#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ids n GLU 3 N 0.00 0.30 -2.80 0.00 1.02 -1.26 -4.95 120.64 112.96 1ids n GLU 3 Ca 0.00 0.15 -0.38 0.00 -0.02 0.00 0.00 57.16 56.91 1ids n GLU 3 Cb 0.00 -2.02 -0.06 0.00 -0.02 0.00 0.00 31.44 29.34 1ids n GLU 3 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ids s TYR 4 N -1.94 3.79 0.09 -0.32 2.02 -1.26 -5.05 117.35 114.68 1ids s TYR 4 Ca 0.68 1.79 0.05 0.00 -0.37 0.00 0.00 57.07 59.22 1ids s TYR 4 Cb -0.33 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.29 1ids s TYR 4 CO 0.56 0.31 -0.13 0.95 -1.57 0.00 0.00 175.55 175.67 1ids s THR 5 N -1.45 1.09 -0.30 -0.71 -4.23 -1.26 -4.92 115.64 103.86 1ids s THR 5 Ca 0.46 -1.46 -0.29 0.00 -1.18 0.00 0.00 61.69 59.22 1ids s THR 5 Cb -0.21 -1.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 1ids s THR 5 CO 0.26 -0.35 1.36 -0.22 -0.54 0.00 0.00 174.62 175.13 1ids s LEU 6 N -2.04 3.86 0.46 4.79 2.96 -1.26 -4.98 118.68 122.46 1ids s LEU 6 Ca 0.02 1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.93 1ids s LEU 6 Cb -0.07 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1ids s LEU 6 CO 0.02 -1.14 1.15 -2.16 -1.32 0.00 0.00 176.35 172.90 1ids s PRO 7 N 4.31 3.79 0.55 0.98 0.04 -1.26 -5.00 135.00 138.41 1ids s PRO 7 Ca 0.59 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1ids s PRO 7 Cb -0.18 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.90 1ids s PRO 7 CO 0.25 -0.52 1.06 -0.51 0.04 0.00 0.00 177.00 177.32 1ids s ASP 8 N -1.39 5.96 0.55 6.66 1.01 -1.26 -5.02 116.67 123.17 1ids s ASP 8 Ca 0.63 1.90 -0.15 0.00 0.71 0.00 0.00 52.55 55.65 1ids s ASP 8 Cb -0.28 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.04 1ids s ASP 8 CO 0.34 -1.05 1.00 -0.76 0.21 0.00 0.00 175.17 174.91 1ids s LEU 9 N -4.06 3.51 0.00 1.23 1.43 -1.26 -4.96 118.68 114.57 1ids s LEU 9 Ca 0.66 1.53 0.26 0.00 -1.03 0.00 0.00 54.13 55.55 1ids s LEU 9 Cb -0.17 -4.50 0.69 0.00 0.03 0.00 0.00 46.19 42.24 1ids s LEU 9 CO 0.30 -0.68 1.53 0.47 0.23 0.00 0.00 176.35 178.19 1ids n ASP 10 N -1.93 1.05 -4.10 2.29 8.00 -1.26 -4.94 116.55 115.66 1ids n ASP 10 Ca 0.06 -0.89 -0.10 0.00 0.71 0.00 0.00 54.79 54.58 1ids n ASP 10 Cb 0.54 0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.71 1ids n ASP 10 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1ids s TRP 11 N -2.53 0.77 0.74 1.24 1.48 -1.26 -5.14 118.94 114.24 1ids s TRP 11 Ca 0.23 -1.12 -0.11 0.00 -1.06 0.00 0.00 56.10 54.04 1ids s TRP 11 Cb 0.19 -0.37 0.04 0.00 -1.16 0.00 0.00 33.47 32.17 1ids s TRP 11 CO 0.53 -0.59 1.08 0.34 -4.06 0.00 0.00 176.95 174.26 1ids s ASP 12 N -3.04 4.79 0.31 -2.66 -1.08 -1.26 -4.91 116.67 108.82 1ids s ASP 12 Ca 0.24 1.78 0.07 0.00 -0.52 0.00 0.00 52.55 54.12 1ids s ASP 12 Cb 0.06 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.77 1ids s ASP 12 CO 0.02 -1.85 1.78 1.88 0.52 0.00 0.00 175.17 177.53 1ids h TYR 13 N -0.92 1.03 -0.57 -5.34 0.05 -1.97 -2.26 116.97 106.99 1ids h TYR 13 Ca -0.44 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.28 1ids h TYR 13 Cb 1.23 -0.31 -0.06 0.00 1.01 0.00 0.00 36.73 38.60 1ids h TYR 13 CO 0.59 0.23 0.12 0.41 -1.05 0.00 0.00 178.16 178.46 1ids n GLY 14 N -1.34 3.07 0.21 3.88 0.00 -1.26 -3.97 105.19 105.78 1ids n GLY 14 Ca 0.23 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.50 1ids n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ids h ALA 15 N 3.16 1.21 -0.02 4.61 0.00 -1.74 -3.09 119.26 123.38 1ids h ALA 15 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ids h ALA 15 Cb 1.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ids h ALA 15 CO 0.54 0.36 -0.08 1.28 0.00 0.00 0.00 179.25 181.35 1ids n LEU 16 N -3.73 1.77 -4.72 0.00 4.77 -1.26 -4.56 117.00 109.27 1ids n LEU 16 Ca -0.01 -0.58 -0.36 0.00 -0.03 0.00 0.00 56.01 55.03 1ids n LEU 16 Cb 0.39 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1ids n LEU 16 CO 0.35 0.30 0.85 -1.61 -1.33 0.00 0.00 177.39 175.96 1ids s GLU 17 N -2.12 2.25 0.00 3.23 2.02 -1.13 -2.40 118.70 120.55 1ids s GLU 17 Ca 0.32 1.94 0.21 0.00 0.02 0.00 0.00 54.97 57.46 1ids s GLU 17 Cb 0.20 -1.82 0.63 0.00 0.10 0.00 0.00 34.13 33.24 1ids s GLU 17 CO 0.37 -1.80 1.49 -0.35 0.02 0.00 0.00 175.26 174.99 1ids n PRO 18 N -2.39 1.95 -0.16 0.39 -0.04 -1.26 -4.84 135.00 128.64 1ids n PRO 18 Ca 0.15 -1.44 -0.08 0.00 -0.04 0.00 0.00 63.50 62.09 1ids n PRO 18 Cb 0.49 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1ids n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ids h HIS 19 N 2.85 0.67 -3.25 0.54 3.86 -1.84 -3.41 115.15 114.57 1ids h HIS 19 Ca 0.00 -0.03 -0.50 0.00 -1.16 0.00 0.00 60.37 58.69 1ids h HIS 19 Cb 0.63 -0.21 -0.38 0.00 1.06 0.00 0.00 27.41 28.51 1ids h HIS 19 CO 0.15 0.52 -0.78 0.42 0.86 0.00 0.00 177.93 179.10 1ids s ILE 20 N -5.77 0.72 0.40 2.45 1.01 -1.11 -4.87 121.20 114.04 1ids s ILE 20 Ca -0.13 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 1ids s ILE 20 Cb 0.11 -0.90 -0.09 0.00 0.01 0.00 0.00 42.46 41.59 1ids s ILE 20 CO 0.75 0.19 1.35 -0.94 0.00 0.00 0.00 174.94 176.29 1ids s SER 21 N 1.81 6.28 0.45 3.58 1.04 -1.26 -2.83 113.70 122.77 1ids s SER 21 Ca 0.03 2.76 0.18 0.00 0.48 0.00 0.00 55.95 59.40 1ids s SER 21 Cb -0.14 -2.65 1.07 0.00 0.10 0.00 0.00 66.02 64.40 1ids s SER 21 CO -0.07 -0.88 1.97 1.23 0.98 0.00 0.00 173.24 176.47 1ids h GLY 22 N 2.72 0.00 0.97 7.32 0.00 -1.88 -2.08 103.07 110.13 1ids h GLY 22 Ca -0.50 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1ids h GLY 22 CO 0.63 0.00 0.19 -1.61 0.00 0.00 0.00 176.54 175.75 1ids h GLN 23 N 0.00 0.78 -0.29 4.80 4.15 -1.91 0.12 115.11 122.75 1ids h GLN 23 Ca -0.00 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 1ids h GLN 23 Cb 0.42 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1ids h GLN 23 CO 0.03 0.70 -0.22 0.82 -1.93 0.00 0.00 178.83 178.23 1ids h ILE 24 N 0.70 1.30 -0.77 2.39 2.04 -1.78 -2.81 117.51 118.57 1ids h ILE 24 Ca 0.17 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1ids h ILE 24 Cb 0.22 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1ids h ILE 24 CO -0.01 0.43 0.44 0.78 0.00 0.00 0.00 178.15 179.80 1ids h ASN 25 N 0.41 0.95 0.17 1.72 2.35 -1.16 0.23 115.58 120.26 1ids h ASN 25 Ca 0.06 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1ids h ASN 25 Cb 0.77 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ids h ASN 25 CO 0.06 0.76 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.43 1ids h GLU 26 N 1.07 -0.22 -0.25 0.81 4.81 -0.92 -0.89 114.58 118.99 1ids h GLU 26 Ca 0.28 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1ids h GLU 26 Cb 0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ids h GLU 26 CO -0.05 -0.05 0.11 -0.07 -0.73 0.00 0.00 179.01 178.22 1ids h LEU 27 N -0.36 0.33 -0.29 1.64 3.38 -1.40 -0.90 115.31 117.71 1ids h LEU 27 Ca -0.02 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1ids h LEU 27 Cb 0.28 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1ids h LEU 27 CO 0.04 0.39 -0.02 -0.74 0.09 0.00 0.00 178.44 178.20 1ids h HIS 28 N 0.26 -0.05 0.26 1.13 2.76 -0.48 0.26 115.15 119.29 1ids h HIS 28 Ca 0.08 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1ids h HIS 28 Cb 0.15 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1ids h HIS 28 CO -0.01 -0.07 -0.13 1.25 -1.30 0.00 0.00 177.93 177.67 1ids h HIS 29 N 0.06 -0.33 0.00 5.26 -0.00 -1.11 -1.35 115.15 117.68 1ids h HIS 29 Ca 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1ids h HIS 29 Cb 0.19 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1ids h HIS 29 CO -0.23 -0.20 0.00 0.66 -0.00 0.00 0.00 177.93 178.15 1ids h SER 30 N -0.93 0.00 0.00 3.26 4.64 -1.23 -2.99 113.55 116.30 1ids h SER 30 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ids h SER 30 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ids h SER 30 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1ids n LYS 31 N -2.95 0.00 0.26 4.77 4.76 0.07 -4.60 118.16 120.46 1ids n LYS 31 Ca 0.01 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.28 1ids n LYS 31 Cb 0.30 -0.18 -0.09 0.00 -1.84 0.00 0.00 35.03 33.23 1ids n LYS 31 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ids h HIS 32 N 0.00 -1.20 -0.45 2.13 3.86 -1.53 -2.00 115.15 115.96 1ids h HIS 32 Ca 0.00 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1ids h HIS 32 Cb 0.00 0.47 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1ids h HIS 32 CO 0.00 -0.60 0.13 1.25 0.86 0.00 0.00 177.93 179.58 1ids h HIS 33 N -0.88 0.73 -0.08 2.45 -0.00 -1.32 -2.64 115.15 113.42 1ids h HIS 33 Ca -0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.23 1ids h HIS 33 Cb 0.78 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1ids h HIS 33 CO -0.24 0.66 -0.06 0.00 -0.00 0.00 0.00 177.93 178.30 1ids h ALA 34 N 0.99 1.76 -0.28 5.26 0.00 -1.52 -1.70 119.26 123.77 1ids h ALA 34 Ca 0.14 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ids h ALA 34 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ids h ALA 34 CO -0.00 0.18 -0.29 1.15 0.00 0.00 0.00 179.25 180.29 1ids h THR 35 N 0.11 1.28 -0.26 0.00 2.02 -1.01 -2.53 112.91 112.52 1ids h THR 35 Ca 0.03 -1.37 -0.18 0.00 0.77 0.00 0.00 66.41 65.66 1ids h THR 35 Cb 0.19 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1ids h THR 35 CO 0.01 0.44 -0.56 1.88 0.37 0.00 0.00 175.52 177.66 1ids h TYR 36 N 0.49 0.99 -0.46 3.16 0.05 -1.07 -2.04 116.97 118.09 1ids h TYR 36 Ca 0.06 -0.36 -0.00 0.00 0.05 0.00 0.00 58.73 58.49 1ids h TYR 36 Cb 0.75 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1ids h TYR 36 CO 0.03 1.16 0.29 0.28 -1.05 0.00 0.00 178.16 178.87 1ids h VAL 37 N 0.60 1.14 -0.15 -2.88 2.07 -1.37 0.23 116.25 115.89 1ids h VAL 37 Ca 0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ids h VAL 37 Cb 1.15 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1ids h VAL 37 CO 0.12 0.14 0.07 0.50 0.02 0.00 0.00 177.57 178.41 1ids h LYS 38 N 0.61 0.22 -0.99 1.57 1.63 -1.43 -2.11 116.57 116.07 1ids h LYS 38 Ca 0.17 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1ids h LYS 38 Cb -0.03 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.52 1ids h LYS 38 CO -0.03 0.28 0.63 0.78 -3.45 0.00 0.00 179.45 177.66 1ids h GLY 39 N 0.10 1.40 1.12 5.01 0.00 -1.03 -0.68 103.07 109.00 1ids h GLY 39 Ca 0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1ids h GLY 39 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 176.54 177.07 1ids h ALA 40 N 1.35 0.87 -0.39 3.60 0.00 -0.28 -0.66 119.26 123.75 1ids h ALA 40 Ca 0.36 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1ids h ALA 40 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1ids h ALA 40 CO -0.07 0.66 -0.36 -0.91 0.00 0.00 0.00 179.25 178.57 1ids h ASN 41 N 0.96 1.00 -0.52 0.00 2.35 -1.05 -2.60 115.58 115.72 1ids h ASN 41 Ca 0.17 -0.46 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 1ids h ASN 41 Cb 0.55 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1ids h ASN 41 CO 0.03 1.25 -0.10 0.44 -1.65 0.00 0.00 177.43 177.39 1ids h ASP 42 N 0.76 1.00 -0.72 5.81 5.19 -0.98 -1.92 116.42 125.55 1ids h ASP 42 Ca 0.07 -0.32 -0.07 0.00 -0.62 0.00 0.00 57.03 56.09 1ids h ASP 42 Cb 0.96 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 1ids h ASP 42 CO 0.09 1.11 0.20 0.00 -3.12 0.00 0.00 179.24 177.52 1ids h ALA 43 N 0.98 0.98 -0.24 3.45 0.00 -1.06 -0.76 119.26 122.61 1ids h ALA 43 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ids h ALA 43 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ids h ALA 43 CO 0.05 0.67 -0.26 0.28 0.00 0.00 0.00 179.25 179.98 1ids h VAL 44 N 1.09 1.27 -0.27 0.00 2.07 -1.31 -2.51 116.25 116.58 1ids h VAL 44 Ca 0.23 -1.29 -0.19 0.00 0.82 0.00 0.00 66.70 66.27 1ids h VAL 44 Cb 0.35 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1ids h VAL 44 CO -0.00 0.41 -0.58 0.00 0.02 0.00 0.00 177.57 177.41 1ids h ALA 45 N 1.31 0.44 -0.18 1.67 0.00 -0.88 -2.44 119.26 119.18 1ids h ALA 45 Ca 0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1ids h ALA 45 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ids h ALA 45 CO 0.05 0.68 -0.27 0.87 0.00 0.00 0.00 179.25 180.58 1ids h LYS 46 N 0.66 0.34 -0.33 0.00 1.79 -1.04 -2.24 116.57 115.75 1ids h LYS 46 Ca 0.00 -0.13 -0.17 0.00 -2.18 0.00 0.00 60.65 58.18 1ids h LYS 46 Cb 1.20 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1ids h LYS 46 CO 0.13 0.59 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.55 1ids h LEU 47 N 0.31 0.96 -0.37 2.94 3.38 -1.39 -1.20 115.31 119.93 1ids h LEU 47 Ca 0.05 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1ids h LEU 47 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ids h LEU 47 CO 0.05 1.27 0.22 -0.33 0.09 0.00 0.00 178.44 179.74 1ids h GLU 48 N 0.70 0.50 -0.30 1.13 5.08 -1.10 -1.47 114.58 119.11 1ids h GLU 48 Ca 0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ids h GLU 48 Cb 1.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1ids h GLU 48 CO 0.11 0.37 0.18 1.49 -1.00 0.00 0.00 179.01 180.16 1ids h GLU 49 N 0.48 0.42 -0.57 2.33 4.81 -1.36 -1.81 114.58 118.87 1ids h GLU 49 Ca 0.13 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1ids h GLU 49 Cb 0.00 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1ids h GLU 49 CO -0.02 0.34 0.37 0.00 -0.73 0.00 0.00 179.01 178.96 1ids h ALA 50 N 1.06 0.74 -0.14 2.92 0.00 -0.98 -0.66 119.26 122.18 1ids h ALA 50 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ids h ALA 50 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ids h ALA 50 CO -0.02 0.12 -0.33 0.00 0.00 0.00 0.00 179.25 179.02 1ids h ARG 51 N 0.73 0.28 -0.13 0.00 3.08 -1.13 -0.10 114.38 117.12 1ids h ARG 51 Ca 0.22 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 1ids h ARG 51 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1ids h ARG 51 CO -0.07 0.58 -0.72 0.00 -1.07 0.00 0.00 179.97 178.69 1ids h ALA 52 N 1.41 0.49 -0.00 0.04 0.00 -0.74 -3.07 119.26 117.39 1ids h ALA 52 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ids h ALA 52 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ids h ALA 52 CO 0.05 0.72 -0.31 1.63 0.00 0.00 0.00 179.25 181.35 1ids n LYS 53 N -3.90 0.18 -3.69 0.00 5.02 -0.31 -4.94 118.16 110.53 1ids n LYS 53 Ca -0.05 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.89 1ids n LYS 53 Cb 0.71 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.28 1ids n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ids n GLU 54 N -1.33 -7.29 -3.83 1.97 1.02 -0.16 -4.96 120.64 106.05 1ids n GLU 54 Ca 0.08 0.76 -0.30 0.00 -0.02 0.00 0.00 57.16 57.68 1ids n GLU 54 Cb 0.33 -5.78 -0.15 0.00 -0.02 0.00 0.00 31.44 25.82 1ids n GLU 54 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ids s ASP 55 N -3.32 3.97 -0.37 1.62 2.15 -0.54 -4.99 116.67 115.19 1ids s ASP 55 Ca 0.61 -1.51 0.06 0.00 0.43 0.00 0.00 52.55 52.14 1ids s ASP 55 Cb -0.28 -1.04 0.47 0.00 -0.30 0.00 0.00 42.92 41.77 1ids s ASP 55 CO 0.76 -0.35 1.43 1.41 -0.17 0.00 0.00 175.17 178.25 1ids n HIS 56 N 4.73 2.38 0.27 -5.34 8.25 -1.26 -4.61 115.22 119.64 1ids n HIS 56 Ca -0.04 -2.24 0.16 0.00 -0.26 0.00 0.00 57.72 55.34 1ids n HIS 56 Cb 0.43 -0.61 0.70 0.00 1.12 0.00 0.00 29.99 31.64 1ids n HIS 56 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ids h SER 57 N 1.84 0.00 -0.22 0.41 4.64 -1.97 -2.89 113.55 115.36 1ids h SER 57 Ca 0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.60 1ids h SER 57 Cb 1.38 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.42 1ids h SER 57 CO 0.83 0.05 -0.16 0.00 -0.87 0.00 0.00 176.83 176.68 1ids n ALA 58 N -2.13 3.77 -0.22 5.18 0.00 -1.26 -4.78 120.51 121.07 1ids n ALA 58 Ca -0.00 -3.02 0.01 0.00 0.00 0.00 0.00 53.44 50.43 1ids n ALA 58 Cb 0.30 -0.61 0.12 0.00 0.00 0.00 0.00 19.45 19.27 1ids n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1ids h ILE 59 N 1.00 0.78 -0.30 0.00 6.09 -1.86 -1.31 117.51 121.90 1ids h ILE 59 Ca 0.12 -0.16 0.03 0.00 -1.37 0.00 0.00 64.86 63.48 1ids h ILE 59 Cb 1.41 0.28 -0.03 0.00 0.47 0.00 0.00 36.82 38.94 1ids h ILE 59 CO 0.23 0.08 0.12 0.25 -3.07 0.00 0.00 178.15 175.76 1ids h LEU 60 N 0.46 0.14 -0.38 2.19 6.46 -1.87 0.28 115.31 122.60 1ids h LEU 60 Ca 0.33 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.09 1ids h LEU 60 Cb 0.40 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1ids h LEU 60 CO -0.30 0.12 0.13 0.25 -0.62 0.00 0.00 178.44 178.01 1ids h LEU 61 N 0.26 0.54 -0.74 2.25 5.85 -1.84 -1.74 115.31 119.89 1ids h LEU 61 Ca 0.13 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1ids h LEU 61 Cb 0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1ids h LEU 61 CO -0.13 0.59 0.26 0.78 -0.34 0.00 0.00 178.44 179.61 1ids h ASN 62 N 0.46 1.05 0.28 1.25 -0.26 -0.94 -0.54 115.58 116.88 1ids h ASN 62 Ca 0.12 -0.19 -0.14 0.00 -0.56 0.00 0.00 56.30 55.53 1ids h ASN 62 Cb 0.24 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1ids h ASN 62 CO -0.01 0.96 -0.54 -0.33 -1.06 0.00 0.00 177.43 176.45 1ids h GLU 63 N 1.08 0.28 -0.06 0.81 4.39 -0.86 -1.34 114.58 118.89 1ids h GLU 63 Ca 0.24 -0.17 -0.22 0.00 0.34 0.00 0.00 59.36 59.55 1ids h GLU 63 Cb 0.26 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1ids h GLU 63 CO -0.01 0.75 -0.81 -0.22 -1.16 0.00 0.00 179.01 177.55 1ids h LYS 64 N 0.22 0.65 -0.29 2.33 3.64 -1.01 -1.87 116.57 120.24 1ids h LYS 64 Ca 0.00 -0.63 -0.08 0.00 -1.27 0.00 0.00 60.65 58.67 1ids h LYS 64 Cb 1.02 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1ids h LYS 64 CO 0.09 1.23 -0.17 -0.91 -2.27 0.00 0.00 179.45 177.42 1ids h ASN 65 N 0.30 0.52 -0.02 4.20 2.35 -1.06 0.36 115.58 122.24 1ids h ASN 65 Ca -0.09 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1ids h ASN 65 Cb 1.47 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 1ids h ASN 65 CO 0.16 0.70 -0.01 0.25 -1.65 0.00 0.00 177.43 176.89 1ids h LEU 66 N 0.48 0.04 -0.31 1.61 5.85 -1.23 -2.51 115.31 119.23 1ids h LEU 66 Ca 0.08 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1ids h LEU 66 Cb 0.57 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1ids h LEU 66 CO 0.04 0.50 0.04 0.00 -0.34 0.00 0.00 178.44 178.68 1ids h ALA 67 N 0.54 0.42 0.19 1.25 0.00 -1.18 -0.69 119.26 119.80 1ids h ALA 67 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ids h ALA 67 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ids h ALA 67 CO 0.00 0.13 -0.09 0.35 0.00 0.00 0.00 179.25 179.64 1ids h PHE 68 N 0.35 -0.24 -0.19 0.00 3.57 -1.01 -2.07 116.94 117.35 1ids h PHE 68 Ca 0.09 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 1ids h PHE 68 Cb 0.36 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1ids h PHE 68 CO 0.03 -0.09 -0.53 -0.91 -2.23 0.00 0.00 178.31 174.57 1ids h ASN 69 N -0.33 0.80 -0.27 0.41 2.35 -1.49 -1.96 115.58 115.09 1ids h ASN 69 Ca -0.03 -0.58 -0.09 0.00 -0.55 0.00 0.00 56.30 55.05 1ids h ASN 69 Cb 0.25 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1ids h ASN 69 CO 0.04 1.24 -0.14 0.25 -1.65 0.00 0.00 177.43 177.17 1ids h LEU 70 N 0.40 0.69 -0.42 1.61 5.85 -1.18 0.11 115.31 122.36 1ids h LEU 70 Ca -0.01 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1ids h LEU 70 Cb 1.15 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ids h LEU 70 CO 0.11 0.85 -0.18 0.00 -0.34 0.00 0.00 178.44 178.88 1ids h ALA 71 N 1.21 0.59 -0.29 1.25 0.00 -1.40 0.26 119.26 120.89 1ids h ALA 71 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ids h ALA 71 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ids h ALA 71 CO 0.04 0.54 0.16 0.78 0.00 0.00 0.00 179.25 180.77 1ids h GLY 72 N 0.69 0.43 0.90 0.00 0.00 -1.16 0.11 103.07 104.04 1ids h GLY 72 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1ids h GLY 72 CO 0.06 0.19 0.10 0.84 0.00 0.00 0.00 176.54 177.72 1ids h HIS 73 N 0.35 0.38 -0.33 5.60 6.17 -0.75 -1.99 115.15 124.58 1ids h HIS 73 Ca 0.10 -0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.13 1ids h HIS 73 Cb 0.06 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 1ids h HIS 73 CO -0.03 0.41 0.13 0.28 0.71 0.00 0.00 177.93 179.42 1ids h VAL 74 N 0.25 1.19 -0.40 5.26 2.07 -0.25 -1.24 116.25 123.12 1ids h VAL 74 Ca 0.08 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ids h VAL 74 Cb 0.19 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1ids h VAL 74 CO -0.01 0.20 0.27 0.78 0.02 0.00 0.00 177.57 178.83 1ids h ASN 75 N 0.39 0.46 0.46 0.57 4.21 -0.73 -2.73 115.58 118.21 1ids h ASN 75 Ca 0.11 -0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.47 1ids h ASN 75 Cb 0.20 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1ids h ASN 75 CO -0.01 0.33 -0.59 0.45 -1.29 0.00 0.00 177.43 176.32 1ids h HIS 76 N 0.54 0.17 -0.53 1.19 3.86 -1.31 -2.27 115.15 116.80 1ids h HIS 76 Ca 0.15 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1ids h HIS 76 Cb -0.06 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1ids h HIS 76 CO -0.05 0.69 0.01 1.15 0.86 0.00 0.00 177.93 180.59 1ids h THR 77 N 0.10 1.25 -0.02 2.45 2.02 -0.93 -2.73 112.91 115.05 1ids h THR 77 Ca -0.01 -1.05 -0.25 0.00 0.77 0.00 0.00 66.41 65.88 1ids h THR 77 Cb 1.07 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1ids h THR 77 CO 0.09 0.38 -0.97 0.40 0.37 0.00 0.00 175.52 175.78 1ids h ILE 78 N 0.83 1.32 -0.14 3.11 2.04 -1.45 -3.28 117.51 119.94 1ids h ILE 78 Ca 0.16 -2.28 0.05 0.00 1.00 0.00 0.00 64.86 63.78 1ids h ILE 78 Cb 0.48 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.84 1ids h ILE 78 CO 0.02 0.70 -0.39 -0.25 0.00 0.00 0.00 178.15 178.23 1ids h TRP 79 N 0.35 -1.10 -0.49 1.37 2.91 -1.24 -0.27 115.95 117.48 1ids h TRP 79 Ca -0.10 0.05 0.01 0.00 1.13 0.00 0.00 58.89 59.98 1ids h TRP 79 Cb 1.61 0.50 -0.03 0.00 -0.51 0.00 0.00 29.16 30.74 1ids h TRP 79 CO 0.08 -0.45 0.33 -1.49 -1.03 0.00 0.00 178.44 175.88 1ids h TRP 80 N -0.46 0.59 0.00 2.65 -0.00 -1.60 -1.93 115.95 115.20 1ids h TRP 80 Ca 0.08 0.01 -0.09 0.00 -0.00 0.00 0.00 58.89 58.90 1ids h TRP 80 Cb 0.60 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.55 1ids h TRP 80 CO -0.46 0.36 -0.45 0.87 -0.00 0.00 0.00 178.44 178.76 1ids h LYS 81 N 0.62 0.00 0.00 0.49 1.79 -1.44 -3.25 116.57 114.79 1ids h LYS 81 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1ids h LYS 81 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1ids h LYS 81 CO -0.04 0.40 0.00 0.09 -1.08 0.00 0.00 179.45 178.82 1ids n ASN 82 N -3.19 0.30 -4.69 0.86 5.03 -0.18 -4.76 115.26 108.64 1ids n ASN 82 Ca 0.02 0.54 -0.34 0.00 0.87 0.00 0.00 54.58 55.67 1ids n ASN 82 Cb 0.70 -0.62 -0.09 0.00 -1.02 0.00 0.00 39.78 38.75 1ids n ASN 82 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ids s LEU 83 N -3.59 3.59 -0.23 3.41 1.43 -1.11 0.24 118.68 122.42 1ids s LEU 83 Ca 0.11 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 1ids s LEU 83 Cb 0.15 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.53 1ids s LEU 83 CO 0.50 0.35 0.65 -0.55 0.23 0.00 0.00 176.35 177.52 1ids s SER 84 N -1.13 -0.67 0.50 2.29 0.15 0.25 -4.69 113.70 110.41 1ids s SER 84 Ca 0.16 1.25 0.30 0.00 0.70 0.00 0.00 55.95 58.36 1ids s SER 84 Cb -0.11 1.26 1.06 0.00 -1.71 0.00 0.00 66.02 66.52 1ids s SER 84 CO 0.05 -0.26 1.87 1.55 1.20 0.00 0.00 173.24 177.65 1ids h PRO 85 N 4.93 0.00 -0.64 5.44 0.13 -1.84 -2.64 132.00 137.37 1ids h PRO 85 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.57 1ids h PRO 85 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 1ids h PRO 85 CO 0.12 0.00 0.25 0.09 -0.23 0.00 0.00 178.00 178.23 1ids n ASN 86 N -3.03 3.69 -1.10 1.44 3.02 -1.26 -4.93 115.26 113.09 1ids n ASN 86 Ca 0.02 -3.48 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 1ids n ASN 86 Cb 0.36 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1ids n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ids n GLY 87 N -0.79 1.03 4.15 7.41 0.00 -1.00 -5.03 105.19 110.97 1ids n GLY 87 Ca 0.42 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1ids n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ids n GLY 88 N 5.00 -1.70 7.00 -0.02 0.00 -0.34 -4.79 105.19 110.34 1ids n GLY 88 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1ids n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ids n ASP 89 N 0.06 0.00 -4.05 1.61 9.92 -1.26 -4.83 116.55 118.00 1ids n ASP 89 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1ids n ASP 89 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1ids n ASP 89 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ids s LYS 90 N 0.00 0.53 0.73 -1.24 1.02 -1.26 -5.02 119.74 114.50 1ids s LYS 90 Ca 0.00 -1.03 -0.11 0.00 0.02 0.00 0.00 55.97 54.85 1ids s LYS 90 Cb 0.00 0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1ids s LYS 90 CO 0.00 -0.10 1.07 -1.25 -0.92 0.00 0.00 175.35 174.16 1ids s PRO 91 N -3.20 2.60 0.16 -1.68 0.04 -1.26 -5.02 135.00 126.65 1ids s PRO 91 Ca 0.00 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1ids s PRO 91 Cb 0.03 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1ids s PRO 91 CO -0.07 -1.35 -0.04 0.95 0.04 0.00 0.00 177.00 176.53 1ids s THR 92 N -3.01 0.88 0.00 1.26 -4.23 -1.26 -4.54 115.64 104.75 1ids s THR 92 Ca 0.59 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1ids s THR 92 Cb -0.15 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1ids s THR 92 CO 0.55 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1ids n GLY 93 N -0.23 0.17 0.33 3.99 0.00 -1.26 -3.89 105.19 104.30 1ids n GLY 93 Ca -0.08 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1ids n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ids h GLU 94 N 0.00 -0.26 -0.47 1.61 5.08 -1.98 -1.93 114.58 116.63 1ids h GLU 94 Ca 0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1ids h GLU 94 Cb 0.00 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 1ids h GLU 94 CO 0.00 -0.17 0.01 1.25 -1.00 0.00 0.00 179.01 179.09 1ids h LEU 95 N -0.27 -0.19 -0.18 1.33 5.85 -1.93 0.59 115.31 120.51 1ids h LEU 95 Ca 0.16 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1ids h LEU 95 Cb 0.54 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1ids h LEU 95 CO -0.51 -0.06 0.12 0.00 -0.34 0.00 0.00 178.44 177.65 1ids h ALA 96 N 1.41 0.23 -0.44 1.25 0.00 -1.53 0.17 119.26 120.34 1ids h ALA 96 Ca 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ids h ALA 96 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ids h ALA 96 CO -0.38 -0.29 -0.05 0.00 0.00 0.00 0.00 179.25 178.52 1ids h ALA 97 N 1.06 0.60 -0.24 0.00 0.00 -0.73 -1.45 119.26 118.51 1ids h ALA 97 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ids h ALA 97 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ids h ALA 97 CO -0.01 0.44 0.13 0.00 0.00 0.00 0.00 179.25 179.81 1ids h ALA 98 N 0.88 0.31 -0.38 0.00 0.00 0.35 0.17 119.26 120.59 1ids h ALA 98 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ids h ALA 98 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ids h ALA 98 CO 0.03 -0.15 0.05 0.82 0.00 0.00 0.00 179.25 180.00 1ids h ILE 99 N 0.28 1.24 -0.65 0.00 2.04 -0.65 -2.09 117.51 117.69 1ids h ILE 99 Ca 0.09 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1ids h ILE 99 Cb 0.07 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1ids h ILE 99 CO -0.01 0.30 0.12 0.00 0.00 0.00 0.00 178.15 178.56 1ids h ALA 100 N 0.91 0.98 -0.00 1.87 0.00 -1.08 -0.67 119.26 121.26 1ids h ALA 100 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ids h ALA 100 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ids h ALA 100 CO 0.01 0.65 -0.01 -0.25 0.00 0.00 0.00 179.25 179.64 1ids n ASP 101 N -4.22 0.42 -0.00 0.00 8.00 0.57 -1.57 116.55 119.75 1ids n ASP 101 Ca 0.04 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1ids n ASP 101 Cb 0.28 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1ids n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ids n ALA 102 N -0.72 2.02 -0.28 2.24 0.00 -0.79 -4.73 120.51 118.25 1ids n ALA 102 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ids n ALA 102 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1ids n ALA 102 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ids n PHE 103 N -1.54 0.00 0.00 0.00 3.72 -0.29 -5.01 117.46 114.34 1ids n PHE 103 Ca -0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1ids n PHE 103 Cb 0.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1ids n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ids n GLY 104 N -0.05 2.65 3.53 1.37 0.00 -0.61 -4.39 105.19 107.69 1ids n GLY 104 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1ids n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ids s SER 105 N 0.00 0.53 0.11 1.61 1.04 -1.24 -4.58 113.70 111.18 1ids s SER 105 Ca 0.00 -1.30 -0.14 0.00 0.48 0.00 0.00 55.95 54.99 1ids s SER 105 Cb 0.00 0.64 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 1ids s SER 105 CO 0.00 -1.27 1.45 0.15 0.98 0.00 0.00 173.24 174.55 1ids h PHE 106 N 2.17 0.93 -0.64 5.02 3.57 -1.90 -2.55 116.94 123.53 1ids h PHE 106 Ca -0.28 -0.27 -0.06 0.00 3.53 0.00 0.00 57.97 60.89 1ids h PHE 106 Cb 1.24 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1ids h PHE 106 CO 1.12 1.03 0.17 -0.44 -2.23 0.00 0.00 178.31 177.97 1ids h ASP 107 N 0.55 0.93 0.03 0.41 3.32 -1.97 -0.13 116.42 119.58 1ids h ASP 107 Ca 0.06 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1ids h ASP 107 Cb 0.86 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1ids h ASP 107 CO 0.07 0.89 -0.27 0.11 -1.72 0.00 0.00 179.24 178.32 1ids h LYS 108 N 0.95 0.38 -0.13 3.56 1.57 -1.82 -0.96 116.57 120.12 1ids h LYS 108 Ca 0.21 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1ids h LYS 108 Cb 0.32 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ids h LYS 108 CO -0.00 0.63 -0.06 0.35 -0.57 0.00 0.00 179.45 179.79 1ids h PHE 109 N 0.34 0.30 -0.79 -1.35 3.57 -0.93 -2.84 116.94 115.24 1ids h PHE 109 Ca 0.05 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1ids h PHE 109 Cb 0.66 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1ids h PHE 109 CO 0.02 0.60 0.49 -0.09 -2.23 0.00 0.00 178.31 177.10 1ids h ARG 110 N -0.08 1.05 -0.54 1.11 2.43 -0.88 -1.11 114.38 116.37 1ids h ARG 110 Ca 0.03 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1ids h ARG 110 Cb 0.52 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1ids h ARG 110 CO 0.02 0.73 0.01 0.00 -1.51 0.00 0.00 179.97 179.22 1ids h ALA 111 N 1.27 1.01 -0.09 2.80 0.00 -1.17 -0.81 119.26 122.27 1ids h ALA 111 Ca 0.28 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1ids h ALA 111 Cb -0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ids h ALA 111 CO -0.06 0.61 -0.69 0.37 0.00 0.00 0.00 179.25 179.49 1ids h GLN 112 N 0.85 0.62 -0.73 0.00 4.15 -1.26 -1.80 115.11 116.93 1ids h GLN 112 Ca 0.16 -0.55 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 1ids h GLN 112 Cb 0.48 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 1ids h GLN 112 CO 0.02 1.17 0.44 0.35 -1.93 0.00 0.00 178.83 178.87 1ids h PHE 113 N 0.25 0.96 -0.69 3.99 3.57 -1.11 0.10 116.94 124.01 1ids h PHE 113 Ca -0.06 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1ids h PHE 113 Cb 1.34 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1ids h PHE 113 CO 0.11 0.65 0.15 1.25 -2.23 0.00 0.00 178.31 178.24 1ids h HIS 114 N 0.99 1.17 -0.16 0.41 2.76 -1.13 -0.86 115.15 118.34 1ids h HIS 114 Ca 0.26 -0.14 -0.16 0.00 -2.20 0.00 0.00 60.37 58.13 1ids h HIS 114 Cb -0.03 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.60 1ids h HIS 114 CO -0.01 0.96 -0.57 0.00 -1.30 0.00 0.00 177.93 177.01 1ids h ALA 115 N 1.10 0.70 -0.10 5.26 0.00 -0.86 -2.02 119.26 123.34 1ids h ALA 115 Ca 0.22 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1ids h ALA 115 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ids h ALA 115 CO 0.00 0.70 -0.67 0.00 0.00 0.00 0.00 179.25 179.28 1ids h ALA 116 N 0.99 0.64 -0.27 0.00 0.00 -0.71 -2.91 119.26 117.00 1ids h ALA 116 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 1ids h ALA 116 Cb 1.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ids h ALA 116 CO 0.10 0.74 -0.49 0.00 0.00 0.00 0.00 179.25 179.60 1ids h ALA 117 N 0.96 0.63 -0.01 0.00 0.00 -1.08 -3.28 119.26 116.48 1ids h ALA 117 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ids h ALA 117 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ids h ALA 117 CO 0.12 0.68 -0.19 0.25 0.00 0.00 0.00 179.25 180.11 1ids n THR 118 N -4.00 0.00 -0.62 0.00 -2.24 -0.77 -4.17 114.28 102.48 1ids n THR 118 Ca -0.03 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1ids n THR 118 Cb 0.59 0.70 0.23 0.00 -2.10 0.00 0.00 70.33 69.74 1ids n THR 118 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ids n THR 119 N -0.07 1.73 -2.08 4.28 -2.24 -1.10 -5.00 114.28 109.80 1ids n THR 119 Ca 0.14 -1.44 -0.41 0.00 -2.27 0.00 0.00 64.05 60.07 1ids n THR 119 Cb 0.40 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1ids n THR 119 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ids s VAL 120 N -1.98 2.76 -1.12 2.28 1.01 -1.26 -4.92 120.40 117.18 1ids s VAL 120 Ca 0.35 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 1ids s VAL 120 Cb 0.25 -3.44 0.28 0.00 0.00 0.00 0.00 36.38 33.48 1ids s VAL 120 CO 0.13 0.13 1.43 0.00 0.00 0.00 0.00 175.10 176.79 1ids n GLN 121 N 1.75 4.11 0.00 2.72 6.02 -1.26 -4.88 117.38 125.85 1ids n GLN 121 Ca 0.04 -4.40 0.00 0.00 -0.01 0.00 0.00 57.00 52.63 1ids n GLN 121 Cb 0.41 -2.59 0.00 0.00 1.02 0.00 0.00 30.24 29.08 1ids n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ids n GLY 122 N 1.94 0.39 3.80 1.08 0.00 -1.26 -5.06 105.19 106.08 1ids n GLY 122 Ca 0.27 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1ids n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ids s SER 123 N -4.00 6.71 0.00 1.61 0.01 -1.26 -4.93 113.70 111.85 1ids s SER 123 Ca 0.00 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.17 1ids s SER 123 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1ids s SER 123 CO 0.00 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1ids n GLY 124 N -0.05 -1.25 3.27 3.44 0.00 -1.26 -0.02 105.19 109.32 1ids n GLY 124 Ca 0.07 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1ids n GLY 124 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ids s TRP 125 N -3.00 0.44 -0.09 1.61 0.52 0.02 -0.92 118.94 117.51 1ids s TRP 125 Ca 0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 56.10 55.29 1ids s TRP 125 Cb 0.00 -0.14 -0.03 0.00 -1.15 0.00 0.00 33.47 32.15 1ids s TRP 125 CO 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 176.95 176.29 1ids s ALA 126 N -3.96 3.08 -0.08 0.98 0.00 -0.63 -1.18 121.76 119.96 1ids s ALA 126 Ca 0.16 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1ids s ALA 126 Cb 0.04 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1ids s ALA 126 CO -0.02 0.52 0.21 0.00 0.00 0.00 0.00 175.76 176.47 1ids s ALA 127 N -0.66 -0.50 -0.26 0.00 0.00 -0.36 -1.74 121.76 118.24 1ids s ALA 127 Ca 0.10 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 1ids s ALA 127 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1ids s ALA 127 CO 0.02 -0.12 0.42 -1.17 0.00 0.00 0.00 175.76 174.91 1ids s LEU 128 N 0.35 4.05 0.20 0.00 2.96 0.58 -0.26 118.68 126.56 1ids s LEU 128 Ca -0.02 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1ids s LEU 128 Cb -0.03 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1ids s LEU 128 CO -0.01 -0.20 -0.06 -0.83 -1.32 0.00 0.00 176.35 173.92 1ids s GLY 129 N 1.55 1.39 -0.24 7.98 0.00 0.13 -0.41 107.32 117.73 1ids s GLY 129 Ca 0.17 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 43.18 1ids s GLY 129 CO 0.09 -1.67 -0.01 0.86 0.00 0.00 0.00 173.10 172.38 1ids s TRP 130 N -3.30 3.01 -0.28 1.90 -0.11 0.50 -0.63 118.94 120.04 1ids s TRP 130 Ca 0.24 -0.96 -0.19 0.00 1.22 0.00 0.00 56.10 56.40 1ids s TRP 130 Cb 0.04 -2.14 -0.02 0.00 -1.50 0.00 0.00 33.47 29.85 1ids s TRP 130 CO 0.06 -0.55 0.59 0.34 -4.62 0.00 0.00 176.95 172.76 1ids s ASP 131 N 1.48 6.49 0.20 5.86 2.15 -0.58 -1.64 116.67 130.64 1ids s ASP 131 Ca 0.05 0.53 0.06 0.00 0.43 0.00 0.00 52.55 53.61 1ids s ASP 131 Cb -0.15 -2.31 0.10 0.00 -0.30 0.00 0.00 42.92 40.26 1ids s ASP 131 CO -0.02 -0.38 1.46 0.71 -0.17 0.00 0.00 175.17 176.77 1ids h THR 132 N 5.46 1.50 -0.05 1.71 1.35 -1.88 0.24 112.91 121.23 1ids h THR 132 Ca -0.27 -2.50 -0.04 0.00 -0.55 0.00 0.00 66.41 63.04 1ids h THR 132 Cb 1.13 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1ids h THR 132 CO 0.76 0.72 -0.13 0.25 -0.25 0.00 0.00 175.52 176.88 1ids h LEU 133 N 0.07 0.20 0.00 3.87 5.85 -1.94 -3.33 115.31 120.04 1ids h LEU 133 Ca -0.02 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1ids h LEU 133 Cb 1.37 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ids h LEU 133 CO 0.11 0.75 -0.94 0.61 -0.34 0.00 0.00 178.44 178.64 1ids n GLY 134 N 0.51 -1.44 3.12 3.75 0.00 -1.25 -4.99 105.19 104.88 1ids n GLY 134 Ca -0.08 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1ids n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ids n ASN 135 N -2.53 -2.06 -4.20 1.61 4.13 0.82 -5.02 115.26 108.01 1ids n ASN 135 Ca 0.01 -0.54 -0.18 0.00 1.68 0.00 0.00 54.58 55.55 1ids n ASN 135 Cb 0.52 -4.54 -0.12 0.00 -1.54 0.00 0.00 39.78 34.11 1ids n ASN 135 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ids s LYS 136 N -5.19 0.90 -0.17 3.52 1.02 -1.12 -4.98 119.74 113.71 1ids s LYS 136 Ca 0.00 -1.08 -0.20 0.00 0.02 0.00 0.00 55.97 54.71 1ids s LYS 136 Cb -0.00 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 1ids s LYS 136 CO 0.64 0.17 0.60 -0.51 -0.92 0.00 0.00 175.35 175.33 1ids s LEU 137 N -2.07 4.18 0.07 3.17 1.43 -1.26 -1.52 118.68 122.68 1ids s LEU 137 Ca 0.03 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1ids s LEU 137 Cb -0.07 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1ids s LEU 137 CO 0.02 -0.20 -0.08 -0.76 0.23 0.00 0.00 176.35 175.56 1ids s LEU 138 N 1.55 2.34 -0.13 1.79 1.43 0.20 -4.98 118.68 120.88 1ids s LEU 138 Ca 0.29 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1ids s LEU 138 Cb -0.16 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 1ids s LEU 138 CO 0.11 -0.26 0.07 -0.63 0.23 0.00 0.00 176.35 175.87 1ids s ILE 139 N -2.04 4.90 0.15 -0.59 1.01 -1.26 0.23 121.20 123.59 1ids s ILE 139 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.71 1ids s ILE 139 Cb -0.05 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1ids s ILE 139 CO -0.01 0.55 -0.20 -0.36 0.00 0.00 0.00 174.94 174.93 1ids s PHE 140 N -0.44 1.90 -0.41 3.97 0.08 0.64 -4.96 117.98 118.75 1ids s PHE 140 Ca 0.10 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1ids s PHE 140 Cb -0.12 -0.97 0.11 0.00 -0.57 0.00 0.00 43.02 41.47 1ids s PHE 140 CO 0.02 0.32 0.21 -1.14 -0.10 0.00 0.00 175.22 174.53 1ids s GLN 141 N -2.52 2.02 -0.07 0.44 0.74 -1.26 -1.23 119.66 117.78 1ids s GLN 141 Ca 0.14 -1.83 -0.30 0.00 0.05 0.00 0.00 55.36 53.42 1ids s GLN 141 Cb -0.07 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 1ids s GLN 141 CO 0.06 -1.08 1.01 0.08 -0.55 0.00 0.00 175.29 174.82 1ids s VAL 142 N 1.13 4.78 -0.07 1.34 1.01 -0.33 -4.71 120.40 123.55 1ids s VAL 142 Ca 0.08 2.02 -0.16 0.00 0.00 0.00 0.00 61.98 63.92 1ids s VAL 142 Cb -0.23 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1ids s VAL 142 CO -0.04 0.06 0.42 -0.31 0.00 0.00 0.00 175.10 175.23 1ids s TYR 143 N 1.67 3.61 0.00 5.22 2.02 -0.50 -0.80 117.35 128.57 1ids s TYR 143 Ca 0.50 0.90 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 1ids s TYR 143 Cb -0.20 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 1ids s TYR 143 CO 0.22 0.40 0.00 -0.25 -1.57 0.00 0.00 175.55 174.35 1ids n ASP 144 N 2.79 0.00 0.00 2.29 8.00 0.98 -2.85 116.55 127.75 1ids n ASP 144 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1ids n ASP 144 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1ids n ASP 144 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ids n HIS 145 N 7.78 0.00 -1.35 1.24 8.25 -1.26 -4.00 115.22 125.88 1ids n HIS 145 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1ids n HIS 145 Cb 0.00 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.31 1ids n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ids n GLN 146 N -1.14 1.80 -4.00 -0.41 0.00 -1.23 -4.77 117.38 107.63 1ids n GLN 146 Ca 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 57.00 53.87 1ids n GLN 146 Cb 0.21 -1.69 -0.11 0.00 0.00 0.00 0.00 30.24 28.65 1ids n GLN 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ids s THR 147 N -3.10 0.17 0.00 -0.39 2.01 -1.13 -4.92 115.64 108.27 1ids s THR 147 Ca 0.39 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1ids s THR 147 Cb 0.36 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.46 1ids s THR 147 CO -0.00 -0.53 0.00 -3.20 -0.69 0.00 0.00 174.62 170.20 1ids n ASN 148 N 1.45 -1.59 -3.53 3.53 5.15 -1.26 -1.41 115.26 117.59 1ids n ASN 148 Ca -0.23 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.64 1ids n ASN 148 Cb 0.56 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 1ids n ASN 148 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1ids s PHE 149 N -2.69 -0.42 0.64 1.20 -0.12 -1.26 -4.42 117.98 110.90 1ids s PHE 149 Ca 0.00 0.56 -0.05 0.00 -0.05 0.00 0.00 56.93 57.39 1ids s PHE 149 Cb 0.00 0.48 0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1ids s PHE 149 CO 0.00 -0.48 0.93 -2.14 -0.05 0.00 0.00 175.22 173.48 1ids s PRO 150 N -1.93 2.52 0.45 1.99 0.02 -1.26 -5.07 135.00 131.72 1ids s PRO 150 Ca -0.01 -0.24 -0.23 0.00 0.02 0.00 0.00 61.00 60.54 1ids s PRO 150 Cb -0.01 -2.26 -0.08 0.00 0.02 0.00 0.00 34.50 32.18 1ids s PRO 150 CO -0.01 -0.96 1.11 -0.51 -0.33 0.00 0.00 177.00 176.30 1ids s LEU 151 N -5.07 4.02 0.00 -5.54 1.43 -1.26 -3.63 118.68 108.63 1ids s LEU 151 Ca 0.57 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1ids s LEU 151 Cb -0.11 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.84 1ids s LEU 151 CO 0.44 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1ids n GLY 152 N 0.32 1.54 3.72 -3.19 0.00 -1.26 -5.03 105.19 101.28 1ids n GLY 152 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ids n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ids s ILE 153 N -2.68 3.11 -0.31 -0.61 -1.09 -1.24 -4.57 121.20 113.81 1ids s ILE 153 Ca 0.00 0.80 -0.15 0.00 -2.23 0.00 0.00 60.65 59.07 1ids s ILE 153 Cb 0.00 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1ids s ILE 153 CO 0.00 0.06 0.38 -0.69 -1.23 0.00 0.00 174.94 173.46 1ids s VAL 154 N 1.10 5.16 0.23 2.92 1.01 -0.65 -4.88 120.40 125.29 1ids s VAL 154 Ca 0.66 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1ids s VAL 154 Cb -0.39 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1ids s VAL 154 CO 0.31 0.02 1.17 -2.16 0.00 0.00 0.00 175.10 174.44 1ids s PRO 155 N 2.07 4.53 -0.07 2.72 0.04 -1.26 -0.37 135.00 142.66 1ids s PRO 155 Ca 0.14 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1ids s PRO 155 Cb -0.16 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1ids s PRO 155 CO 0.11 0.00 -0.09 1.28 0.04 0.00 0.00 177.00 178.35 1ids n LEU 156 N 1.95 1.01 -3.75 -3.56 4.77 0.46 -4.93 117.00 112.95 1ids n LEU 156 Ca 0.02 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1ids n LEU 156 Cb 0.44 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.16 1ids n LEU 156 CO 0.55 0.24 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.35 1ids s LEU 157 N -6.20 0.79 0.07 2.23 2.96 -1.15 -4.59 118.68 112.79 1ids s LEU 157 Ca -0.10 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 1ids s LEU 157 Cb 0.04 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.83 1ids s LEU 157 CO 0.14 -0.15 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.04 1ids s LEU 158 N 1.26 2.23 -0.27 -0.68 1.43 -1.26 -0.31 118.68 121.08 1ids s LEU 158 Ca -0.08 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1ids s LEU 158 Cb -0.12 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.22 1ids s LEU 158 CO -0.04 0.12 0.03 -0.22 0.23 0.00 0.00 176.35 176.46 1ids s LEU 159 N -1.53 2.56 -0.30 1.79 2.96 -0.71 -4.87 118.68 118.59 1ids s LEU 159 Ca 0.07 -1.42 -0.29 0.00 -0.22 0.00 0.00 54.13 52.28 1ids s LEU 159 Cb -0.09 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 1ids s LEU 159 CO 0.03 -0.33 1.66 -0.62 -1.32 0.00 0.00 176.35 175.77 1ids s ASP 160 N 1.47 6.17 -0.18 3.68 2.15 -1.26 -1.61 116.67 127.09 1ids s ASP 160 Ca 0.02 1.36 0.16 0.00 0.43 0.00 0.00 52.55 54.52 1ids s ASP 160 Cb -0.18 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.55 1ids s ASP 160 CO -0.13 -1.47 1.55 0.23 -0.17 0.00 0.00 175.17 175.17 1ids n MET 161 N 8.05 3.70 -2.56 4.34 2.81 -0.10 -4.86 117.12 128.50 1ids n MET 161 Ca 0.20 -2.91 -0.37 0.00 -1.81 0.00 0.00 57.70 52.80 1ids n MET 161 Cb 0.46 -1.96 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 1ids n MET 161 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1ids s TRP 162 N -2.60 3.36 0.32 2.03 0.52 -1.16 -4.26 118.94 117.15 1ids s TRP 162 Ca 0.46 1.67 0.07 0.00 0.02 0.00 0.00 56.10 58.32 1ids s TRP 162 Cb 0.35 -3.13 0.76 0.00 -1.15 0.00 0.00 33.47 30.30 1ids s TRP 162 CO 0.13 -0.53 1.82 0.93 0.02 0.00 0.00 176.95 179.32 1ids h GLU 163 N 2.78 0.73 0.00 4.98 5.08 -1.93 -1.26 114.58 124.97 1ids h GLU 163 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1ids h GLU 163 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ids h GLU 163 CO 0.63 0.48 0.00 1.12 -1.00 0.00 0.00 179.01 180.25 1ids h HIS 164 N 0.75 0.00 0.00 4.33 2.07 -1.98 0.23 115.15 120.55 1ids h HIS 164 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 1ids h HIS 164 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1ids h HIS 164 CO -0.00 0.00 -0.18 0.00 -3.07 0.00 0.00 177.93 174.68 1ids h ALA 165 N 2.08 0.89 0.00 6.11 0.00 -1.55 -3.40 119.26 123.39 1ids h ALA 165 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ids h ALA 165 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ids h ALA 165 CO 0.00 0.00 -0.05 1.97 0.00 0.00 0.00 179.25 181.17 1ids n PHE 166 N -2.55 0.00 -0.18 0.00 1.16 -0.76 -4.95 117.46 110.17 1ids n PHE 166 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.61 1ids n PHE 166 Cb 0.48 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.41 1ids n PHE 166 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1ids h TYR 167 N 0.00 -0.08 -0.72 2.97 3.20 -0.75 0.22 116.97 121.81 1ids h TYR 167 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1ids h TYR 167 Cb 0.00 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1ids h TYR 167 CO 0.00 -0.15 0.42 -0.07 -1.64 0.00 0.00 178.16 176.72 1ids h LEU 168 N 0.09 0.87 0.01 2.82 3.38 -1.86 -0.45 115.31 120.18 1ids h LEU 168 Ca 0.28 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.93 1ids h LEU 168 Cb 0.43 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1ids h LEU 168 CO -0.48 0.67 -1.45 1.67 0.09 0.00 0.00 178.44 178.95 1ids n GLN 169 N -4.38 0.59 0.00 1.13 7.27 -1.09 -4.63 117.38 116.26 1ids n GLN 169 Ca 0.07 0.52 0.07 0.00 0.07 0.00 0.00 57.00 57.73 1ids n GLN 169 Cb 0.07 -1.72 -0.00 0.00 2.41 0.00 0.00 30.24 31.00 1ids n GLN 169 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ids n TYR 170 N -4.32 0.00 0.00 3.69 4.02 0.77 -5.06 117.16 116.26 1ids n TYR 170 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1ids n TYR 170 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 1ids n TYR 170 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ids n LYS 171 N -0.22 0.00 0.12 -0.72 4.01 -0.18 -2.06 118.16 119.11 1ids n LYS 171 Ca 0.06 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 57.98 1ids n LYS 171 Cb 0.29 0.00 0.38 0.00 -0.51 0.00 0.00 35.03 35.18 1ids n LYS 171 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1ids h ASN 172 N 0.00 0.00 -0.89 4.39 -1.07 -1.92 -3.38 115.58 112.71 1ids h ASN 172 Ca 0.00 -0.00 -0.72 0.00 0.07 0.00 0.00 56.30 55.64 1ids h ASN 172 Cb 0.00 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.15 1ids h ASN 172 CO 0.00 0.00 2.37 0.52 0.07 0.00 0.00 177.43 180.40 1ids n VAL 173 N -2.35 3.93 0.18 6.14 0.31 -0.88 -4.75 118.33 120.91 1ids n VAL 173 Ca 0.05 -3.88 0.02 0.00 -0.01 0.00 0.00 64.34 60.52 1ids n VAL 173 Cb 0.44 -2.46 0.33 0.00 -0.91 0.00 0.00 33.84 31.24 1ids n VAL 173 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1ids h LYS 174 N 6.37 0.01 0.00 5.55 2.10 -1.83 -2.71 116.57 126.07 1ids h LYS 174 Ca 0.46 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1ids h LYS 174 Cb 0.71 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1ids h LYS 174 CO 1.64 0.41 -0.01 -0.39 -2.00 0.00 0.00 179.45 179.10 1ids h VAL 175 N 0.01 0.03 0.00 0.07 -1.51 -1.95 -0.37 116.25 112.53 1ids h VAL 175 Ca -0.00 -0.33 -0.20 0.00 -1.23 0.00 0.00 66.70 64.94 1ids h VAL 175 Cb 0.72 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1ids h VAL 175 CO 0.05 0.01 -0.88 0.44 -1.23 0.00 0.00 177.57 175.96 1ids h ASP 176 N 0.00 0.28 -0.14 4.19 5.19 -1.88 -2.73 116.42 121.32 1ids h ASP 176 Ca -0.00 -0.22 -0.23 0.00 -0.62 0.00 0.00 57.03 55.96 1ids h ASP 176 Cb 0.32 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.76 1ids h ASP 176 CO 0.00 1.02 -0.79 0.15 -3.12 0.00 0.00 179.24 176.50 1ids h PHE 177 N 0.12 1.08 0.00 4.55 3.57 -1.29 -2.77 116.94 122.20 1ids h PHE 177 Ca -0.05 -0.48 -0.05 0.00 3.53 0.00 0.00 57.97 60.92 1ids h PHE 177 Cb 1.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1ids h PHE 177 CO 0.03 1.31 -0.25 0.00 -2.23 0.00 0.00 178.31 177.17 1ids h ALA 178 N 0.55 1.52 0.06 2.41 0.00 -1.07 -2.43 119.26 120.30 1ids h ALA 178 Ca -0.06 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1ids h ALA 178 Cb 1.42 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.19 1ids h ALA 178 CO 0.16 0.32 -0.81 -0.22 0.00 0.00 0.00 179.25 178.70 1ids h LYS 179 N 0.00 0.45 -0.12 0.00 3.64 -1.48 -3.30 116.57 115.76 1ids h LYS 179 Ca -0.00 -0.56 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1ids h LYS 179 Cb 0.46 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1ids h LYS 179 CO 0.03 1.21 -0.11 0.00 -2.27 0.00 0.00 179.45 178.31 1ids h ALA 180 N 0.26 1.61 -0.85 5.00 0.00 -1.35 -3.10 119.26 120.82 1ids h ALA 180 Ca -0.12 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.81 1ids h ALA 180 Cb 1.54 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 19.15 1ids h ALA 180 CO 0.16 0.29 0.36 0.35 0.00 0.00 0.00 179.25 180.41 1ids h PHE 181 N 0.17 0.60 -0.03 0.00 3.57 -1.51 -1.92 116.94 117.82 1ids h PHE 181 Ca 0.04 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ids h PHE 181 Cb 0.30 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1ids h PHE 181 CO 0.00 0.00 0.04 -1.49 -2.23 0.00 0.00 178.31 174.63 1ids h TRP 182 N 0.43 0.00 0.00 0.41 4.06 -1.72 -2.08 115.95 117.05 1ids h TRP 182 Ca 0.51 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.46 1ids h TRP 182 Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 1ids h TRP 182 CO -0.15 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.82 1ids h ASN 183 N 0.00 0.00 0.00 -3.49 2.35 -1.55 -3.32 115.58 109.57 1ids h ASN 183 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ids h ASN 183 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1ids h ASN 183 CO -0.00 0.00 -0.01 1.33 -1.65 0.00 0.00 177.43 177.10 1ids n VAL 184 N -2.68 1.23 -2.31 2.81 0.24 -0.79 -2.98 118.33 113.85 1ids n VAL 184 Ca 0.04 -1.35 -0.42 0.00 -2.04 0.00 0.00 64.34 60.57 1ids n VAL 184 Cb 0.44 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.07 1ids n VAL 184 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ids s VAL 185 N -1.54 3.53 -1.05 3.34 1.01 -1.16 -0.58 120.40 123.94 1ids s VAL 185 Ca 0.10 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 1ids s VAL 185 Cb 0.09 -3.76 0.19 0.00 0.00 0.00 0.00 36.38 32.89 1ids s VAL 185 CO 0.01 0.15 1.19 0.21 0.00 0.00 0.00 175.10 176.65 1ids s ASN 186 N 0.57 6.95 0.60 3.32 2.47 0.14 -1.20 114.94 127.79 1ids s ASN 186 Ca 0.57 -2.79 0.31 0.00 0.42 0.00 0.00 52.86 51.37 1ids s ASN 186 Cb -0.34 -2.34 1.88 0.00 -1.45 0.00 0.00 41.25 39.01 1ids s ASN 186 CO 0.34 -0.72 2.27 -0.50 -3.72 0.00 0.00 177.10 174.76 1ids h TRP 187 N 7.63 0.00 -0.12 0.43 4.06 -1.88 -1.16 115.95 124.92 1ids h TRP 187 Ca 0.21 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.08 1ids h TRP 187 Cb 0.94 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 1ids h TRP 187 CO 1.05 0.00 -0.32 0.00 -3.56 0.00 0.00 178.44 175.61 1ids h ALA 188 N 2.00 1.25 -0.04 1.49 0.00 -1.97 -0.41 119.26 121.58 1ids h ALA 188 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1ids h ALA 188 Cb 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ids h ALA 188 CO 0.00 0.51 -0.50 0.22 0.00 0.00 0.00 179.25 179.48 1ids h ASP 189 N 0.20 0.51 -0.69 0.00 3.58 -1.51 -2.70 116.42 115.80 1ids h ASP 189 Ca 0.03 -0.71 -0.07 0.00 0.42 0.00 0.00 57.03 56.69 1ids h ASP 189 Cb 0.67 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1ids h ASP 189 CO 0.05 1.15 0.15 0.58 -2.88 0.00 0.00 179.24 178.29 1ids h VAL 190 N -0.08 1.26 -0.81 2.25 2.07 -1.37 -1.10 116.25 118.48 1ids h VAL 190 Ca -0.05 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1ids h VAL 190 Cb 1.19 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1ids h VAL 190 CO 0.10 0.38 0.42 1.56 0.02 0.00 0.00 177.57 180.05 1ids h GLN 191 N 1.05 1.14 -0.46 1.57 4.20 -1.14 -1.10 115.11 120.37 1ids h GLN 191 Ca 0.22 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1ids h GLN 191 Cb 0.39 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1ids h GLN 191 CO 0.01 0.86 0.10 1.03 -0.67 0.00 0.00 178.83 180.15 1ids h SER 192 N 1.13 0.71 -0.12 1.46 0.87 -1.12 -1.95 113.55 114.52 1ids h SER 192 Ca 0.28 -0.24 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1ids h SER 192 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1ids h SER 192 CO -0.04 0.77 -0.45 0.03 -0.53 0.00 0.00 176.83 176.60 1ids h ARG 193 N 0.61 0.67 -0.47 2.24 3.08 -0.95 -2.85 114.38 116.72 1ids h ARG 193 Ca 0.14 -0.37 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1ids h ARG 193 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1ids h ARG 193 CO 0.00 0.99 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.82 1ids h TYR 194 N 0.54 1.01 -0.51 3.04 3.20 -1.10 -1.27 116.97 121.88 1ids h TYR 194 Ca 0.03 -0.22 -0.11 0.00 3.14 0.00 0.00 58.73 61.58 1ids h TYR 194 Cb 0.99 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1ids h TYR 194 CO 0.05 0.99 -0.12 0.00 -1.64 0.00 0.00 178.16 177.43 1ids h ALA 195 N 1.02 0.81 -0.09 1.82 0.00 -1.31 -2.31 119.26 119.19 1ids h ALA 195 Ca 0.12 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1ids h ALA 195 Cb 0.69 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ids h ALA 195 CO 0.05 0.66 -0.73 0.00 0.00 0.00 0.00 179.25 179.23 1ids h ALA 196 N 0.99 0.56 -0.17 0.00 0.00 -1.37 -1.19 119.26 118.08 1ids h ALA 196 Ca 0.13 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1ids h ALA 196 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ids h ALA 196 CO 0.05 0.75 -0.41 0.00 0.00 0.00 0.00 179.25 179.63 1ids h ALA 197 N 0.88 0.98 0.06 0.00 0.00 -1.11 -3.18 119.26 116.90 1ids h ALA 197 Ca -0.03 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 1ids h ALA 197 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1ids h ALA 197 CO 0.13 0.62 -1.55 1.79 0.00 0.00 0.00 179.25 180.24 1ids h THR 198 N 0.33 1.09 0.00 0.00 1.35 -1.42 -3.50 112.91 110.76 1ids h THR 198 Ca 0.03 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1ids h THR 198 Cb 0.87 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1ids h THR 198 CO 0.07 0.74 0.00 -1.20 -0.25 0.00 0.00 175.52 174.89