -0.72 -4.88 117.38 113.57 1sg0 n GLN 32 Ca 0.04 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1sg0 n GLN 32 Cb 0.06 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1sg0 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sg0 n GLY 33 N 0.42 0.80 3.79 1.08 0.00 -0.36 -5.07 105.19 105.84 1sg0 n GLY 33 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1sg0 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg0 s THR 35 N -2.43 4.98 -0.07 0.00 2.01 -0.17 -4.52 115.64 115.45 1sg0 s THR 35 Ca 0.65 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.94 1sg0 s THR 35 Cb -0.17 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 1sg0 s THR 35 CO 0.39 0.06 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.48 1sg0 s VAL 36 N 2.19 1.80 -0.00 3.82 1.01 -1.26 -0.24 120.40 127.72 1sg0 s VAL 36 Ca 0.29 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1sg0 s VAL 36 Cb -0.16 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1sg0 s VAL 36 CO 0.10 0.51 -0.13 -0.89 0.00 0.00 0.00 175.10 174.68 1sg0 s THR 37 N 0.14 1.06 -0.08 3.92 2.01 -0.40 -5.00 115.64 117.28 1sg0 s THR 37 Ca -0.10 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1sg0 s THR 37 Cb -0.15 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1sg0 s THR 37 CO 0.05 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.37 1sg0 s VAL 38 N -0.39 1.53 -0.48 3.82 1.01 -1.26 -0.38 120.40 124.26 1sg0 s VAL 38 Ca 0.05 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1sg0 s VAL 38 Cb -0.05 -1.36 0.12 0.00 0.00 0.00 0.00 36.38 35.09 1sg0 s VAL 38 CO -0.00 0.44 0.35 -0.44 0.00 0.00 0.00 175.10 175.45 1sg0 s SER 39 N 0.54 5.70 -0.99 3.32 0.01 0.31 -4.96 113.70 117.64 1sg0 s SER 39 Ca -0.16 -1.94 -0.19 0.00 1.31 0.00 0.00 55.95 54.96 1sg0 s SER 39 Cb -0.17 -2.01 0.11 0.00 0.21 0.00 0.00 66.02 64.17 1sg0 s SER 39 CO 0.06 -0.69 1.25 -0.62 0.41 0.00 0.00 173.24 173.65 1sg0 s ASP 40 N 2.63 6.64 0.21 2.44 -1.08 -1.26 -1.14 116.67 125.11 1sg0 s ASP 40 Ca 0.06 -1.99 -0.10 0.00 -0.52 0.00 0.00 52.55 50.00 1sg0 s ASP 40 Cb -0.26 -2.45 0.30 0.00 -1.46 0.00 0.00 42.92 39.05 1sg0 s ASP 40 CO -0.01 -1.15 1.69 -0.07 0.52 0.00 0.00 175.17 176.15 1sg0 h LEU 41 N 11.00 -0.08 -0.55 -1.34 3.38 -1.75 -1.09 115.31 124.88 1sg0 h LEU 41 Ca 0.19 0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 1sg0 h LEU 41 Cb 1.00 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1sg0 h LEU 41 CO 1.21 -0.03 -0.09 1.88 0.09 0.00 0.00 178.44 181.50 1sg0 h TYR 42 N 0.21 1.15 0.00 1.13 0.05 -1.85 -1.45 116.97 116.21 1sg0 h TYR 42 Ca 0.32 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 1sg0 h TYR 42 Cb 0.49 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1sg0 h TYR 42 CO -0.28 1.05 -0.22 0.00 -1.05 0.00 0.00 178.16 177.66 1sg0 h ALA 43 N 0.93 1.48 -0.00 3.88 0.00 -1.75 -1.39 119.26 122.41 1sg0 h ALA 43 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sg0 h ALA 43 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1sg0 h ALA 43 CO 0.05 0.28 -0.21 -1.33 0.00 0.00 0.00 179.25 178.03 1sg0 n MET 44 N -4.05 0.19 -3.71 0.00 2.81 -0.47 -4.91 117.12 106.97 1sg0 n MET 44 Ca -0.02 -0.07 -0.27 0.00 -1.81 0.00 0.00 57.70 55.53 1sg0 n MET 44 Cb 0.29 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 1sg0 n MET 44 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sg0 n ASN 45 N -1.35 -5.31 -4.64 7.83 3.02 -0.52 -4.82 115.26 109.47 1sg0 n ASN 45 Ca 0.08 -0.64 -0.49 0.00 -0.03 0.00 0.00 54.58 53.50 1sg0 n ASN 45 Cb 0.32 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 35.22 1sg0 n ASN 45 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1sg0 n PHE 46 N -4.71 2.01 -2.30 3.10 7.35 -0.63 -4.90 117.46 117.38 1sg0 n PHE 46 Ca 0.02 0.39 -0.43 0.00 -0.76 0.00 0.00 57.45 56.67 1sg0 n PHE 46 Cb 0.54 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 37.87 1sg0 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1sg0 s GLU 47 N 1.03 4.19 0.12 -4.13 2.56 -1.26 -4.92 118.70 116.28 1sg0 s GLU 47 Ca 0.82 1.79 0.20 0.00 0.00 0.00 0.00 54.97 57.78 1sg0 s GLU 47 Cb -0.79 -3.84 -0.08 0.00 2.00 0.00 0.00 34.13 31.42 1sg0 s GLU 47 CO 0.43 -0.78 0.89 -2.30 -0.56 0.00 0.00 175.26 172.93 1sg0 n PRO 48 N 6.82 0.62 -2.39 4.30 -0.02 -1.26 -4.68 135.00 138.39 1sg0 n PRO 48 Ca 0.15 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1sg0 n PRO 48 Cb 0.44 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1sg0 n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sg0 s ARG 49 N -3.17 4.46 -0.62 -0.52 0.52 -1.26 -4.34 118.95 114.02 1sg0 s ARG 49 Ca -0.02 1.83 -0.23 0.00 -0.52 0.00 0.00 55.73 56.79 1sg0 s ARG 49 Cb 0.09 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.33 1sg0 s ARG 49 CO 0.81 -0.17 0.96 0.00 0.02 0.00 0.00 175.30 176.91 1sg0 s ALA 50 N 0.49 3.12 0.35 2.13 0.00 -1.26 -4.98 121.76 121.61 1sg0 s ALA 50 Ca 0.56 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1sg0 s ALA 50 Cb -0.31 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 1sg0 s ALA 50 CO 0.33 -2.65 0.16 0.95 0.00 0.00 0.00 175.76 174.55 1sg0 s THR 51 N 4.04 0.45 -1.16 0.00 -4.23 -1.26 -5.02 115.64 108.46 1sg0 s THR 51 Ca 0.25 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1sg0 s THR 51 Cb -0.15 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.36 1sg0 s THR 51 CO 0.13 0.00 1.33 -0.90 -0.54 0.00 0.00 174.62 174.64 1sg0 n ASP 52 N -1.15 0.00 0.00 3.99 5.68 -1.26 -1.63 116.55 122.19 1sg0 n ASP 52 Ca -0.01 0.35 0.14 0.00 -0.50 0.00 0.00 54.79 54.77 1sg0 n ASP 52 Cb 0.65 -0.42 0.71 0.00 -1.14 0.00 0.00 41.12 40.92 1sg0 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sg0 n LYS 53 N -1.42 0.43 0.00 0.11 5.02 -1.26 -2.71 118.16 118.33 1sg0 n LYS 53 Ca 0.04 0.02 0.15 0.00 -2.02 0.00 0.00 58.31 56.50 1sg0 n LYS 53 Cb 0.12 -1.50 0.77 0.00 -0.02 0.00 0.00 35.03 34.39 1sg0 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sg0 n ASP 54 N -1.27 0.15 -4.20 4.39 8.00 -0.64 -4.66 116.55 118.32 1sg0 n ASP 54 Ca 0.14 -0.49 -0.33 0.00 0.71 0.00 0.00 54.79 54.82 1sg0 n ASP 54 Cb 0.21 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 40.99 1sg0 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sg0 s ILE 55 N -2.39 2.22 0.21 0.53 1.09 -1.10 -1.46 121.20 120.30 1sg0 s ILE 55 Ca 0.34 -0.93 -0.07 0.00 -1.10 0.00 0.00 60.65 58.88 1sg0 s ILE 55 Cb 0.21 -1.89 -0.06 0.00 -1.06 0.00 0.00 42.46 39.65 1sg0 s ILE 55 CO 0.44 0.54 0.50 -0.89 -0.10 0.00 0.00 174.94 175.43 1sg0 s THR 56 N 0.73 5.02 0.00 2.92 2.01 0.14 -4.87 115.64 121.60 1sg0 s THR 56 Ca -0.09 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1sg0 s THR 56 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1sg0 s THR 56 CO 0.00 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 1sg0 n GLY 57 N -0.24 1.03 3.24 4.40 0.00 -1.26 -4.85 105.19 107.51 1sg0 n GLY 57 Ca -0.01 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1sg0 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sg0 s THR 58 N 0.00 1.75 0.64 2.61 -4.23 -1.26 -5.13 115.64 110.02 1sg0 s THR 58 Ca 0.00 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.41 1sg0 s THR 58 Cb 0.00 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 1sg0 s THR 58 CO 0.00 0.49 1.11 -0.76 -0.54 0.00 0.00 174.62 174.93 1sg0 s LEU 59 N -0.49 3.44 0.49 4.79 1.43 -1.26 -4.94 118.68 122.14 1sg0 s LEU 59 Ca 0.08 2.03 0.29 0.00 -1.03 0.00 0.00 54.13 55.49 1sg0 s LEU 59 Cb -0.09 -4.56 0.89 0.00 0.03 0.00 0.00 46.19 42.46 1sg0 s LEU 59 CO -0.01 -1.58 1.81 0.77 0.23 0.00 0.00 176.35 177.57 1sg0 h SER 60 N 0.19 0.00 -1.52 2.29 4.64 -1.97 -3.38 113.55 113.80 1sg0 h SER 60 Ca -0.47 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.54 1sg0 h SER 60 Cb 1.25 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.09 1sg0 h SER 60 CO 0.54 0.00 -0.67 0.21 -0.87 0.00 0.00 176.83 176.04 1sg0 s ASN 61 N -5.90 -0.35 0.00 4.97 3.84 -1.26 -4.99 114.94 111.24 1sg0 s ASN 61 Ca 0.04 -2.19 0.09 0.00 0.21 0.00 0.00 52.86 51.01 1sg0 s ASN 61 Cb 0.07 1.03 0.51 0.00 -0.55 0.00 0.00 41.25 42.31 1sg0 s ASN 61 CO 0.60 -0.10 0.94 -0.81 -2.79 0.00 0.00 177.10 174.93 1sg0 n PRO 62 N 2.98 0.43 -0.08 0.43 -0.04 -1.26 -3.04 135.00 134.42 1sg0 n PRO 62 Ca 0.22 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.53 1sg0 n PRO 62 Cb 0.53 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 1sg0 n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1sg0 h GLU 63 N 0.00 0.00 -4.07 0.54 4.39 -1.97 -3.45 114.58 110.03 1sg0 h GLU 63 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1sg0 h GLU 63 Cb 0.00 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 28.27 1sg0 h GLU 63 CO 0.00 0.80 -0.79 0.08 -1.16 0.00 0.00 179.01 177.94 1sg0 s VAL 64 N -2.21 0.92 -0.32 3.13 1.01 -1.17 -5.11 120.40 116.65 1sg0 s VAL 64 Ca -0.21 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1sg0 s VAL 64 Cb 0.01 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1sg0 s VAL 64 CO 0.54 0.21 1.02 0.12 0.00 0.00 0.00 175.10 176.99 1sg0 s PHE 65 N 1.73 3.16 -0.36 5.22 5.36 -1.26 -4.82 117.98 127.03 1sg0 s PHE 65 Ca 0.03 1.13 -0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1sg0 s PHE 65 Cb -0.14 -3.60 0.09 0.00 -0.34 0.00 0.00 43.02 39.04 1sg0 s PHE 65 CO -0.08 -0.72 0.10 1.21 -1.46 0.00 0.00 175.22 174.27 1sg0 s ASN 66 N 1.64 4.99 0.19 6.13 3.84 -1.26 -5.01 114.94 125.45 1sg0 s ASN 66 Ca 0.43 -1.89 -0.14 0.00 0.21 0.00 0.00 52.86 51.47 1sg0 s ASN 66 Cb -0.13 -1.73 0.19 0.00 -0.55 0.00 0.00 41.25 39.04 1sg0 s ASN 66 CO 0.15 -0.42 1.68 0.22 -2.79 0.00 0.00 177.10 175.94 1sg0 h TYR 67 N 7.89 -0.04 -0.04 0.43 3.20 -1.97 0.29 116.97 126.73 1sg0 h TYR 67 Ca -0.12 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1sg0 h TYR 67 Cb 1.04 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1sg0 h TYR 67 CO 0.54 -0.12 -0.03 0.78 -1.64 0.00 0.00 178.16 177.69 1sg0 h GLY 68 N 0.11 0.00 0.88 1.82 0.00 -1.99 -0.76 103.07 103.14 1sg0 h GLY 68 Ca 0.25 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1sg0 h GLY 68 CO -0.42 -0.04 0.00 -2.08 0.00 0.00 0.00 176.54 174.00 1sg0 h VAL 69 N -0.04 1.26 -0.43 4.60 2.07 -1.93 -2.11 116.25 119.67 1sg0 h VAL 69 Ca 0.03 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1sg0 h VAL 69 Cb 0.08 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1sg0 h VAL 69 CO -0.06 0.30 0.28 -0.33 0.02 0.00 0.00 177.57 177.77 1sg0 h GLU 70 N 0.33 0.57 -0.17 1.57 4.39 -0.84 -1.18 114.58 119.25 1sg0 h GLU 70 Ca 0.09 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1sg0 h GLU 70 Cb 0.43 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1sg0 h GLU 70 CO 0.01 0.39 -0.42 1.79 -1.16 0.00 0.00 179.01 179.63 1sg0 h THR 71 N 0.58 1.31 -0.17 1.13 1.35 -1.14 0.37 112.91 116.34 1sg0 h THR 71 Ca 0.16 -1.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 1sg0 h THR 71 Cb -0.05 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1sg0 h THR 71 CO -0.03 0.48 0.06 -0.74 -0.25 0.00 0.00 175.52 175.04 1sg0 h HIS 72 N 0.32 0.28 -0.72 4.73 -0.00 -1.10 -0.05 115.15 118.60 1sg0 h HIS 72 Ca 0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1sg0 h HIS 72 Cb 0.88 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.17 1sg0 h HIS 72 CO 0.02 0.37 0.30 1.49 -0.00 0.00 0.00 177.93 180.11 1sg0 h GLU 73 N 0.11 1.07 -0.76 5.26 4.57 -1.09 -2.45 114.58 121.30 1sg0 h GLU 73 Ca 0.06 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 1sg0 h GLU 73 Cb 0.22 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1sg0 h GLU 73 CO -0.00 0.87 0.26 0.00 -1.18 0.00 0.00 179.01 178.96 1sg0 h ALA 74 N 1.14 1.03 -0.22 2.92 0.00 -0.69 -1.17 119.26 122.28 1sg0 h ALA 74 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sg0 h ALA 74 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sg0 h ALA 74 CO -0.02 0.66 0.12 -0.92 0.00 0.00 0.00 179.25 179.09 1sg0 h TYR 75 N 1.11 0.29 0.00 0.00 3.20 -0.70 0.33 116.97 121.20 1sg0 h TYR 75 Ca 0.25 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1sg0 h TYR 75 Cb 0.27 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1sg0 h TYR 75 CO 0.02 0.25 -0.21 0.87 -1.64 0.00 0.00 178.16 177.46 1sg0 h LYS 76 N 0.25 0.00 -0.61 1.82 1.57 -1.20 -2.63 116.57 115.76 1sg0 h LYS 76 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1sg0 h LYS 76 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1sg0 h LYS 76 CO -0.01 0.21 0.00 1.04 -0.57 0.00 0.00 179.45 180.12 1sg0 n GLN 77 N -3.77 3.14 -3.79 3.15 1.13 -0.46 -4.97 117.38 111.80 1sg0 n GLN 77 Ca -0.02 -2.65 -0.24 0.00 -1.94 0.00 0.00 57.00 52.15 1sg0 n GLN 77 Cb 0.32 -1.65 0.02 0.00 0.11 0.00 0.00 30.24 29.04 1sg0 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1sg0 n ARG 78 N 1.16 -4.88 -1.01 -1.09 1.74 0.06 -4.91 116.66 107.73 1sg0 n ARG 78 Ca 0.23 0.59 0.03 0.00 -0.77 0.00 0.00 57.85 57.92 1sg0 n ARG 78 Cb 0.70 -5.19 0.14 0.00 -1.02 0.00 0.00 32.46 27.09 1sg0 n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1sg0 n SER 79 N -2.98 1.75 -4.89 0.55 7.64 0.94 -5.03 113.62 111.59 1sg0 n SER 79 Ca -0.20 -3.34 -0.29 0.00 1.01 0.00 0.00 58.87 56.05 1sg0 n SER 79 Cb 0.64 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 1sg0 n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sg0 s LEU 80 N -2.42 3.87 0.58 -3.43 1.43 -1.25 0.28 118.68 117.74 1sg0 s LEU 80 Ca 0.38 0.92 -0.20 0.00 -1.03 0.00 0.00 54.13 54.19 1sg0 s LEU 80 Cb 0.38 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1sg0 s LEU 80 CO -0.09 -0.37 1.28 0.00 0.23 0.00 0.00 176.35 177.40 1sg0 n ALA 81 N -1.41 1.21 0.07 4.21 0.00 -0.53 -4.68 120.51 119.39 1sg0 n ALA 81 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1sg0 n ALA 81 Cb 0.54 -2.31 0.40 0.00 0.00 0.00 0.00 19.45 18.09 1sg0 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sg0 h SER 82 N 1.01 0.33 -0.33 0.00 4.64 -1.95 -2.27 113.55 114.99 1sg0 h SER 82 Ca -0.50 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.73 1sg0 h SER 82 Cb 1.33 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1sg0 h SER 82 CO 0.55 0.38 0.06 -2.24 -0.87 0.00 0.00 176.83 174.71 1sg0 h ASP 83 N 0.35 0.58 -0.00 4.97 2.03 -2.00 0.82 116.42 123.18 1sg0 h ASP 83 Ca 0.08 -0.10 -0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1sg0 h ASP 83 Cb 0.21 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1sg0 h ASP 83 CO 0.00 0.61 -0.00 0.40 -1.03 0.00 0.00 179.24 179.22 1sg0 h ILE 84 N 0.61 1.47 -0.13 4.15 2.04 -1.82 -3.04 117.51 120.78 1sg0 h ILE 84 Ca 0.13 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1sg0 h ILE 84 Cb 0.29 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1sg0 h ILE 84 CO 0.00 0.36 -0.03 0.71 0.00 0.00 0.00 178.15 179.19 1sg0 h THR 85 N -0.58 1.11 -0.62 -0.27 1.35 -1.19 -0.92 112.91 111.79 1sg0 h THR 85 Ca 0.00 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 65.38 1sg0 h THR 85 Cb 0.58 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1sg0 h THR 85 CO 0.00 0.14 0.24 0.44 -0.25 0.00 0.00 175.52 176.09 1sg0 h ASP 86 N 0.19 0.86 -0.46 5.36 3.32 -0.86 -1.38 116.42 123.45 1sg0 h ASP 86 Ca 0.05 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 1sg0 h ASP 86 Cb 0.19 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1sg0 h ASP 86 CO 0.01 0.80 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.80 1sg0 h GLU 87 N 0.86 0.96 -0.49 3.56 4.39 -1.22 -2.82 114.58 119.83 1sg0 h GLU 87 Ca 0.20 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 1sg0 h GLU 87 Cb 0.21 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1sg0 h GLU 87 CO -0.02 1.06 0.16 1.96 -1.16 0.00 0.00 179.01 181.01 1sg0 h GLN 88 N 0.84 0.72 -0.47 2.33 4.20 -0.87 -1.07 115.11 120.79 1sg0 h GLN 88 Ca 0.11 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1sg0 h GLN 88 Cb 0.76 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1sg0 h GLN 88 CO 0.06 0.63 0.18 -0.22 -0.67 0.00 0.00 178.83 178.81 1sg0 h LYS 89 N 0.71 0.70 -0.70 1.46 3.64 -1.10 0.19 116.57 121.47 1sg0 h LYS 89 Ca 0.17 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1sg0 h LYS 89 Cb 0.21 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1sg0 h LYS 89 CO -0.01 0.64 0.38 0.87 -2.27 0.00 0.00 179.45 179.05 1sg0 h LYS 90 N 0.61 0.98 -0.25 1.90 1.57 -1.17 -2.14 116.57 118.07 1sg0 h LYS 90 Ca 0.16 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1sg0 h LYS 90 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1sg0 h LYS 90 CO -0.01 0.74 -0.19 0.28 -0.57 0.00 0.00 179.45 179.70 1sg0 h VAL 91 N 0.96 1.31 -1.00 0.50 2.07 -0.91 -2.25 116.25 116.94 1sg0 h VAL 91 Ca 0.25 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1sg0 h VAL 91 Cb 0.05 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1sg0 h VAL 91 CO -0.04 0.41 0.64 -0.09 0.02 0.00 0.00 177.57 178.52 1sg0 h ARG 92 N 0.28 1.13 0.00 1.57 2.43 -0.47 -2.25 114.38 117.07 1sg0 h ARG 92 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sg0 h ARG 92 Cb 0.73 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1sg0 h ARG 92 CO 0.05 0.74 -0.25 0.93 -1.51 0.00 0.00 179.97 179.93 1sg0 h GLU 93 N 1.16 0.00 -6.89 0.20 5.08 -1.37 -3.47 114.58 109.30 1sg0 h GLU 93 Ca 0.43 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.31 1sg0 h GLU 93 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1sg0 h GLU 93 CO -0.18 0.00 0.39 0.00 -1.00 0.00 0.00 179.01 178.22 1sg0 s ALA 94 N -3.18 3.21 -0.12 3.43 0.00 -0.85 -4.71 121.76 119.53 1sg0 s ALA 94 Ca 0.07 0.65 0.18 0.00 0.00 0.00 0.00 51.96 52.86 1sg0 s ALA 94 Cb 0.10 -3.24 -0.21 0.00 0.00 0.00 0.00 23.12 19.77 1sg0 s ALA 94 CO 0.67 -0.01 0.55 -0.25 0.00 0.00 0.00 175.76 176.72 1sg0 n ASP 95 N 0.52 0.49 -3.81 0.00 8.00 0.11 -4.88 116.55 116.97 1sg0 n ASP 95 Ca 0.02 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 1sg0 n ASP 95 Cb 0.49 0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 42.13 1sg0 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sg0 s LEU 96 N -5.51 1.39 -0.21 0.64 2.96 -0.97 -0.91 118.68 116.06 1sg0 s LEU 96 Ca -0.06 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1sg0 s LEU 96 Cb 0.09 0.22 0.04 0.00 0.50 0.00 0.00 46.19 47.04 1sg0 s LEU 96 CO 0.83 -0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.95 1sg0 s VAL 97 N 0.47 2.01 -0.18 1.68 1.01 0.13 -1.13 120.40 124.39 1sg0 s VAL 97 Ca -0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 60.71 1sg0 s VAL 97 Cb -0.05 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1sg0 s VAL 97 CO -0.02 0.30 0.08 -0.63 0.00 0.00 0.00 175.10 174.83 1sg0 s ILE 98 N 1.26 4.96 -0.23 2.22 1.01 -0.05 -1.24 121.20 129.13 1sg0 s ILE 98 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 1sg0 s ILE 98 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1sg0 s ILE 98 CO -0.10 0.47 0.05 -0.36 0.00 0.00 0.00 174.94 175.00 1sg0 s PHE 99 N 0.28 3.08 -0.26 3.97 0.08 -0.07 -0.53 117.98 124.54 1sg0 s PHE 99 Ca 0.05 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 1sg0 s PHE 99 Cb -0.12 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 1sg0 s PHE 99 CO -0.00 -0.29 -0.03 -1.14 -0.10 0.00 0.00 175.22 173.65 1sg0 s GLN 100 N 1.36 2.85 0.05 0.44 2.00 -0.14 -0.19 119.66 126.04 1sg0 s GLN 100 Ca 0.05 -0.98 -0.27 0.00 -2.00 0.00 0.00 55.36 52.17 1sg0 s GLN 100 Cb -0.15 -3.06 0.08 0.00 0.80 0.00 0.00 33.01 30.68 1sg0 s GLN 100 CO 0.03 -0.42 0.70 -0.59 -0.50 0.00 0.00 175.29 174.51 1sg0 s PHE 101 N 1.35 -0.53 0.15 1.67 -0.12 -0.78 -1.17 117.98 118.55 1sg0 s PHE 101 Ca 0.00 0.54 -0.21 0.00 -0.05 0.00 0.00 56.93 57.21 1sg0 s PHE 101 Cb -0.17 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 1sg0 s PHE 101 CO -0.03 -0.70 0.67 -1.25 -0.05 0.00 0.00 175.22 173.86 1sg0 s PRO 102 N -2.80 4.30 0.07 1.99 0.04 -1.26 -2.07 135.00 135.28 1sg0 s PRO 102 Ca -0.02 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 1sg0 s PRO 102 Cb -0.01 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 1sg0 s PRO 102 CO -0.05 0.54 1.50 -1.17 0.04 0.00 0.00 177.00 177.86 1sg0 s LEU 103 N -1.43 4.35 -0.23 -3.56 2.96 0.76 -4.33 118.68 117.19 1sg0 s LEU 103 Ca 0.35 2.35 0.02 0.00 -0.22 0.00 0.00 54.13 56.63 1sg0 s LEU 103 Cb -0.19 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 42.98 1sg0 s LEU 103 CO 0.22 -0.77 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.05 1sg0 s TYR 104 N 2.01 2.94 -1.26 5.38 1.51 0.15 -4.78 117.35 123.29 1sg0 s TYR 104 Ca 0.68 -2.02 -0.06 0.00 -1.01 0.00 0.00 57.07 54.66 1sg0 s TYR 104 Cb -0.37 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1sg0 s TYR 104 CO 0.30 -0.83 0.67 0.91 -1.11 0.00 0.00 175.55 175.49 1sg0 n TRP 105 N 4.53 -1.89 -2.07 2.71 5.03 -1.26 -1.43 117.44 123.07 1sg0 n TRP 105 Ca -0.15 0.71 -0.18 0.00 3.03 0.00 0.00 57.50 60.90 1sg0 n TRP 105 Cb 0.44 -3.95 -0.04 0.00 -1.03 0.00 0.00 31.31 26.73 1sg0 n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1sg0 n PHE 106 N -4.20 -0.73 -2.60 -5.99 3.01 -1.26 -4.89 117.46 100.80 1sg0 n PHE 106 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1sg0 n PHE 106 Cb 0.65 -3.46 0.00 0.00 -0.01 0.00 0.00 39.48 36.66 1sg0 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sg0 n SER 107 N -1.62 0.00 -4.89 4.37 2.88 -0.52 -4.85 113.62 108.99 1sg0 n SER 107 Ca -0.21 -0.40 -0.30 0.00 -1.33 0.00 0.00 58.87 56.63 1sg0 n SER 107 Cb 0.64 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1sg0 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1sg0 s VAL 108 N -2.69 4.92 0.64 2.46 -7.23 -1.26 -0.68 120.40 116.57 1sg0 s VAL 108 Ca 0.00 0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 60.31 1sg0 s VAL 108 Cb 0.00 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 1sg0 s VAL 108 CO 0.00 -0.33 1.26 -2.65 -0.31 0.00 0.00 175.10 173.07 1sg0 n PRO 109 N -0.89 1.10 -0.27 4.82 -0.02 -1.26 -4.63 135.00 133.85 1sg0 n PRO 109 Ca 0.00 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.11 1sg0 n PRO 109 Cb 0.54 -2.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.01 1sg0 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sg0 h ALA 110 N 0.54 2.16 -0.39 3.55 0.00 -1.96 0.18 119.26 123.34 1sg0 h ALA 110 Ca -0.51 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1sg0 h ALA 110 Cb 1.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1sg0 h ALA 110 CO 0.53 -0.48 0.04 0.97 0.00 0.00 0.00 179.25 180.31 1sg0 h ILE 111 N 0.45 1.20 0.04 0.00 2.10 -1.93 0.04 117.51 119.41 1sg0 h ILE 111 Ca 0.51 -0.78 -0.23 0.00 1.08 0.00 0.00 64.86 65.44 1sg0 h ILE 111 Cb 1.21 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 1sg0 h ILE 111 CO -0.22 0.28 -1.02 0.25 -1.08 0.00 0.00 178.15 176.35 1sg0 h LEU 112 N 0.58 0.28 -1.05 2.19 5.85 -1.36 -2.75 115.31 119.06 1sg0 h LEU 112 Ca 0.13 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1sg0 h LEU 112 Cb 0.31 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1sg0 h LEU 112 CO 0.01 1.13 0.26 0.50 -0.34 0.00 0.00 178.44 180.00 1sg0 h LYS 113 N 0.08 0.94 -0.75 1.25 1.63 -0.63 -1.85 116.57 117.24 1sg0 h LYS 113 Ca -0.07 -0.15 -0.04 0.00 -0.85 0.00 0.00 60.65 59.54 1sg0 h LYS 113 Cb 1.71 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 33.14 1sg0 h LYS 113 CO 0.16 0.76 0.32 0.78 -3.45 0.00 0.00 179.45 178.02 1sg0 h GLY 114 N 1.02 1.19 0.99 5.01 0.00 -0.89 0.10 103.07 110.49 1sg0 h GLY 114 Ca 0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1sg0 h GLY 114 CO -0.02 0.59 0.32 -0.25 0.00 0.00 0.00 176.54 177.18 1sg0 h TRP 115 N 1.09 0.74 -0.17 5.60 7.01 -1.09 -0.46 115.95 128.67 1sg0 h TRP 115 Ca 0.25 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 1sg0 h TRP 115 Cb 0.18 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1sg0 h TRP 115 CO 0.02 0.52 0.02 0.52 -2.79 0.00 0.00 178.44 176.73 1sg0 h MET 116 N 0.74 0.28 -0.67 2.65 2.86 -0.72 0.97 114.93 121.04 1sg0 h MET 116 Ca 0.20 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1sg0 h MET 116 Cb 0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 1sg0 h MET 116 CO -0.03 0.47 0.43 -0.44 1.06 0.00 0.00 176.91 178.39 1sg0 h ASP 117 N 0.06 0.72 0.33 1.22 3.32 -0.62 -2.88 116.42 118.57 1sg0 h ASP 117 Ca 0.05 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.77 1sg0 h ASP 117 Cb 0.33 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1sg0 h ASP 117 CO 0.00 0.51 -1.80 0.03 -1.72 0.00 0.00 179.24 176.26 1sg0 h ARG 118 N 0.85 0.15 0.20 3.56 3.08 -1.05 -3.40 114.38 117.76 1sg0 h ARG 118 Ca 0.26 -0.26 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1sg0 h ARG 118 Cb -0.04 0.10 0.03 0.00 0.08 0.00 0.00 29.97 30.15 1sg0 h ARG 118 CO -0.08 0.90 -1.38 0.28 -1.07 0.00 0.00 179.97 178.62 1sg0 h VAL 119 N 0.04 1.30 -0.74 2.04 2.07 -0.89 -3.37 116.25 116.69 1sg0 h VAL 119 Ca -0.34 -2.63 -0.69 0.00 0.82 0.00 0.00 66.70 63.86 1sg0 h VAL 119 Cb 2.02 2.90 -0.08 0.00 -1.52 0.00 0.00 31.29 34.62 1sg0 h VAL 119 CO 0.10 0.79 2.68 0.18 0.02 0.00 0.00 177.57 181.34 1sg0 n LEU 120 N -3.73 8.11 -4.89 2.57 4.77 -1.09 -4.81 117.00 117.94 1sg0 n LEU 120 Ca -0.15 -4.62 -0.29 0.00 -0.03 0.00 0.00 56.01 50.91 1sg0 n LEU 120 Cb 1.06 -1.42 0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1sg0 n LEU 120 CO 0.59 2.04 0.69 0.00 -1.33 0.00 0.00 177.39 179.39 1sg0 s GLN 122 N -5.25 4.31 0.00 0.00 0.74 -1.26 -1.69 119.66 116.50 1sg0 s GLN 122 Ca 0.57 2.28 0.00 0.00 0.05 0.00 0.00 55.36 58.26 1sg0 s GLN 122 Cb -0.11 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1sg0 s GLN 122 CO 0.50 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.38 1sg0 n GLY 123 N 0.93 2.82 0.09 2.59 0.00 0.18 -4.44 105.19 107.36 1sg0 n GLY 123 Ca 0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1sg0 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sg0 n PHE 124 N 0.00 0.07 0.16 1.61 7.35 -0.87 -4.73 117.46 121.05 1sg0 n PHE 124 Ca 0.00 0.03 0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1sg0 n PHE 124 Cb 0.00 -0.57 -0.01 0.00 0.35 0.00 0.00 39.48 39.26 1sg0 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sg0 n ALA 125 N -4.38 2.65 -3.70 3.13 0.00 -0.68 -4.64 120.51 112.89 1sg0 n ALA 125 Ca -0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1sg0 n ALA 125 Cb 0.54 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1sg0 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sg0 s PHE 126 N -3.36 -0.11 0.20 0.00 -0.71 -1.26 -2.46 117.98 110.28 1sg0 s PHE 126 Ca -0.01 -0.12 -0.14 0.00 -1.04 0.00 0.00 56.93 55.63 1sg0 s PHE 126 Cb 0.11 0.60 0.01 0.00 -1.21 0.00 0.00 43.02 42.53 1sg0 s PHE 126 CO 0.80 -0.64 0.45 0.34 -1.34 0.00 0.00 175.22 174.83 1sg0 s ASP 127 N -2.91 -0.12 0.29 1.98 -1.08 -0.55 0.47 116.67 114.74 1sg0 s ASP 127 Ca 0.12 -0.72 0.03 0.00 -0.52 0.00 0.00 52.55 51.46 1sg0 s ASP 127 Cb 0.00 0.54 0.72 0.00 -1.46 0.00 0.00 42.92 42.73 1sg0 s ASP 127 CO -0.00 -1.04 1.66 -0.29 0.52 0.00 0.00 175.17 176.01 1sg0 h ILE 128 N 2.31 0.34 0.01 4.11 6.09 -2.01 -1.70 117.51 126.66 1sg0 h ILE 128 Ca -0.29 -0.08 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1sg0 h ILE 128 Cb 1.25 0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1sg0 h ILE 128 CO 0.40 0.04 -0.01 -0.65 -3.07 0.00 0.00 178.15 174.86 1sg0 h PRO 129 N 0.24 -0.02 -4.64 2.19 0.11 -1.97 -3.43 132.00 124.49 1sg0 h PRO 129 Ca 0.56 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.96 1sg0 h PRO 129 Cb 1.12 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.03 1sg0 h PRO 129 CO -0.63 0.69 0.00 0.20 -0.21 0.00 0.00 178.00 178.05 1sg0 s GLY 130 N -3.65 1.85 0.10 -0.55 0.00 -0.64 -4.91 107.32 99.52 1sg0 s GLY 130 Ca -0.17 -2.13 -0.08 0.00 0.00 0.00 0.00 44.72 42.34 1sg0 s GLY 130 CO 0.66 1.44 0.20 -0.11 0.00 0.00 0.00 173.10 175.28 1sg0 s PHE 131 N 2.41 0.24 0.00 1.90 -0.12 -1.21 -1.48 117.98 119.71 1sg0 s PHE 131 Ca 0.10 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 1sg0 s PHE 131 Cb -0.24 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 1sg0 s PHE 131 CO 0.07 -0.57 0.00 0.66 -0.05 0.00 0.00 175.22 175.33 1sg0 n TYR 132 N -0.09 0.00 -0.10 3.49 4.01 0.22 -1.27 117.16 123.42 1sg0 n TYR 132 Ca -0.13 0.00 0.24 0.00 -0.16 0.00 0.00 57.90 57.85 1sg0 n TYR 132 Cb 0.62 0.00 0.69 0.00 -0.31 0.00 0.00 39.34 40.35 1sg0 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1sg0 h ASP 133 N 0.00 0.03 -0.50 7.72 5.19 -1.88 0.34 116.42 127.31 1sg0 h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1sg0 h ASP 133 Cb 0.00 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1sg0 h ASP 133 CO 0.00 0.01 0.00 -1.20 -3.12 0.00 0.00 179.24 174.93 1sg0 n SER 134 N -4.33 2.83 -4.51 6.45 7.64 -0.40 -4.89 113.62 116.40 1sg0 n SER 134 Ca 0.14 -1.98 -0.40 0.00 1.01 0.00 0.00 58.87 57.65 1sg0 n SER 134 Cb 0.78 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1sg0 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sg0 n GLY 135 N 1.35 -1.05 0.20 0.23 0.00 0.12 -3.34 105.19 102.70 1sg0 n GLY 135 Ca 0.18 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1sg0 n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sg0 h LEU 136 N 0.74 0.00 -3.63 0.99 3.38 -1.30 -2.08 115.31 113.41 1sg0 h LEU 136 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1sg0 h LEU 136 Cb 1.38 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 1sg0 h LEU 136 CO 0.51 0.00 0.17 0.18 0.09 0.00 0.00 178.44 179.39 1sg0 n LEU 137 N -2.54 5.93 -4.75 1.67 4.77 0.19 -4.98 117.00 117.29 1sg0 n LEU 137 Ca 0.00 -3.06 -0.37 0.00 -0.03 0.00 0.00 56.01 52.56 1sg0 n LEU 137 Cb 0.18 -0.72 0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1sg0 n LEU 137 CO 0.19 0.73 0.91 0.00 -1.33 0.00 0.00 177.39 177.89 1sg0 s GLN 138 N -2.86 2.97 0.00 3.23 -2.07 -0.78 -2.22 119.66 117.93 1sg0 s GLN 138 Ca 0.54 2.04 0.00 0.00 -1.82 0.00 0.00 55.36 56.12 1sg0 s GLN 138 Cb 0.42 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 30.28 1sg0 s GLN 138 CO 0.14 -1.26 0.00 0.41 -1.32 0.00 0.00 175.29 173.26 1sg0 n GLY 139 N 0.70 3.40 3.88 2.60 0.00 -1.26 -5.00 105.19 109.51 1sg0 n GLY 139 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1sg0 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg0 s LYS 140 N -0.82 3.74 0.01 1.61 1.02 -0.94 -4.95 119.74 119.40 1sg0 s LYS 140 Ca 0.00 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1sg0 s LYS 140 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1sg0 s LYS 140 CO 0.00 0.38 0.06 -0.51 -0.92 0.00 0.00 175.35 174.36 1sg0 s LEU 141 N -2.72 3.79 0.03 3.17 1.43 -0.09 -0.55 118.68 123.73 1sg0 s LEU 141 Ca 0.45 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1sg0 s LEU 141 Cb -0.12 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1sg0 s LEU 141 CO 0.22 0.26 -0.10 0.00 0.23 0.00 0.00 176.35 176.96 1sg0 s ALA 142 N -1.20 0.85 -0.09 4.21 0.00 -0.31 -0.69 121.76 124.54 1sg0 s ALA 142 Ca 0.23 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 1sg0 s ALA 142 Cb -0.12 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.93 1sg0 s ALA 142 CO 0.14 0.14 0.19 -1.17 0.00 0.00 0.00 175.76 175.06 1sg0 s LEU 143 N -0.97 0.47 -0.30 0.00 0.20 -0.38 -0.76 118.68 116.93 1sg0 s LEU 143 Ca -0.01 0.41 -0.14 0.00 0.69 0.00 0.00 54.13 55.09 1sg0 s LEU 143 Cb -0.07 0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 46.19 1sg0 s LEU 143 CO 0.01 -0.17 0.30 -0.76 -0.29 0.00 0.00 176.35 175.43 1sg0 s LEU 144 N 1.38 4.22 -0.41 -0.68 1.43 -1.26 -0.89 118.68 122.46 1sg0 s LEU 144 Ca -0.08 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1sg0 s LEU 144 Cb -0.11 -2.27 0.10 0.00 0.03 0.00 0.00 46.19 43.94 1sg0 s LEU 144 CO -0.07 -0.20 0.22 -0.55 0.23 0.00 0.00 176.35 175.98 1sg0 s SER 145 N 1.71 5.38 0.08 2.29 0.15 0.74 -0.83 113.70 123.23 1sg0 s SER 145 Ca 0.10 -1.81 0.08 0.00 0.70 0.00 0.00 55.95 55.03 1sg0 s SER 145 Cb -0.16 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1sg0 s SER 145 CO 0.11 -0.54 -0.18 0.54 1.20 0.00 0.00 173.24 174.37 1sg0 s VAL 146 N 1.26 2.83 0.11 4.45 0.11 0.08 -1.87 120.40 127.37 1sg0 s VAL 146 Ca 0.05 -1.34 0.09 0.00 -2.93 0.00 0.00 61.98 57.85 1sg0 s VAL 146 Cb -0.23 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 1sg0 s VAL 146 CO -0.02 0.22 -0.17 0.42 -3.33 0.00 0.00 175.10 172.21 1sg0 s THR 147 N -1.04 2.88 0.25 5.04 -4.23 -0.88 -0.86 115.64 116.82 1sg0 s THR 147 Ca 0.16 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1sg0 s THR 147 Cb -0.11 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1sg0 s THR 147 CO 0.08 0.11 -0.01 0.42 -0.54 0.00 0.00 174.62 174.68 1sg0 s THR 148 N -1.14 1.19 -0.14 3.99 -4.23 -1.04 -0.17 115.64 114.09 1sg0 s THR 148 Ca 0.18 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1sg0 s THR 148 Cb -0.11 -2.43 -0.24 0.00 1.34 0.00 0.00 72.50 71.06 1sg0 s THR 148 CO 0.10 -0.27 0.26 0.61 -0.54 0.00 0.00 174.62 174.78 1sg0 n GLY 149 N -0.49 -0.57 3.80 3.99 0.00 -1.26 -2.12 105.19 108.54 1sg0 n GLY 149 Ca -0.05 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1sg0 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg0 s GLY 150 N -5.73 2.27 0.67 -0.02 0.00 -1.26 -4.42 107.32 98.83 1sg0 s GLY 150 Ca -0.23 0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 1sg0 s GLY 150 CO 0.74 0.77 1.04 -0.51 0.00 0.00 0.00 173.10 175.14 1sg0 s THR 151 N -2.29 3.57 0.32 0.90 -4.23 -1.26 -3.14 115.64 109.51 1sg0 s THR 151 Ca 0.65 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.53 1sg0 s THR 151 Cb -0.16 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.48 1sg0 s THR 151 CO 0.30 -0.60 1.95 0.00 -0.54 0.00 0.00 174.62 175.73 1sg0 h ALA 152 N -0.51 1.55 -0.81 3.99 0.00 -1.93 -1.67 119.26 119.88 1sg0 h ALA 152 Ca -0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sg0 h ALA 152 Cb 1.25 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1sg0 h ALA 152 CO 0.63 0.36 0.49 1.49 0.00 0.00 0.00 179.25 182.21 1sg0 h GLU 153 N 0.95 1.10 -0.13 0.00 4.57 -2.00 -1.71 114.58 117.36 1sg0 h GLU 153 Ca 0.33 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1sg0 h GLU 153 Cb 0.10 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1sg0 h GLU 153 CO -0.10 0.77 -0.19 0.52 -1.18 0.00 0.00 179.01 178.83 1sg0 h MET 154 N 1.11 0.21 -2.10 1.92 2.86 -1.69 -3.10 114.93 114.14 1sg0 h MET 154 Ca 0.29 -0.06 -0.56 0.00 -2.06 0.00 0.00 59.70 57.31 1sg0 h MET 154 Cb -0.04 -0.02 -0.18 0.00 0.06 0.00 0.00 31.60 31.42 1sg0 h MET 154 CO -0.05 0.41 0.78 0.66 1.06 0.00 0.00 176.91 179.76 1sg0 n TYR 155 N -4.22 1.87 -4.46 -0.22 4.01 -0.64 -1.32 117.16 112.18 1sg0 n TYR 155 Ca -0.01 -2.12 -0.23 0.00 -0.16 0.00 0.00 57.90 55.38 1sg0 n TYR 155 Cb 0.31 -1.44 -0.10 0.00 -0.31 0.00 0.00 39.34 37.80 1sg0 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1sg0 s THR 156 N -2.31 2.40 0.29 -0.72 -4.23 -1.09 -3.18 115.64 106.80 1sg0 s THR 156 Ca 0.57 -2.38 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1sg0 s THR 156 Cb 0.35 -2.27 0.30 0.00 1.34 0.00 0.00 72.50 72.22 1sg0 s THR 156 CO -0.21 -0.42 1.66 0.11 -0.54 0.00 0.00 174.62 175.22 1sg0 h LYS 157 N 2.31 0.27 -0.31 3.99 1.57 -1.91 0.29 116.57 122.79 1sg0 h LYS 157 Ca -0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1sg0 h LYS 157 Cb 1.26 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1sg0 h LYS 157 CO 0.60 0.18 0.00 0.25 -0.57 0.00 0.00 179.45 179.91 1sg0 n THR 158 N -5.16 0.39 -1.78 -0.16 -2.24 -1.26 -4.62 114.28 99.45 1sg0 n THR 158 Ca 0.22 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 1sg0 n THR 158 Cb 0.68 0.94 0.07 0.00 -2.10 0.00 0.00 70.33 69.92 1sg0 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sg0 s GLY 159 N -1.57 1.61 0.45 3.38 0.00 0.10 -4.96 107.32 106.34 1sg0 s GLY 159 Ca 0.36 -0.39 0.12 0.00 0.00 0.00 0.00 44.72 44.82 1sg0 s GLY 159 CO 0.31 0.03 2.03 -0.39 0.00 0.00 0.00 173.10 175.08 1sg0 h VAL 160 N -0.92 1.10 0.00 1.40 -1.51 -1.81 -2.80 116.25 111.71 1sg0 h VAL 160 Ca -0.46 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1sg0 h VAL 160 Cb 1.28 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1sg0 h VAL 160 CO 0.63 0.13 -0.84 0.59 -1.23 0.00 0.00 177.57 176.84 1sg0 n ASN 161 N -4.40 0.65 0.00 4.19 3.02 -0.44 -5.07 115.26 113.22 1sg0 n ASN 161 Ca -0.01 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1sg0 n ASN 161 Cb 0.17 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1sg0 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sg0 n GLY 162 N 1.43 -1.50 3.78 7.41 0.00 -1.06 -4.88 105.19 110.38 1sg0 n GLY 162 Ca 0.03 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1sg0 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sg0 s ASP 163 N -4.29 6.41 0.47 1.61 2.15 -1.15 -2.66 116.67 119.21 1sg0 s ASP 163 Ca 0.00 3.00 0.15 0.00 0.43 0.00 0.00 52.55 56.12 1sg0 s ASP 163 Cb 0.00 -2.66 1.13 0.00 -0.30 0.00 0.00 42.92 41.08 1sg0 s ASP 163 CO 0.00 -0.83 2.06 0.77 -0.17 0.00 0.00 175.17 177.00 1sg0 h SER 164 N 3.14 0.21 0.07 -0.34 4.64 -1.88 -0.37 113.55 119.01 1sg0 h SER 164 Ca -0.50 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1sg0 h SER 164 Cb 1.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sg0 h SER 164 CO 0.65 0.14 -0.02 0.03 -0.87 0.00 0.00 176.83 176.76 1sg0 h ARG 165 N 0.24 0.00 -0.69 4.77 3.08 -1.90 -2.25 114.38 117.64 1sg0 h ARG 165 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1sg0 h ARG 165 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1sg0 h ARG 165 CO -0.03 0.02 0.26 1.88 -1.07 0.00 0.00 179.97 181.03 1sg0 h TYR 166 N 0.00 1.06 0.00 3.04 0.05 -1.24 -2.69 116.97 117.18 1sg0 h TYR 166 Ca -0.00 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1sg0 h TYR 166 Cb 0.06 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1sg0 h TYR 166 CO 0.00 0.83 -0.13 1.97 -1.05 0.00 0.00 178.16 179.77 1sg0 n PHE 167 N -4.37 0.23 0.18 4.88 1.16 -0.86 -3.48 117.46 115.20 1sg0 n PHE 167 Ca 0.05 0.07 0.07 0.00 -1.87 0.00 0.00 57.45 55.76 1sg0 n PHE 167 Cb 0.18 -0.56 0.16 0.00 -1.61 0.00 0.00 39.48 37.65 1sg0 n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1sg0 h LEU 168 N 0.00 0.00 -0.49 5.98 3.38 -1.37 -3.38 115.31 119.44 1sg0 h LEU 168 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1sg0 h LEU 168 Cb 0.57 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1sg0 h LEU 168 CO 0.00 0.32 -0.39 -0.25 0.09 0.00 0.00 178.44 178.20 1sg0 h TRP 169 N 0.00 -1.14 -0.98 1.13 2.91 -1.58 0.36 115.95 116.66 1sg0 h TRP 169 Ca -0.00 0.07 0.03 0.00 1.13 0.00 0.00 58.89 60.12 1sg0 h TRP 169 Cb 1.15 0.57 -0.05 0.00 -0.51 0.00 0.00 29.16 30.32 1sg0 h TRP 169 CO 0.00 -0.42 0.65 -1.35 -1.03 0.00 0.00 178.44 176.29 1sg0 h PRO 170 N -0.25 1.23 0.11 2.65 0.11 -1.84 -0.20 132.00 133.81 1sg0 h PRO 170 Ca 0.17 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1sg0 h PRO 170 Cb 0.57 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1sg0 h PRO 170 CO -0.62 0.81 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.86 1sg0 h LEU 171 N 1.27 -0.13 -0.14 2.35 3.38 -1.59 -1.91 115.31 118.55 1sg0 h LEU 171 Ca 0.38 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1sg0 h LEU 171 Cb -0.04 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sg0 h LEU 171 CO -0.11 0.50 -0.29 1.56 0.09 0.00 0.00 178.44 180.19 1sg0 h GLN 172 N -0.89 0.43 0.00 1.13 4.20 -0.33 -1.34 115.11 118.31 1sg0 h GLN 172 Ca -0.02 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 1sg0 h GLN 172 Cb 0.54 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1sg0 h GLN 172 CO 0.02 0.89 -0.66 1.58 -0.67 0.00 0.00 178.83 180.00 1sg0 n HIS 173 N -4.41 0.91 0.28 2.96 -0.00 -0.13 -0.30 115.22 114.54 1sg0 n HIS 173 Ca -0.07 0.40 0.14 0.00 0.46 0.00 0.00 57.72 58.65 1sg0 n HIS 173 Cb 0.47 -0.82 0.83 0.00 -0.12 0.00 0.00 29.99 30.35 1sg0 n HIS 173 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1sg0 h GLY 174 N -1.00 0.00 0.00 1.57 0.00 -1.23 -2.52 103.07 99.88 1sg0 h GLY 174 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1sg0 h GLY 174 CO -0.04 0.00 -0.02 2.41 0.00 0.00 0.00 176.54 178.89 1sg0 n THR 175 N -3.78 0.06 0.21 4.70 -1.04 -0.74 -4.54 114.28 109.15 1sg0 n THR 175 Ca -0.02 0.22 -0.15 0.00 -2.04 0.00 0.00 64.05 62.06 1sg0 n THR 175 Cb 0.15 -1.25 -0.08 0.00 -1.82 0.00 0.00 70.33 67.33 1sg0 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1sg0 h LEU 176 N -0.02 -0.42 -0.93 -4.42 3.38 -1.27 -2.46 115.31 109.17 1sg0 h LEU 176 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sg0 h LEU 176 Cb 0.02 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1sg0 h LEU 176 CO 0.00 -0.23 0.42 -0.74 0.09 0.00 0.00 178.44 177.97 1sg0 h HIS 177 N -0.59 1.17 -0.69 1.13 2.76 -0.72 -1.81 115.15 116.40 1sg0 h HIS 177 Ca -0.05 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1sg0 h HIS 177 Cb 0.43 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 1sg0 h HIS 177 CO -0.03 0.83 0.46 0.35 -1.30 0.00 0.00 177.93 178.24 1sg0 h PHE 178 N 1.17 0.67 -0.03 5.26 3.57 -1.33 0.02 116.94 126.26 1sg0 h PHE 178 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1sg0 h PHE 178 Cb 0.09 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1sg0 h PHE 178 CO 0.01 0.34 0.00 0.00 -2.23 0.00 0.00 178.31 176.43 1sg0 n GLY 180 N 1.04 0.47 3.77 0.00 0.00 -0.01 -0.64 105.19 109.82 1sg0 n GLY 180 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1sg0 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sg0 s PHE 181 N -2.17 2.74 -0.18 1.61 0.08 -0.75 -3.36 117.98 115.94 1sg0 s PHE 181 Ca 0.00 1.20 -0.22 0.00 0.12 0.00 0.00 56.93 58.03 1sg0 s PHE 181 Cb 0.00 -3.92 -0.02 0.00 -0.57 0.00 0.00 43.02 38.50 1sg0 s PHE 181 CO 0.00 -2.71 0.67 0.15 -0.10 0.00 0.00 175.22 173.23 1sg0 s LYS 182 N -1.82 4.25 -0.35 0.44 3.01 0.28 -4.32 119.74 121.23 1sg0 s LYS 182 Ca 0.53 0.71 -0.18 0.00 -1.01 0.00 0.00 55.97 56.02 1sg0 s LYS 182 Cb -0.45 -3.57 -0.01 0.00 -1.01 0.00 0.00 37.83 32.80 1sg0 s LYS 182 CO 0.58 -0.23 0.49 0.08 0.51 0.00 0.00 175.35 176.78 1sg0 s VAL 183 N 1.87 5.04 0.58 3.17 1.01 -1.26 -1.16 120.40 129.65 1sg0 s VAL 183 Ca 0.31 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 1sg0 s VAL 183 Cb -0.16 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1sg0 s VAL 183 CO 0.11 -0.19 1.02 -0.76 0.00 0.00 0.00 175.10 175.28 1sg0 s LEU 184 N 2.34 3.44 0.29 3.92 1.43 0.06 -0.50 118.68 129.66 1sg0 s LEU 184 Ca 0.18 1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 1sg0 s LEU 184 Cb -0.16 -4.50 -0.13 0.00 0.03 0.00 0.00 46.19 41.43 1sg0 s LEU 184 CO 0.13 -0.88 1.25 0.00 0.23 0.00 0.00 176.35 177.08 1sg0 n ALA 185 N -2.16 0.78 -1.63 4.21 0.00 -1.26 -4.65 120.51 115.80 1sg0 n ALA 185 Ca 0.07 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 1sg0 n ALA 185 Cb 0.54 -2.19 0.03 0.00 0.00 0.00 0.00 19.45 17.82 1sg0 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sg0 s PRO 186 N -1.31 3.03 -0.35 0.00 0.04 -1.26 -4.71 135.00 130.43 1sg0 s PRO 186 Ca 0.61 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 63.07 1sg0 s PRO 186 Cb -0.64 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1sg0 s PRO 186 CO 0.58 -1.09 0.15 -1.14 0.04 0.00 0.00 177.00 175.54 1sg0 s GLN 187 N -3.71 2.72 -0.26 4.56 2.00 -0.01 -5.00 119.66 119.96 1sg0 s GLN 187 Ca 0.70 -1.13 -0.02 0.00 -2.00 0.00 0.00 55.36 52.91 1sg0 s GLN 187 Cb -0.23 -3.58 0.02 0.00 0.80 0.00 0.00 33.01 30.03 1sg0 s GLN 187 CO 0.35 -0.68 -0.03 0.42 -0.50 0.00 0.00 175.29 174.85 1sg0 s ILE 188 N 1.47 3.06 -0.60 -2.34 1.01 -1.26 -0.74 121.20 121.80 1sg0 s ILE 188 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1sg0 s ILE 188 Cb -0.19 -2.57 0.15 0.00 0.01 0.00 0.00 42.46 39.86 1sg0 s ILE 188 CO 0.05 0.16 0.55 -0.44 0.00 0.00 0.00 174.94 175.25 1sg0 s SER 189 N 1.35 6.26 0.15 3.58 0.01 -0.04 -5.01 113.70 120.00 1sg0 s SER 189 Ca 0.00 -2.02 -0.30 0.00 1.31 0.00 0.00 55.95 54.94 1sg0 s SER 189 Cb -0.17 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 1sg0 s SER 189 CO -0.03 -0.77 1.26 -0.36 0.41 0.00 0.00 173.24 173.75 1sg0 s PHE 190 N 1.23 3.35 -0.62 2.43 0.08 -1.26 -2.50 117.98 120.70 1sg0 s PHE 190 Ca 0.07 1.25 -0.12 0.00 0.12 0.00 0.00 56.93 58.26 1sg0 s PHE 190 Cb -0.25 -3.52 0.02 0.00 -0.57 0.00 0.00 43.02 38.70 1sg0 s PHE 190 CO -0.00 -1.61 0.38 0.00 -0.10 0.00 0.00 175.22 173.89 1sg0 n ALA 191 N 3.15 -2.01 0.26 5.36 0.00 -0.90 -4.82 120.51 121.55 1sg0 n ALA 191 Ca 0.07 -0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1sg0 n ALA 191 Cb 0.44 -1.01 0.71 0.00 0.00 0.00 0.00 19.45 19.60 1sg0 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sg0 h PRO 192 N -0.06 0.00 -0.12 0.00 0.13 -1.77 -1.23 132.00 128.94 1sg0 h PRO 192 Ca -0.41 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 1sg0 h PRO 192 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1sg0 h PRO 192 CO 0.27 0.11 -0.38 0.93 -0.23 0.00 0.00 178.00 178.69 1sg0 h GLU 193 N 0.00 0.27 0.17 0.86 5.08 -1.88 -3.19 114.58 115.89 1sg0 h GLU 193 Ca -0.00 -0.12 -0.35 0.00 -1.00 0.00 0.00 59.36 57.89 1sg0 h GLU 193 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sg0 h GLU 193 CO 0.01 0.62 -1.76 0.82 -1.00 0.00 0.00 179.01 177.70 1sg0 h ILE 194 N 0.23 0.91 -3.87 3.13 2.04 -1.75 -3.47 117.51 114.73 1sg0 h ILE 194 Ca 0.02 -2.52 -0.52 0.00 1.00 0.00 0.00 64.86 62.84 1sg0 h ILE 194 Cb 0.78 2.73 0.21 0.00 -0.74 0.00 0.00 36.82 39.80 1sg0 h ILE 194 CO 0.06 0.86 -0.13 0.00 0.00 0.00 0.00 178.15 178.94 1sg0 n ALA 195 N -2.86 -1.64 -1.95 1.87 0.00 -0.52 -5.01 120.51 110.39 1sg0 n ALA 195 Ca -0.25 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 1sg0 n ALA 195 Cb 1.07 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 18.57 1sg0 n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sg0 s SER 196 N -2.37 4.81 0.20 0.00 1.04 -1.26 -4.83 113.70 111.29 1sg0 s SER 196 Ca 0.63 0.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.17 1sg0 s SER 196 Cb -0.22 -0.87 0.23 0.00 0.10 0.00 0.00 66.02 65.26 1sg0 s SER 196 CO 0.62 -1.56 1.78 -0.33 0.98 0.00 0.00 173.24 174.73 1sg0 h GLU 197 N -0.45 0.52 -0.92 4.02 4.39 -1.95 0.21 114.58 120.40 1sg0 h GLU 197 Ca -0.43 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.27 1sg0 h GLU 197 Cb 1.30 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 1sg0 h GLU 197 CO 0.55 0.34 0.60 0.93 -1.16 0.00 0.00 179.01 180.27 1sg0 h GLU 198 N 0.54 1.12 -0.28 2.33 3.07 -1.99 0.54 114.58 119.90 1sg0 h GLU 198 Ca 0.29 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.91 1sg0 h GLU 198 Cb 0.25 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1sg0 h GLU 198 CO -0.22 0.74 -0.49 0.93 -1.40 0.00 0.00 179.01 178.57 1sg0 h GLU 199 N 1.16 0.83 -0.18 2.33 5.08 -1.64 -1.76 114.58 120.40 1sg0 h GLU 199 Ca 0.37 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1sg0 h GLU 199 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sg0 h GLU 199 CO -0.12 1.15 0.10 0.00 -1.00 0.00 0.00 179.01 179.14 1sg0 h ARG 200 N 0.60 0.25 -0.50 2.33 3.08 -0.16 0.20 114.38 120.18 1sg0 h ARG 200 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sg0 h ARG 200 Cb 1.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1sg0 h ARG 200 CO 0.11 0.24 0.32 0.87 -1.07 0.00 0.00 179.97 180.44 1sg0 h LYS 201 N 0.20 0.67 -0.33 0.04 1.79 -0.90 -1.49 116.57 116.55 1sg0 h LYS 201 Ca 0.06 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1sg0 h LYS 201 Cb 0.06 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1sg0 h LYS 201 CO -0.01 0.46 0.00 0.78 -1.08 0.00 0.00 179.45 179.60 1sg0 h GLY 202 N 0.70 0.63 1.03 3.86 0.00 -0.51 -1.11 103.07 107.68 1sg0 h GLY 202 Ca 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1sg0 h GLY 202 CO -0.04 0.42 0.40 -0.33 0.00 0.00 0.00 176.54 177.00 1sg0 h MET 203 N 0.39 1.20 -0.29 4.80 2.86 -0.26 -0.09 114.93 123.53 1sg0 h MET 203 Ca 0.09 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1sg0 h MET 203 Cb 0.44 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1sg0 h MET 203 CO 0.02 0.92 -0.39 -0.39 1.06 0.00 0.00 176.91 178.13 1sg0 h VAL 204 N 1.18 1.29 -0.61 -2.22 -1.51 -1.22 -2.66 116.25 110.50 1sg0 h VAL 204 Ca 0.29 -1.55 -0.08 0.00 -1.23 0.00 0.00 66.70 64.13 1sg0 h VAL 204 Cb 0.12 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 1sg0 h VAL 204 CO -0.04 0.50 0.08 0.00 -1.23 0.00 0.00 177.57 176.88 1sg0 h ALA 205 N 1.00 0.81 -0.56 5.19 0.00 -0.72 -1.19 119.26 123.79 1sg0 h ALA 205 Ca 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sg0 h ALA 205 Cb 0.91 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sg0 h ALA 205 CO 0.08 0.58 0.23 0.00 0.00 0.00 0.00 179.25 180.14 1sg0 h ALA 206 N 1.01 1.35 0.12 0.00 0.00 -0.92 0.10 119.26 120.92 1sg0 h ALA 206 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sg0 h ALA 206 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sg0 h ALA 206 CO 0.02 0.49 -0.06 2.35 0.00 0.00 0.00 179.25 182.05 1sg0 h TRP 207 N 0.80 -0.15 -0.53 0.00 -0.00 -1.11 0.68 115.95 115.64 1sg0 h TRP 207 Ca 0.19 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.09 1sg0 h TRP 207 Cb 0.15 0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.33 1sg0 h TRP 207 CO 0.01 0.17 0.33 0.66 -0.00 0.00 0.00 178.44 179.61 1sg0 h SER 208 N -0.48 0.56 -0.75 2.65 4.64 -0.95 -1.24 113.55 117.99 1sg0 h SER 208 Ca -0.02 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1sg0 h SER 208 Cb 0.39 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1sg0 h SER 208 CO 0.03 0.40 0.23 1.56 -0.87 0.00 0.00 176.83 178.17 1sg0 h GLN 209 N 0.67 1.17 -0.76 4.77 4.20 -0.77 -2.36 115.11 122.03 1sg0 h GLN 209 Ca 0.20 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1sg0 h GLN 209 Cb -0.03 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1sg0 h GLN 209 CO -0.07 0.99 0.39 -0.09 -0.67 0.00 0.00 178.83 179.39 1sg0 h ARG 210 N 1.11 1.07 0.00 1.46 2.43 -0.38 -1.72 114.38 118.35 1sg0 h ARG 210 Ca 0.24 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1sg0 h ARG 210 Cb 0.32 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1sg0 h ARG 210 CO -0.01 0.80 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.15 1sg0 h LEU 211 N 1.07 0.00 -1.45 3.80 3.38 -0.70 -2.13 115.31 119.27 1sg0 h LEU 211 Ca 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1sg0 h LEU 211 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1sg0 h LEU 211 CO -0.04 0.03 -0.11 1.56 0.09 0.00 0.00 178.44 179.97 1sg0 h GLN 212 N 0.00 0.22 0.00 1.13 4.20 -1.11 -3.15 115.11 116.40 1sg0 h GLN 212 Ca -0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1sg0 h GLN 212 Cb 0.14 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1sg0 h GLN 212 CO 0.00 0.34 -0.47 0.25 -0.67 0.00 0.00 178.83 178.28 1sg0 n THR 213 N -4.30 1.93 0.24 -0.54 -2.24 -0.83 -4.80 114.28 103.74 1sg0 n THR 213 Ca -0.01 -2.85 0.07 0.00 -2.27 0.00 0.00 64.05 59.00 1sg0 n THR 213 Cb 0.25 -0.12 0.58 0.00 -2.10 0.00 0.00 70.33 68.94 1sg0 n THR 213 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1sg0 h ILE 214 N 1.49 1.01 0.00 2.28 3.07 -1.44 -2.25 117.51 121.66 1sg0 h ILE 214 Ca -0.02 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1sg0 h ILE 214 Cb 1.09 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 1sg0 h ILE 214 CO 0.01 0.13 0.00 0.79 -1.05 0.00 0.00 178.15 178.03 1sg0 n TRP 215 N -4.26 0.00 0.84 0.16 7.02 -1.26 -2.72 117.44 117.22 1sg0 n TRP 215 Ca -0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.55 1sg0 n TRP 215 Cb 0.21 -0.12 -0.02 0.00 -2.42 0.00 0.00 31.31 28.95 1sg0 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sg0 n LYS 216 N -1.12 1.42 -2.50 -0.99 4.01 -0.85 -4.99 118.16 113.13 1sg0 n LYS 216 Ca 0.19 -0.75 -0.35 0.00 -0.51 0.00 0.00 58.31 56.89 1sg0 n LYS 216 Cb 0.16 -1.36 -0.03 0.00 -0.51 0.00 0.00 35.03 33.29 1sg0 n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1sg0 s GLU 217 N -2.24 3.90 -0.05 1.97 2.02 -1.10 -5.06 118.70 118.14 1sg0 s GLU 217 Ca 0.14 1.47 -0.01 0.00 0.02 0.00 0.00 54.97 56.59 1sg0 s GLU 217 Cb 0.15 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1sg0 s GLU 217 CO 0.52 -0.36 0.03 -1.21 0.02 0.00 0.00 175.26 174.26 1sg0 s GLU 218 N -2.92 2.98 0.70 1.61 2.02 -1.26 -5.09 118.70 116.74 1sg0 s GLU 218 Ca 0.64 -0.46 -0.16 0.00 0.02 0.00 0.00 54.97 55.01 1sg0 s GLU 218 Cb -0.20 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.25 1sg0 s GLU 218 CO 0.24 0.68 1.21 -2.14 0.02 0.00 0.00 175.26 175.27 1sg0 s PRO 219 N -1.26 2.33 0.62 0.39 0.02 -1.26 -4.73 135.00 131.10 1sg0 s PRO 219 Ca 0.17 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 1sg0 s PRO 219 Cb -0.12 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1sg0 s PRO 219 CO 0.07 -1.69 1.03 0.96 -0.33 0.00 0.00 177.00 177.04 1sg0 s ILE 220 N -1.90 4.67 -0.95 2.83 -4.36 0.35 -4.95 121.20 116.88 1sg0 s ILE 220 Ca 0.75 0.89 -0.22 0.00 -0.26 0.00 0.00 60.65 61.81 1sg0 s ILE 220 Cb -0.29 -3.84 0.07 0.00 1.25 0.00 0.00 42.46 39.65 1sg0 s ILE 220 CO 0.43 -1.11 1.32 -2.16 0.24 0.00 0.00 174.94 173.66 1sg0 s PRO 221 N -5.11 3.53 -0.95 0.37 0.04 -1.26 -4.68 135.00 126.94 1sg0 s PRO 221 Ca 0.55 -1.21 -0.23 0.00 0.04 0.00 0.00 61.00 60.15 1sg0 s PRO 221 Cb -0.11 -5.07 -0.15 0.00 0.04 0.00 0.00 34.50 29.21 1sg0 s PRO 221 CO 0.53 -2.06 1.92 0.00 0.04 0.00 0.00 177.00 177.43 1sg0 s THR 223 N 9.24 1.66 0.42 0.00 -4.23 -1.26 -4.95 115.64 116.52 1sg0 s THR 223 Ca 0.66 -2.14 0.10 0.00 -1.18 0.00 0.00 61.69 59.13 1sg0 s THR 223 Cb 0.05 -2.40 0.29 0.00 1.34 0.00 0.00 72.50 71.78 1sg0 s THR 223 CO 0.15 -0.33 2.03 0.00 -0.54 0.00 0.00 174.62 175.93 1sg0 h ALA 224 N 2.31 1.83 -0.45 3.99 0.00 -1.99 -1.78 119.26 123.17 1sg0 h ALA 224 Ca -0.40 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1sg0 h ALA 224 Cb 1.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1sg0 h ALA 224 CO 0.66 0.11 0.07 1.25 0.00 0.00 0.00 179.25 181.34 1sg0 h HIS 225 N 0.48 0.79 -0.67 0.00 -0.00 -1.94 0.27 115.15 114.08 1sg0 h HIS 225 Ca 0.19 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1sg0 h HIS 225 Cb 0.16 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1sg0 h HIS 225 CO -0.00 0.75 0.41 2.35 -0.00 0.00 0.00 177.93 181.44 1sg0 h TRP 226 N 0.61 0.87 0.09 5.26 7.01 -1.57 1.02 115.95 129.25 1sg0 h TRP 226 Ca 0.14 -0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.86 1sg0 h TRP 226 Cb 0.39 -0.29 0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1sg0 h TRP 226 CO 0.03 0.59 -1.17 0.45 -2.79 0.00 0.00 178.44 175.54 1sg0 h HIS 227 N 0.90 0.78 0.00 2.65 3.86 -1.28 -3.41 115.15 118.65 1sg0 h HIS 227 Ca 0.24 -0.49 -0.01 0.00 -1.16 0.00 0.00 60.37 58.95 1sg0 h HIS 227 Cb -0.03 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 1sg0 h HIS 227 CO -0.02 1.34 -1.04 1.19 0.86 0.00 0.00 177.93 180.27 1sg0 n PHE 228 N -3.71 0.00 -0.10 2.45 3.72 0.92 -4.30 117.46 116.44 1sg0 n PHE 228 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1sg0 n PHE 228 Cb 0.96 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 1sg0 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sg0 n GLY 229 N 2.77 -3.19 0.00 1.37 0.00 0.35 -4.99 105.19 101.50 1sg0 n GLY 229 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1sg0 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14