#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 1.87 -2.62 0.00 1.02 -1.26 -4.94 120.64 114.71 1ids n GLU 3 Ca 0.00 0.68 -0.38 0.00 -0.02 0.00 0.00 57.16 57.44 1ids n GLU 3 Cb 0.00 -2.55 -0.05 0.00 -0.02 0.00 0.00 31.44 28.82 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 -1.25 3.51 0.07 -0.32 2.02 -1.26 -5.04 117.35 115.08 1ids s TYR 4 Ca 0.67 1.72 0.03 0.00 -0.37 0.00 0.00 57.07 59.12 1ids s TYR 4 Cb -0.44 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.00 1ids s TYR 4 CO 0.53 -0.27 -0.10 0.95 -1.57 0.00 0.00 175.55 175.09 1ids s THR 5 N -1.51 0.84 -0.35 -0.71 -4.23 -1.26 -4.92 115.64 103.49 1ids s THR 5 Ca 0.52 -1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 59.32 1ids s THR 5 Cb -0.23 -1.08 0.01 0.00 1.34 0.00 0.00 72.50 72.54 1ids s THR 5 CO 0.29 -0.45 1.24 -0.22 -0.54 0.00 0.00 174.62 174.94 1ids s LEU 6 N -2.06 3.81 0.56 4.79 2.96 -1.26 -5.01 118.68 122.47 1ids s LEU 6 Ca -0.01 0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 54.71 1ids s LEU 6 Cb -0.06 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1ids s LEU 6 CO 0.00 -1.12 1.07 -2.16 -1.32 0.00 0.00 176.35 172.83 1ids s PRO 7 N 4.21 3.39 0.15 0.98 0.04 -1.26 -5.02 135.00 137.49 1ids s PRO 7 Ca 0.53 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1ids s PRO 7 Cb -0.13 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1ids s PRO 7 CO 0.24 -0.77 0.80 -0.51 0.04 0.00 0.00 177.00 176.80 1ids s ASP 8 N -2.36 7.39 0.38 6.66 1.01 -1.26 -5.05 116.67 123.45 1ids s ASP 8 Ca 0.67 1.65 -0.25 0.00 0.71 0.00 0.00 52.55 55.33 1ids s ASP 8 Cb -0.18 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 1ids s ASP 8 CO 0.31 0.15 1.08 -0.76 0.21 0.00 0.00 175.17 176.16 1ids s LEU 9 N -0.88 4.22 0.00 1.23 1.43 -1.26 -4.95 118.68 118.47 1ids s LEU 9 Ca 0.37 2.14 0.27 0.00 -1.03 0.00 0.00 54.13 55.89 1ids s LEU 9 Cb -0.23 -4.06 1.35 0.00 0.03 0.00 0.00 46.19 43.28 1ids s LEU 9 CO 0.26 -0.47 1.90 0.47 0.23 0.00 0.00 176.35 178.74 1ids n ASP 10 N 0.17 0.74 -4.04 2.29 8.00 -1.26 -4.89 116.55 117.56 1ids n ASP 10 Ca 0.04 -1.32 -0.10 0.00 0.71 0.00 0.00 54.79 54.11 1ids n ASP 10 Cb 0.48 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.97 0.58 0.34 1.24 1.48 -1.26 -5.07 118.94 114.27 1ids s TRP 11 Ca 0.40 -0.90 -0.27 0.00 -1.06 0.00 0.00 56.10 54.27 1ids s TRP 11 Cb 0.20 -0.06 -0.09 0.00 -1.16 0.00 0.00 33.47 32.36 1ids s TRP 11 CO 0.32 -0.85 1.07 0.34 -4.06 0.00 0.00 176.95 173.78 1ids s ASP 12 N -3.05 7.03 0.35 -2.66 2.15 -1.26 -4.94 116.67 114.30 1ids s ASP 12 Ca 0.26 2.15 0.16 0.00 0.43 0.00 0.00 52.55 55.55 1ids s ASP 12 Cb 0.02 -2.61 1.17 0.00 -0.30 0.00 0.00 42.92 41.20 1ids s ASP 12 CO 0.08 -0.30 1.60 1.88 -0.17 0.00 0.00 175.17 178.25 1ids h TYR 13 N 3.20 0.67 -0.73 -5.34 0.05 -1.96 0.19 116.97 113.04 1ids h TYR 13 Ca -0.47 0.05 -0.26 0.00 0.05 0.00 0.00 58.73 58.09 1ids h TYR 13 Cb 1.21 -0.12 -0.15 0.00 1.01 0.00 0.00 36.73 38.67 1ids h TYR 13 CO 0.58 -0.41 0.33 0.41 -1.05 0.00 0.00 178.16 178.03 1ids n GLY 14 N -1.31 3.63 0.12 3.88 0.00 -1.26 -4.07 105.19 106.17 1ids n GLY 14 Ca 0.33 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 2.32 0.92 -0.01 4.61 0.00 -0.95 -3.23 119.26 122.91 1ids h ALA 15 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ids h ALA 15 Cb 2.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1ids h ALA 15 CO 0.76 0.00 -0.44 1.28 0.00 0.00 0.00 179.25 180.85 1ids n LEU 16 N -2.41 1.33 -4.76 0.00 4.77 -1.26 -4.68 117.00 109.99 1ids n LEU 16 Ca 0.05 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.20 1ids n LEU 16 Cb 0.45 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1ids n LEU 16 CO 0.32 0.26 1.01 -1.61 -1.33 0.00 0.00 177.39 176.04 1ids s GLU 17 N -2.59 3.36 0.00 3.23 2.02 -1.15 -1.59 118.70 121.97 1ids s GLU 17 Ca 0.19 2.29 0.26 0.00 0.02 0.00 0.00 54.97 57.73 1ids s GLU 17 Cb 0.18 -2.41 1.01 0.00 0.10 0.00 0.00 34.13 33.02 1ids s GLU 17 CO 0.59 -1.04 1.71 -0.35 0.02 0.00 0.00 175.26 176.20 1ids n PRO 18 N -0.71 1.64 -0.07 0.39 -0.04 -1.26 -4.86 135.00 130.08 1ids n PRO 18 Ca 0.08 -0.94 -0.10 0.00 -0.04 0.00 0.00 63.50 62.50 1ids n PRO 18 Cb 0.44 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.17 0.37 -3.23 0.54 3.86 -1.67 -3.41 115.15 113.78 1ids h HIS 19 Ca 0.00 -0.03 -0.50 0.00 -1.16 0.00 0.00 60.37 58.68 1ids h HIS 19 Cb 0.46 -0.11 -0.38 0.00 1.06 0.00 0.00 27.41 28.45 1ids h HIS 19 CO 0.03 0.40 -0.79 0.42 0.86 0.00 0.00 177.93 178.85 1ids s ILE 20 N -5.52 0.78 0.64 2.45 1.01 -1.02 -4.90 121.20 114.65 1ids s ILE 20 Ca -0.14 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 1ids s ILE 20 Cb 0.08 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 1ids s ILE 20 CO 0.72 0.27 1.10 -1.54 0.00 0.00 0.00 174.94 175.49 1ids n SER 21 N 5.01 1.26 0.09 3.58 3.41 -1.26 -2.95 113.62 122.75 1ids n SER 21 Ca -0.10 0.79 -0.05 0.00 -0.26 0.00 0.00 58.87 59.25 1ids n SER 21 Cb 0.50 -1.46 0.11 0.00 -0.26 0.00 0.00 64.21 63.09 1ids n SER 21 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ids h GLY 22 N 0.38 0.21 0.64 5.00 0.00 -1.90 -2.90 103.07 104.50 1ids h GLY 22 Ca -0.49 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 46.60 1ids h GLY 22 CO 0.51 0.25 0.00 -1.61 0.00 0.00 0.00 176.54 175.69 1ids h GLN 23 N 0.14 0.07 -0.08 4.80 4.15 -1.91 -0.99 115.11 121.29 1ids h GLN 23 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1ids h GLN 23 Cb 1.17 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 1ids h GLN 23 CO 0.10 0.05 0.01 0.82 -1.93 0.00 0.00 178.83 177.88 1ids h ILE 24 N 0.08 1.22 -0.94 2.39 2.04 -1.94 -2.89 117.51 117.47 1ids h ILE 24 Ca 0.11 -0.69 0.13 0.00 1.00 0.00 0.00 64.86 65.41 1ids h ILE 24 Cb 0.14 1.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 1ids h ILE 24 CO -0.19 0.19 0.56 0.78 0.00 0.00 0.00 178.15 179.50 1ids h ASN 25 N -0.11 0.78 0.73 1.72 2.35 -1.29 0.45 115.58 120.21 1ids h ASN 25 Ca 0.02 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1ids h ASN 25 Cb 0.30 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.59 1ids h ASN 25 CO 0.00 0.38 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.73 1ids h GLU 26 N 0.85 -0.94 -0.47 0.81 4.81 -1.13 -1.38 114.58 117.13 1ids h GLU 26 Ca 0.49 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.81 1ids h GLU 26 Cb 0.57 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1ids h GLU 26 CO -0.30 -0.61 0.26 -0.07 -0.73 0.00 0.00 179.01 177.56 1ids h LEU 27 N -1.20 0.40 -0.20 1.64 3.38 -1.28 -0.17 115.31 117.88 1ids h LEU 27 Ca -0.10 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1ids h LEU 27 Cb 0.77 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1ids h LEU 27 CO 0.16 0.29 -0.12 -0.74 0.09 0.00 0.00 178.44 178.12 1ids h HIS 28 N 0.52 -0.28 0.17 1.13 2.76 -0.12 0.41 115.15 119.73 1ids h HIS 28 Ca 0.19 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1ids h HIS 28 Cb 0.06 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1ids h HIS 28 CO -0.08 -0.18 -0.08 1.25 -1.30 0.00 0.00 177.93 177.54 1ids h HIS 29 N -0.10 -0.21 0.00 5.26 -0.00 -1.05 0.48 115.15 119.52 1ids h HIS 29 Ca 0.11 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 1ids h HIS 29 Cb 0.27 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1ids h HIS 29 CO -0.27 -0.13 -0.12 0.66 -0.00 0.00 0.00 177.93 178.06 1ids h SER 30 N -0.64 0.00 0.00 3.26 4.64 -1.12 -3.05 113.55 116.65 1ids h SER 30 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ids h SER 30 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ids h SER 30 CO 0.04 0.12 -0.04 0.29 -0.87 0.00 0.00 176.83 176.37 1ids n LYS 31 N -3.26 0.02 0.50 4.77 4.76 0.04 -4.51 118.16 120.49 1ids n LYS 31 Ca 0.01 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.26 1ids n LYS 31 Cb 0.39 -0.40 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 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 -0.04 -1.22 -0.78 2.13 3.86 -1.26 -2.69 115.15 115.14 1ids h HIS 32 Ca 0.00 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1ids h HIS 32 Cb 0.04 0.41 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 1ids h HIS 32 CO -0.02 -0.75 0.51 1.25 0.86 0.00 0.00 177.93 179.78 1ids h HIS 33 N -1.28 0.95 -0.11 2.45 -0.00 -0.96 -2.16 115.15 114.04 1ids h HIS 33 Ca -0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1ids h HIS 33 Cb 0.99 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 1ids h HIS 33 CO -0.01 0.57 0.02 0.00 -0.00 0.00 0.00 177.93 178.51 1ids h ALA 34 N 1.31 1.84 -0.47 5.26 0.00 -1.54 -2.15 119.26 123.51 1ids h ALA 34 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ids h ALA 34 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ids h ALA 34 CO -0.09 0.13 -0.07 1.15 0.00 0.00 0.00 179.25 180.37 1ids h THR 35 N 0.15 1.26 -0.02 0.00 2.02 -1.04 -2.66 112.91 112.62 1ids h THR 35 Ca 0.04 -1.13 -0.18 0.00 0.77 0.00 0.00 66.41 65.91 1ids h THR 35 Cb 0.07 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1ids h THR 35 CO -0.00 0.39 -0.79 1.88 0.37 0.00 0.00 175.52 177.37 1ids h TYR 36 N 0.76 0.27 -0.53 3.16 0.05 -1.33 -1.87 116.97 117.48 1ids h TYR 36 Ca 0.13 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1ids h TYR 36 Cb 0.55 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1ids h TYR 36 CO 0.03 0.90 -0.00 0.28 -1.05 0.00 0.00 178.16 178.32 1ids h VAL 37 N 0.12 1.25 -0.26 -2.88 2.07 -1.32 0.18 116.25 115.41 1ids h VAL 37 Ca -0.03 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 1ids h VAL 37 Cb 1.38 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1ids h VAL 37 CO 0.12 0.38 -0.23 0.50 0.02 0.00 0.00 177.57 178.36 1ids h LYS 38 N 0.84 0.61 -0.49 1.57 1.63 -1.45 -2.30 116.57 116.98 1ids h LYS 38 Ca 0.16 -0.31 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1ids h LYS 38 Cb 0.50 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1ids h LYS 38 CO 0.02 0.90 0.10 0.78 -3.45 0.00 0.00 179.45 177.81 1ids h GLY 39 N 0.32 0.81 0.87 5.01 0.00 -1.08 -0.16 103.07 108.84 1ids h GLY 39 Ca 0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1ids h GLY 39 CO 0.06 0.44 -0.16 0.00 0.00 0.00 0.00 176.54 176.88 1ids h ALA 40 N 1.38 0.36 -0.63 3.60 0.00 -0.58 -1.60 119.26 121.80 1ids h ALA 40 Ca 0.16 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1ids h ALA 40 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ids h ALA 40 CO 0.00 0.26 0.05 -0.91 0.00 0.00 0.00 179.25 178.64 1ids h ASN 41 N 0.27 1.05 -0.44 0.00 2.35 -1.22 -2.27 115.58 115.34 1ids h ASN 41 Ca 0.05 -0.29 -0.15 0.00 -0.55 0.00 0.00 56.30 55.37 1ids h ASN 41 Cb 0.68 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1ids h ASN 41 CO 0.04 1.08 -0.30 0.44 -1.65 0.00 0.00 177.43 177.05 1ids h ASP 42 N 0.99 1.02 -0.72 5.81 3.32 -1.01 -2.40 116.42 123.43 1ids h ASP 42 Ca 0.18 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1ids h ASP 42 Cb 0.51 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1ids h ASP 42 CO 0.02 1.23 0.46 0.00 -1.72 0.00 0.00 179.24 179.23 1ids h ALA 43 N 0.83 0.92 -0.11 3.45 0.00 -1.15 0.02 119.26 123.22 1ids h ALA 43 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ids h ALA 43 Cb 0.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ids h ALA 43 CO 0.08 0.29 -0.31 0.28 0.00 0.00 0.00 179.25 179.59 1ids h VAL 44 N 0.93 1.26 -0.00 0.00 2.07 -1.32 -2.73 116.25 116.46 1ids h VAL 44 Ca 0.27 -1.23 -0.26 0.00 0.82 0.00 0.00 66.70 66.30 1ids h VAL 44 Cb -0.06 1.52 0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1ids h VAL 44 CO -0.08 0.37 -1.01 0.00 0.02 0.00 0.00 177.57 176.87 1ids h ALA 45 N 1.51 0.12 -0.14 1.67 0.00 -0.84 -2.97 119.26 118.61 1ids h ALA 45 Ca 0.03 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1ids h ALA 45 Cb 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ids h ALA 45 CO 0.05 0.66 -0.27 0.87 0.00 0.00 0.00 179.25 180.56 1ids h LYS 46 N 0.36 0.26 -0.06 0.00 1.79 -0.94 -2.59 116.57 115.40 1ids h LYS 46 Ca -0.13 -0.09 -0.17 0.00 -2.18 0.00 0.00 60.65 58.08 1ids h LYS 46 Cb 1.67 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.29 1ids h LYS 46 CO 0.20 0.51 -0.71 -0.07 -1.08 0.00 0.00 179.45 178.31 1ids h LEU 47 N 0.23 0.35 -0.51 2.94 3.38 -1.52 -1.59 115.31 118.59 1ids h LEU 47 Ca 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1ids h LEU 47 Cb 0.60 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1ids h LEU 47 CO 0.04 0.95 0.16 -0.33 0.09 0.00 0.00 178.44 179.35 1ids h GLU 48 N 0.20 0.79 -0.23 1.13 5.08 -1.31 -2.19 114.58 118.05 1ids h GLU 48 Ca -0.02 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1ids h GLU 48 Cb 1.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1ids h GLU 48 CO 0.11 0.73 0.03 1.49 -1.00 0.00 0.00 179.01 180.37 1ids h GLU 49 N 0.69 0.38 -0.66 2.33 4.81 -1.43 -1.69 114.58 119.01 1ids h GLU 49 Ca 0.16 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1ids h GLU 49 Cb 0.27 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1ids h GLU 49 CO -0.01 0.53 0.38 0.00 -0.73 0.00 0.00 179.01 179.19 1ids h ALA 50 N 0.83 0.88 -0.36 2.92 0.00 -1.12 0.79 119.26 123.20 1ids h ALA 50 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1ids h ALA 50 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ids h ALA 50 CO 0.01 0.09 -0.37 0.00 0.00 0.00 0.00 179.25 178.97 1ids h ARG 51 N 0.72 0.86 -0.14 0.00 3.08 -1.33 0.13 114.38 117.69 1ids h ARG 51 Ca 0.29 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1ids h ARG 51 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ids h ARG 51 CO -0.16 1.08 -0.02 0.00 -1.07 0.00 0.00 179.97 179.81 1ids h ALA 52 N 0.86 0.19 -0.00 0.04 0.00 -0.69 -2.74 119.26 116.93 1ids h ALA 52 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ids h ALA 52 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ids h ALA 52 CO 0.09 -0.08 -0.02 1.63 0.00 0.00 0.00 179.25 180.87 1ids n LYS 53 N -4.74 0.21 -3.67 0.00 5.02 0.21 -4.93 118.16 110.26 1ids n LYS 53 Ca -0.06 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.99 1ids n LYS 53 Cb 0.23 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.39 -3.42 -3.57 1.97 -0.58 0.22 -4.98 120.64 108.88 1ids n GLU 54 Ca 0.10 0.58 -0.29 0.00 -0.42 0.00 0.00 57.16 57.14 1ids n GLU 54 Cb 0.30 -4.89 -0.15 0.00 -0.57 0.00 0.00 31.44 26.12 1ids n GLU 54 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ids s ASP 55 N -4.01 3.37 -0.40 1.62 2.15 0.11 -5.02 116.67 114.49 1ids s ASP 55 Ca 0.18 -1.20 0.05 0.00 0.43 0.00 0.00 52.55 52.02 1ids s ASP 55 Cb -0.05 -0.38 0.53 0.00 -0.30 0.00 0.00 42.92 42.71 1ids s ASP 55 CO 0.83 -0.42 1.64 1.41 -0.17 0.00 0.00 175.17 178.46 1ids n HIS 56 N 5.22 2.19 0.28 -5.34 8.25 -1.26 -4.61 115.22 119.95 1ids n HIS 56 Ca -0.06 -2.03 0.18 0.00 -0.26 0.00 0.00 57.72 55.55 1ids n HIS 56 Cb 0.43 -0.76 0.75 0.00 1.12 0.00 0.00 29.99 31.53 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 1.36 0.00 -0.26 0.41 4.64 -1.97 -2.71 113.55 115.03 1ids h SER 57 Ca 0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 1ids h SER 57 Cb 1.76 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.80 1ids h SER 57 CO 0.84 0.01 -0.06 0.00 -0.87 0.00 0.00 176.83 176.75 1ids n ALA 58 N -2.10 3.54 -0.28 5.18 0.00 -1.26 -4.75 120.51 120.84 1ids n ALA 58 Ca 0.00 -2.78 0.07 0.00 0.00 0.00 0.00 53.44 50.73 1ids n ALA 58 Cb 0.28 -0.67 0.21 0.00 0.00 0.00 0.00 19.45 19.28 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 1.16 0.67 -0.55 0.00 6.09 -1.83 -1.84 117.51 121.21 1ids h ILE 59 Ca 0.10 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 63.43 1ids h ILE 59 Cb 1.47 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.84 1ids h ILE 59 CO 0.26 0.09 0.36 0.25 -3.07 0.00 0.00 178.15 176.05 1ids h LEU 60 N 0.51 0.62 -0.17 2.19 6.46 -1.86 -0.09 115.31 122.97 1ids h LEU 60 Ca 0.45 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.18 1ids h LEU 60 Cb 0.68 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1ids h LEU 60 CO -0.40 0.45 0.04 0.25 -0.62 0.00 0.00 178.44 178.16 1ids h LEU 61 N 0.74 0.26 -1.05 2.25 5.85 -1.77 -2.05 115.31 119.54 1ids h LEU 61 Ca 0.20 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ids h LEU 61 Cb -0.08 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1ids h LEU 61 CO -0.05 0.42 0.31 0.78 -0.34 0.00 0.00 178.44 179.56 1ids h ASN 62 N 0.09 0.89 0.52 1.25 -0.26 -1.17 -0.79 115.58 116.11 1ids h ASN 62 Ca 0.05 -0.11 -0.18 0.00 -0.56 0.00 0.00 56.30 55.51 1ids h ASN 62 Cb 0.26 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1ids h ASN 62 CO 0.00 0.77 -0.79 -0.33 -1.06 0.00 0.00 177.43 176.02 1ids h GLU 63 N 0.98 0.21 -0.13 0.81 4.39 -0.95 -2.17 114.58 117.71 1ids h GLU 63 Ca 0.24 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1ids h GLU 63 Cb 0.13 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1ids h GLU 63 CO -0.03 0.90 -0.51 -0.22 -1.16 0.00 0.00 179.01 177.99 1ids h LYS 64 N 0.13 0.58 -0.73 2.33 3.64 -1.06 -2.56 116.57 118.90 1ids h LYS 64 Ca -0.03 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1ids h LYS 64 Cb 1.38 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.26 1ids h LYS 64 CO 0.12 1.07 0.26 -0.91 -2.27 0.00 0.00 179.45 177.72 1ids h ASN 65 N 0.21 1.03 0.41 4.20 2.35 -1.19 0.21 115.58 122.79 1ids h ASN 65 Ca -0.03 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1ids h ASN 65 Cb 1.14 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1ids h ASN 65 CO 0.11 0.94 -0.20 0.25 -1.65 0.00 0.00 177.43 176.88 1ids h LEU 66 N 1.06 -0.46 -0.39 1.61 5.85 -1.40 -1.91 115.31 119.67 1ids h LEU 66 Ca 0.24 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ids h LEU 66 Cb 0.25 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1ids h LEU 66 CO -0.01 -0.22 0.17 0.00 -0.34 0.00 0.00 178.44 178.04 1ids h ALA 67 N -0.15 0.51 0.37 1.25 0.00 -1.40 0.30 119.26 120.13 1ids h ALA 67 Ca -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ids h ALA 67 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ids h ALA 67 CO 0.09 0.09 -0.18 0.35 0.00 0.00 0.00 179.25 179.60 1ids h PHE 68 N 0.49 -0.46 -0.26 0.00 3.57 -0.98 -1.48 116.94 117.82 1ids h PHE 68 Ca 0.13 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 1ids h PHE 68 Cb 0.15 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1ids h PHE 68 CO -0.01 -0.20 -0.39 -0.91 -2.23 0.00 0.00 178.31 174.58 1ids h ASN 69 N -0.66 0.78 -0.69 0.41 2.35 -1.38 -0.60 115.58 115.80 1ids h ASN 69 Ca -0.05 -0.51 -0.04 0.00 -0.55 0.00 0.00 56.30 55.14 1ids h ASN 69 Cb 0.47 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1ids h ASN 69 CO 0.08 1.15 0.27 0.25 -1.65 0.00 0.00 177.43 177.53 1ids h LEU 70 N 0.45 0.95 -0.73 1.61 5.85 -0.99 0.14 115.31 122.58 1ids h LEU 70 Ca 0.02 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 1ids h LEU 70 Cb 0.98 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1ids h LEU 70 CO 0.09 0.86 -0.43 0.00 -0.34 0.00 0.00 178.44 178.62 1ids h ALA 71 N 1.12 0.91 0.06 1.25 0.00 -1.27 0.11 119.26 121.44 1ids h ALA 71 Ca 0.23 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ids h ALA 71 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ids h ALA 71 CO -0.02 0.64 -0.03 0.78 0.00 0.00 0.00 179.25 180.62 1ids h GLY 72 N 1.13 -0.08 0.99 0.00 0.00 -0.59 -1.49 103.07 103.03 1ids h GLY 72 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ids h GLY 72 CO 0.08 -0.03 0.06 0.84 0.00 0.00 0.00 176.54 177.49 1ids h HIS 73 N -0.23 0.11 -0.65 5.60 6.17 -0.50 -2.56 115.15 123.09 1ids h HIS 73 Ca -0.01 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.12 1ids h HIS 73 Cb 0.20 -0.04 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 1ids h HIS 73 CO -0.02 0.07 0.37 0.28 0.71 0.00 0.00 177.93 179.34 1ids h VAL 74 N 0.12 1.01 -0.29 5.26 2.07 -0.69 -1.93 116.25 121.80 1ids h VAL 74 Ca 0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1ids h VAL 74 Cb -0.01 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1ids h VAL 74 CO -0.01 0.13 0.11 0.78 0.02 0.00 0.00 177.57 178.60 1ids h ASN 75 N 0.71 0.41 0.24 0.57 2.35 -1.14 -2.99 115.58 115.72 1ids h ASN 75 Ca 0.28 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1ids h ASN 75 Cb 0.12 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1ids h ASN 75 CO -0.15 0.47 -0.47 0.45 -1.65 0.00 0.00 177.43 176.07 1ids h HIS 76 N 0.32 0.34 -0.33 1.19 3.86 -1.32 -1.92 115.15 117.29 1ids h HIS 76 Ca 0.10 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1ids h HIS 76 Cb 0.19 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1ids h HIS 76 CO -0.01 0.70 0.15 1.15 0.86 0.00 0.00 177.93 180.79 1ids h THR 77 N 0.23 1.17 -0.13 2.45 2.02 -1.26 -1.86 112.91 115.53 1ids h THR 77 Ca 0.01 -0.49 -0.16 0.00 0.77 0.00 0.00 66.41 66.54 1ids h THR 77 Cb 0.92 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1ids h THR 77 CO 0.08 0.18 -0.60 0.40 0.37 0.00 0.00 175.52 175.94 1ids h ILE 78 N 0.39 1.35 -0.15 3.11 2.04 -1.50 -3.19 117.51 119.57 1ids h ILE 78 Ca 0.11 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 64.09 1ids h ILE 78 Cb 0.14 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1ids h ILE 78 CO -0.01 0.58 -0.01 -0.25 0.00 0.00 0.00 178.15 178.46 1ids h TRP 79 N 0.31 -0.02 -0.23 1.37 2.91 -1.08 0.11 115.95 119.33 1ids h TRP 79 Ca -0.00 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1ids h TRP 79 Cb 1.13 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 1ids h TRP 79 CO 0.04 -0.03 -0.10 -1.49 -1.03 0.00 0.00 178.44 175.83 1ids h TRP 80 N 0.04 0.38 0.00 2.65 -0.00 -1.39 -2.81 115.95 114.82 1ids h TRP 80 Ca 0.07 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.89 58.75 1ids h TRP 80 Cb 0.09 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.12 1ids h TRP 80 CO -0.16 0.46 -0.81 0.87 -0.00 0.00 0.00 178.44 178.81 1ids h LYS 81 N 0.35 0.00 0.00 0.49 1.79 -1.42 -3.20 116.57 114.58 1ids h LYS 81 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1ids h LYS 81 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1ids h LYS 81 CO 0.02 0.72 0.00 0.09 -1.08 0.00 0.00 179.45 179.20 1ids n ASN 82 N -3.26 0.18 -4.67 0.86 5.03 0.35 -4.74 115.26 109.01 1ids n ASN 82 Ca -0.00 0.53 -0.35 0.00 0.87 0.00 0.00 54.58 55.63 1ids n ASN 82 Cb 0.85 -0.57 -0.10 0.00 -1.02 0.00 0.00 39.78 38.94 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 -3.36 3.62 -0.06 3.41 1.43 -1.15 0.42 118.68 122.99 1ids s LEU 83 Ca 0.10 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 1ids s LEU 83 Cb 0.13 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1ids s LEU 83 CO 0.42 0.34 0.35 -0.55 0.23 0.00 0.00 176.35 177.14 1ids s SER 84 N -0.65 -0.28 0.31 2.29 0.15 -0.35 -4.74 113.70 110.44 1ids s SER 84 Ca 0.11 0.34 0.15 0.00 0.70 0.00 0.00 55.95 57.24 1ids s SER 84 Cb -0.12 0.47 0.45 0.00 -1.71 0.00 0.00 66.02 65.12 1ids s SER 84 CO 0.02 -0.36 1.63 -0.65 1.20 0.00 0.00 173.24 175.09 1ids h PRO 85 N 4.35 0.00 -0.65 5.44 0.11 -1.85 -2.64 132.00 136.75 1ids h PRO 85 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ids h PRO 85 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ids h PRO 85 CO 0.36 0.51 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 1ids n ASN 86 N -3.59 3.52 -2.41 -2.05 3.02 -1.26 -4.95 115.26 107.54 1ids n ASN 86 Ca -0.00 -2.40 -0.04 0.00 -0.03 0.00 0.00 54.58 52.10 1ids n ASN 86 Cb 0.60 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.66 0.25 0.00 7.41 0.00 -0.99 -5.01 105.19 107.50 1ids n GLY 87 Ca 0.17 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 3.65 0.86 7.00 -0.02 0.00 0.61 -4.71 105.19 112.57 1ids n GLY 88 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 0.00 -4.27 1.61 9.92 -1.26 -4.76 116.55 117.78 1ids n ASP 89 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 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 1.14 0.62 -1.24 1.02 -1.26 -5.04 119.74 114.98 1ids s LYS 90 Ca 0.00 -1.52 -0.14 0.00 0.02 0.00 0.00 55.97 54.33 1ids s LYS 90 Cb 0.00 -0.60 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 1ids s LYS 90 CO 0.00 0.02 1.05 -1.25 -0.92 0.00 0.00 175.35 174.25 1ids s PRO 91 N -3.79 3.24 0.38 -1.68 0.04 -1.26 -5.03 135.00 126.91 1ids s PRO 91 Ca 0.20 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.42 1ids s PRO 91 Cb 0.04 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1ids s PRO 91 CO 0.03 -0.86 0.03 0.95 0.04 0.00 0.00 177.00 177.18 1ids s THR 92 N -2.62 1.67 0.00 1.26 -4.23 -1.26 -4.48 115.64 105.98 1ids s THR 92 Ca 0.62 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1ids s THR 92 Cb -0.15 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1ids s THR 92 CO 0.42 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1ids n GLY 93 N -0.88 2.43 0.17 3.99 0.00 -1.26 -3.34 105.19 106.30 1ids n GLY 93 Ca -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.14 -0.74 1.61 5.08 -1.97 -1.31 114.58 117.11 1ids h GLU 94 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1ids h GLU 94 Cb 0.00 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.15 1ids h GLU 94 CO 0.00 -0.09 -0.10 1.25 -1.00 0.00 0.00 179.01 179.07 1ids h LEU 95 N -0.14 -0.53 -1.13 1.33 5.85 -1.94 0.78 115.31 119.52 1ids h LEU 95 Ca 0.03 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1ids h LEU 95 Cb 0.22 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1ids h LEU 95 CO -0.23 -0.22 0.42 0.00 -0.34 0.00 0.00 178.44 178.07 1ids h ALA 96 N 1.72 1.34 -0.12 1.25 0.00 -1.44 0.58 119.26 122.59 1ids h ALA 96 Ca 0.38 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 1ids h ALA 96 Cb 0.63 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ids h ALA 96 CO -0.72 0.55 -0.80 0.00 0.00 0.00 0.00 179.25 178.29 1ids h ALA 97 N 1.43 0.36 -0.42 0.00 0.00 0.79 -2.75 119.26 118.67 1ids h ALA 97 Ca 0.26 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1ids h ALA 97 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ids h ALA 97 CO -0.04 0.71 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 1ids h ALA 98 N 0.63 0.57 -0.43 0.00 0.00 0.80 -2.22 119.26 118.61 1ids h ALA 98 Ca -0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1ids h ALA 98 Cb 1.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ids h ALA 98 CO 0.16 0.36 -0.23 0.82 0.00 0.00 0.00 179.25 180.36 1ids h ILE 99 N 0.59 1.27 -0.40 0.00 2.04 -0.94 -1.44 117.51 118.63 1ids h ILE 99 Ca 0.12 -1.38 -0.15 0.00 1.00 0.00 0.00 64.86 64.45 1ids h ILE 99 Cb 0.50 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1ids h ILE 99 CO 0.02 0.47 -0.34 0.00 0.00 0.00 0.00 178.15 178.30 1ids h ALA 100 N 0.97 0.63 0.00 1.87 0.00 -1.45 0.17 119.26 121.45 1ids h ALA 100 Ca 0.10 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1ids h ALA 100 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ids h ALA 100 CO 0.06 0.68 -0.78 -0.44 0.00 0.00 0.00 179.25 178.78 1ids h ASP 101 N 0.78 0.00 0.63 0.00 3.32 -1.36 0.49 116.42 120.28 1ids h ASP 101 Ca 0.07 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.85 1ids h ASP 101 Cb 0.93 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1ids h ASP 101 CO 0.09 0.78 -1.46 0.00 -1.72 0.00 0.00 179.24 176.92 1ids h ALA 102 N 1.22 0.53 0.00 3.45 0.00 -1.16 -3.39 119.26 119.92 1ids h ALA 102 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1ids h ALA 102 Cb 1.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1ids h ALA 102 CO 0.10 1.39 0.00 1.19 0.00 0.00 0.00 179.25 181.93 1ids n PHE 103 N -3.23 0.00 0.00 0.00 3.01 0.60 -5.01 117.46 112.82 1ids n PHE 103 Ca -0.12 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1ids n PHE 103 Cb 1.01 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 1ids n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ids n GLY 104 N -0.26 2.43 3.61 1.37 0.00 0.16 -4.35 105.19 108.14 1ids n GLY 104 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.34 0.34 1.61 1.04 -1.22 -4.70 113.70 110.42 1ids s SER 105 Ca 0.00 -0.40 0.14 0.00 0.48 0.00 0.00 55.95 56.18 1ids s SER 105 Cb 0.00 0.64 0.62 0.00 0.10 0.00 0.00 66.02 67.37 1ids s SER 105 CO 0.00 -1.13 1.74 0.15 0.98 0.00 0.00 173.24 174.98 1ids h PHE 106 N 2.08 0.00 -0.25 5.02 3.57 -1.90 -2.27 116.94 123.18 1ids h PHE 106 Ca -0.27 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.09 1ids h PHE 106 Cb 1.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1ids h PHE 106 CO 0.34 0.45 -0.41 -0.44 -2.23 0.00 0.00 178.31 176.03 1ids h ASP 107 N 0.00 0.79 -0.34 0.41 3.32 -1.96 -1.12 116.42 117.51 1ids h ASP 107 Ca -0.00 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 1ids h ASP 107 Cb 0.87 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1ids h ASP 107 CO 0.06 1.16 -0.16 0.11 -1.72 0.00 0.00 179.24 178.69 1ids h LYS 108 N 0.44 0.80 -0.26 3.56 1.57 -1.81 -1.05 116.57 119.83 1ids h LYS 108 Ca 0.02 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1ids h LYS 108 Cb 1.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1ids h LYS 108 CO 0.09 0.91 0.04 0.35 -0.57 0.00 0.00 179.45 180.27 1ids h PHE 109 N 0.72 0.47 -0.38 -1.35 3.57 -1.36 -2.19 116.94 116.41 1ids h PHE 109 Ca 0.11 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1ids h PHE 109 Cb 0.66 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1ids h PHE 109 CO 0.04 0.56 0.05 -0.09 -2.23 0.00 0.00 178.31 176.63 1ids h ARG 110 N 0.24 0.16 0.06 1.11 2.43 -0.87 -0.85 114.38 116.65 1ids h ARG 110 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ids h ARG 110 Cb 0.35 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ids h ARG 110 CO 0.01 0.10 -0.04 0.00 -1.51 0.00 0.00 179.97 178.53 1ids h ALA 111 N 1.31 -0.09 -0.56 2.80 0.00 -1.09 -0.14 119.26 121.48 1ids h ALA 111 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ids h ALA 111 Cb 0.24 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ids h ALA 111 CO -0.27 -0.55 0.25 0.37 0.00 0.00 0.00 179.25 179.05 1ids h GLN 112 N -0.10 0.82 -0.59 0.00 4.15 -1.10 -1.59 115.11 116.70 1ids h GLN 112 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1ids h GLN 112 Cb 0.08 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1ids h GLN 112 CO 0.00 0.69 0.32 0.35 -1.93 0.00 0.00 178.83 178.26 1ids h PHE 113 N 0.76 0.83 -0.63 3.99 3.57 -1.00 -0.87 116.94 123.58 1ids h PHE 113 Ca 0.19 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ids h PHE 113 Cb 0.15 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1ids h PHE 113 CO 0.00 0.60 0.31 1.25 -2.23 0.00 0.00 178.31 178.25 1ids h HIS 114 N 0.81 0.90 -0.42 0.41 2.76 -0.77 -1.63 115.15 117.20 1ids h HIS 114 Ca 0.21 -0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 1ids h HIS 114 Cb 0.06 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 1ids h HIS 114 CO -0.01 0.67 -0.28 0.00 -1.30 0.00 0.00 177.93 177.01 1ids h ALA 115 N 1.14 0.60 -0.21 5.26 0.00 -1.08 -1.69 119.26 123.28 1ids h ALA 115 Ca 0.22 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1ids h ALA 115 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ids h ALA 115 CO -0.03 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 1ids h ALA 116 N 0.81 0.97 -0.10 0.00 0.00 -1.00 -2.83 119.26 117.11 1ids h ALA 116 Ca 0.08 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1ids h ALA 116 Cb 0.87 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ids h ALA 116 CO 0.08 0.61 -0.80 0.00 0.00 0.00 0.00 179.25 179.14 1ids h ALA 117 N 1.21 0.39 -0.24 0.00 0.00 -1.22 -3.32 119.26 116.09 1ids h ALA 117 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ids h ALA 117 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ids h ALA 117 CO 0.07 0.72 0.00 0.25 0.00 0.00 0.00 179.25 180.29 1ids n THR 118 N -3.88 0.30 -0.29 0.00 -2.24 -0.64 -4.16 114.28 103.37 1ids n THR 118 Ca -0.07 -0.47 0.04 0.00 -2.27 0.00 0.00 64.05 61.28 1ids n THR 118 Cb 0.76 0.57 0.08 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.70 1.25 -2.06 4.28 -2.24 -1.07 -5.00 114.28 110.13 1ids n THR 119 Ca 0.17 -1.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.26 1ids n THR 119 Cb 0.42 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.45 2.69 -1.05 2.28 1.01 -1.26 -4.95 120.40 117.67 1ids s VAL 120 Ca 0.14 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 1ids s VAL 120 Cb 0.10 -3.40 0.26 0.00 0.00 0.00 0.00 36.38 33.35 1ids s VAL 120 CO 0.05 0.12 1.03 -1.10 0.00 0.00 0.00 175.10 175.21 1ids s GLN 121 N -1.03 4.03 0.00 2.72 -0.21 -1.26 -4.89 119.66 119.02 1ids s GLN 121 Ca 0.54 -3.14 0.00 0.00 0.02 0.00 0.00 55.36 52.79 1ids s GLN 121 Cb -0.41 -4.47 0.00 0.00 1.00 0.00 0.00 33.01 29.13 1ids s GLN 121 CO 0.48 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.81 1ids n GLY 122 N 2.81 0.32 3.81 3.09 0.00 -1.26 -5.04 105.19 108.92 1ids n GLY 122 Ca 0.22 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 6.91 0.00 1.61 0.01 -1.26 -4.93 113.70 112.04 1ids s SER 123 Ca 0.00 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1ids s SER 123 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1ids s SER 123 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1ids n GLY 124 N -0.27 -1.27 3.37 3.44 0.00 -1.26 0.34 105.19 109.54 1ids n GLY 124 Ca 0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.92 0.47 -0.16 1.61 0.52 0.09 -0.67 118.94 117.89 1ids s TRP 125 Ca 0.00 -0.82 -0.03 0.00 0.02 0.00 0.00 56.10 55.27 1ids s TRP 125 Cb 0.00 -0.07 -0.02 0.00 -1.15 0.00 0.00 33.47 32.23 1ids s TRP 125 CO 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 176.95 176.17 1ids s ALA 126 N -4.00 2.93 -0.01 0.98 0.00 -0.97 -0.45 121.76 120.24 1ids s ALA 126 Ca 0.20 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1ids s ALA 126 Cb 0.03 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1ids s ALA 126 CO 0.03 0.15 0.01 0.00 0.00 0.00 0.00 175.76 175.94 1ids s ALA 127 N 0.49 0.10 -0.20 0.00 0.00 0.42 -1.71 121.76 120.85 1ids s ALA 127 Ca -0.04 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 1ids s ALA 127 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ids s ALA 127 CO 0.03 -0.06 0.31 -1.17 0.00 0.00 0.00 175.76 174.87 1ids s LEU 128 N 0.65 4.16 0.17 0.00 2.96 0.77 -0.27 118.68 127.12 1ids s LEU 128 Ca -0.06 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1ids s LEU 128 Cb -0.08 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 1ids s LEU 128 CO -0.02 0.00 0.16 -0.83 -1.32 0.00 0.00 176.35 174.34 1ids s GLY 129 N 0.92 1.02 -0.22 7.98 0.00 0.76 -0.94 107.32 116.83 1ids s GLY 129 Ca 0.15 -1.40 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 1ids s GLY 129 CO 0.06 -1.23 0.06 0.86 0.00 0.00 0.00 173.10 172.85 1ids s TRP 130 N -4.07 3.12 -0.41 1.90 -0.11 0.28 -0.14 118.94 119.51 1ids s TRP 130 Ca 0.28 -0.28 -0.19 0.00 1.22 0.00 0.00 56.10 57.13 1ids s TRP 130 Cb 0.06 -2.17 0.02 0.00 -1.50 0.00 0.00 33.47 29.88 1ids s TRP 130 CO 0.06 -0.20 0.55 0.34 -4.62 0.00 0.00 176.95 173.08 1ids s ASP 131 N 1.17 6.29 0.22 5.86 2.15 0.16 -1.59 116.67 130.92 1ids s ASP 131 Ca 0.04 -0.33 -0.08 0.00 0.43 0.00 0.00 52.55 52.61 1ids s ASP 131 Cb -0.14 -2.28 0.16 0.00 -0.30 0.00 0.00 42.92 40.36 1ids s ASP 131 CO 0.03 -0.64 1.78 0.71 -0.17 0.00 0.00 175.17 176.88 1ids h THR 132 N 5.76 1.26 0.67 1.71 1.35 -1.86 0.46 112.91 122.26 1ids h THR 132 Ca -0.26 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 64.75 1ids h THR 132 Cb 1.11 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1ids h THR 132 CO 0.83 0.34 -0.36 0.25 -0.25 0.00 0.00 175.52 176.33 1ids h LEU 133 N 1.18 -0.89 -0.16 3.87 5.85 -1.92 -3.20 115.31 120.04 1ids h LEU 133 Ca 0.27 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1ids h LEU 133 Cb 0.20 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ids h LEU 133 CO -0.02 -0.58 -0.32 0.61 -0.34 0.00 0.00 178.44 177.78 1ids n GLY 134 N -1.48 -1.07 3.28 3.75 0.00 -1.24 -4.95 105.19 103.49 1ids n GLY 134 Ca -0.12 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.20 -6.28 -4.01 1.61 5.03 0.15 -5.02 115.26 105.54 1ids n ASN 135 Ca 0.09 -0.72 -0.08 0.00 0.87 0.00 0.00 54.58 54.74 1ids n ASN 135 Cb 0.33 -5.14 -0.11 0.00 -1.02 0.00 0.00 39.78 33.85 1ids n ASN 135 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ids s LYS 136 N -4.52 0.44 -0.22 3.52 1.02 -0.81 -4.95 119.74 114.22 1ids s LYS 136 Ca 0.43 -0.83 -0.20 0.00 0.02 0.00 0.00 55.97 55.39 1ids s LYS 136 Cb -0.06 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1ids s LYS 136 CO 0.74 -0.08 0.62 -0.51 -0.92 0.00 0.00 175.35 175.21 1ids s LEU 137 N -2.01 4.12 0.06 3.17 1.43 -1.26 0.39 118.68 124.57 1ids s LEU 137 Ca -0.07 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 1ids s LEU 137 Cb -0.03 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 1ids s LEU 137 CO -0.04 -0.30 -0.08 -0.76 0.23 0.00 0.00 176.35 175.40 1ids s LEU 138 N 2.10 2.31 -0.12 1.79 1.43 0.80 -4.97 118.68 122.01 1ids s LEU 138 Ca 0.28 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1ids s LEU 138 Cb -0.16 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1ids s LEU 138 CO 0.10 -0.25 0.09 -0.63 0.23 0.00 0.00 176.35 175.89 1ids s ILE 139 N -1.84 5.10 0.04 -0.59 1.01 -1.26 -0.17 121.20 123.49 1ids s ILE 139 Ca -0.05 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1ids s ILE 139 Cb -0.07 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1ids s ILE 139 CO -0.01 0.58 -0.18 -0.36 0.00 0.00 0.00 174.94 174.98 1ids s PHE 140 N -0.71 1.54 -0.57 3.97 0.08 0.63 -4.97 117.98 117.95 1ids s PHE 140 Ca 0.12 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 56.67 1ids s PHE 140 Cb -0.12 -0.92 0.14 0.00 -0.57 0.00 0.00 43.02 41.55 1ids s PHE 140 CO 0.03 0.07 0.51 -1.14 -0.10 0.00 0.00 175.22 174.58 1ids s GLN 141 N -1.14 2.98 0.02 0.44 0.74 -1.26 -0.44 119.66 120.99 1ids s GLN 141 Ca 0.05 -1.83 -0.29 0.00 0.05 0.00 0.00 55.36 53.34 1ids s GLN 141 Cb -0.08 -4.25 -0.04 0.00 1.10 0.00 0.00 33.01 29.74 1ids s GLN 141 CO 0.01 -1.30 0.94 0.08 -0.55 0.00 0.00 175.29 174.47 1ids s VAL 142 N 1.35 4.81 -0.13 1.34 1.01 0.40 -4.71 120.40 124.47 1ids s VAL 142 Ca 0.06 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.89 1ids s VAL 142 Cb -0.27 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1ids s VAL 142 CO 0.01 0.21 0.28 -0.31 0.00 0.00 0.00 175.10 175.28 1ids s TYR 143 N 0.75 3.53 0.00 5.22 2.02 -0.25 -0.73 117.35 127.89 1ids s TYR 143 Ca 0.49 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1ids s TYR 143 Cb -0.21 -2.26 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1ids s TYR 143 CO 0.27 0.39 0.00 -0.25 -1.57 0.00 0.00 175.55 174.39 1ids n ASP 144 N 3.02 0.00 0.00 2.29 8.00 0.15 -2.82 116.55 127.19 1ids n ASP 144 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 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 13.65 0.00 -1.69 1.24 8.25 -1.26 -4.02 115.22 131.39 1ids n HIS 145 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1ids n HIS 145 Cb 0.00 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.32 2.23 -3.84 -0.41 0.00 -1.23 -4.79 117.38 108.02 1ids n GLN 146 Ca 0.00 -3.54 -0.12 0.00 0.00 0.00 0.00 57.00 53.35 1ids n GLN 146 Cb 0.25 -1.86 -0.10 0.00 0.00 0.00 0.00 30.24 28.53 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 -3.67 0.06 0.00 -0.39 2.01 -1.13 -4.94 115.64 107.58 1ids s THR 147 Ca 0.43 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1ids s THR 147 Cb 0.39 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.50 1ids s THR 147 CO -0.03 -0.26 0.00 -3.20 -0.69 0.00 0.00 174.62 170.44 1ids n ASN 148 N 1.86 -0.52 -3.50 3.53 5.15 -1.26 -1.09 115.26 119.43 1ids n ASN 148 Ca -0.20 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.66 1ids n ASN 148 Cb 0.56 -0.18 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 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 -2.16 -0.44 0.64 1.20 -0.12 -1.26 -4.54 117.98 111.30 1ids s PHE 149 Ca 0.00 0.26 -0.06 0.00 -0.05 0.00 0.00 56.93 57.08 1ids s PHE 149 Cb 0.00 0.44 0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1ids s PHE 149 CO 0.00 -0.77 0.95 -1.25 -0.05 0.00 0.00 175.22 174.10 1ids s PRO 150 N -3.47 2.63 0.54 1.99 0.04 -1.26 -5.07 135.00 130.41 1ids s PRO 150 Ca 0.00 -0.11 -0.19 0.00 0.04 0.00 0.00 61.00 60.75 1ids s PRO 150 Cb -0.00 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1ids s PRO 150 CO -0.10 -0.92 1.08 -0.51 0.04 0.00 0.00 177.00 176.59 1ids s LEU 151 N -5.09 3.70 0.00 -3.56 1.43 -1.26 -3.64 118.68 110.26 1ids s LEU 151 Ca 0.56 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 1ids s LEU 151 Cb -0.11 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1ids s LEU 151 CO 0.45 -1.08 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1ids n GLY 152 N -0.31 0.59 3.73 -3.19 0.00 -1.26 -5.01 105.19 99.74 1ids n GLY 152 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.45 4.44 -0.30 -0.61 -1.09 -1.24 -4.43 121.20 115.51 1ids s ILE 153 Ca 0.00 2.07 -0.13 0.00 -2.23 0.00 0.00 60.65 60.36 1ids s ILE 153 Cb 0.00 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1ids s ILE 153 CO 0.00 0.34 0.26 -0.69 -1.23 0.00 0.00 174.94 173.62 1ids s VAL 154 N -0.14 5.26 0.24 2.92 1.01 -0.62 -4.91 120.40 124.15 1ids s VAL 154 Ca 0.46 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1ids s VAL 154 Cb -0.24 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1ids s VAL 154 CO 0.30 0.12 0.98 -2.16 0.00 0.00 0.00 175.10 174.34 1ids s PRO 155 N 1.85 4.79 -0.03 2.72 0.04 -1.26 -0.55 135.00 142.55 1ids s PRO 155 Ca 0.09 1.57 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 1ids s PRO 155 Cb -0.16 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1ids s PRO 155 CO 0.11 0.41 -0.03 1.28 0.04 0.00 0.00 177.00 178.81 1ids n LEU 156 N 1.57 1.87 -3.74 -3.56 4.77 -0.12 -4.94 117.00 112.85 1ids n LEU 156 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 1ids n LEU 156 Cb 0.47 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1ids n LEU 156 CO 0.51 0.35 -0.31 -0.22 -1.33 0.00 0.00 177.39 176.38 1ids s LEU 157 N -5.54 0.72 0.06 2.23 2.96 -1.16 -4.62 118.68 113.32 1ids s LEU 157 Ca -0.03 0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.09 1ids s LEU 157 Cb 0.01 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.70 1ids s LEU 157 CO 0.05 -0.17 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.91 1ids s LEU 158 N 1.42 2.20 -0.26 -0.68 1.43 -1.26 -0.16 118.68 121.37 1ids s LEU 158 Ca -0.05 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1ids s LEU 158 Cb -0.12 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 45.00 1ids s LEU 158 CO -0.04 0.21 0.02 -0.22 0.23 0.00 0.00 176.35 176.55 1ids s LEU 159 N -1.38 2.39 -0.37 1.79 2.96 -0.69 -4.87 118.68 118.51 1ids s LEU 159 Ca 0.11 -1.32 -0.28 0.00 -0.22 0.00 0.00 54.13 52.41 1ids s LEU 159 Cb -0.10 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 1ids s LEU 159 CO 0.03 -0.31 1.65 -0.62 -1.32 0.00 0.00 176.35 175.77 1ids s ASP 160 N 1.51 6.05 -0.14 3.68 -1.08 -1.26 -2.29 116.67 123.15 1ids s ASP 160 Ca 0.01 1.09 0.16 0.00 -0.52 0.00 0.00 52.55 53.30 1ids s ASP 160 Cb -0.18 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.41 1ids s ASP 160 CO -0.12 -1.62 1.58 0.23 0.52 0.00 0.00 175.17 175.76 1ids n MET 161 N 8.31 3.75 -2.48 4.34 2.81 0.16 -4.82 117.12 129.19 1ids n MET 161 Ca 0.20 -2.86 -0.37 0.00 -1.81 0.00 0.00 57.70 52.87 1ids n MET 161 Cb 0.47 -1.90 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.14 3.21 0.42 2.03 0.52 -1.18 -4.20 118.94 117.60 1ids s TRP 162 Ca 0.47 1.62 0.18 0.00 0.02 0.00 0.00 56.10 58.39 1ids s TRP 162 Cb 0.33 -3.19 1.09 0.00 -1.15 0.00 0.00 33.47 30.55 1ids s TRP 162 CO 0.19 -0.80 1.87 0.93 0.02 0.00 0.00 176.95 179.15 1ids h GLU 163 N 2.49 0.39 0.00 4.98 5.08 -1.93 -0.54 114.58 125.04 1ids h GLU 163 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1ids h GLU 163 Cb 1.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ids h GLU 163 CO 0.62 0.26 0.00 -2.39 -1.00 0.00 0.00 179.01 176.50 1ids n HIS 164 N -4.50 0.62 0.61 4.33 1.44 -1.26 -1.16 115.22 115.30 1ids n HIS 164 Ca 0.19 0.26 0.13 0.00 -2.01 0.00 0.00 57.72 56.28 1ids n HIS 164 Cb 0.68 -0.91 0.38 0.00 0.12 0.00 0.00 29.99 30.26 1ids n HIS 164 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ids n ALA 165 N -1.71 2.32 -0.18 1.59 0.00 -0.21 -4.50 120.51 117.81 1ids n ALA 165 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ids n ALA 165 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ids n ALA 165 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ids n PHE 166 N -2.28 0.00 -0.06 0.00 1.16 -1.02 -5.00 117.46 110.27 1ids n PHE 166 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.51 1ids n PHE 166 Cb 0.43 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.24 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 -1.36 -1.01 2.97 5.03 -1.31 0.34 116.97 121.62 1ids h TYR 167 Ca 0.00 0.06 0.25 0.00 2.58 0.00 0.00 58.73 61.62 1ids h TYR 167 Cb 0.00 0.63 -0.13 0.00 1.55 0.00 0.00 36.73 38.79 1ids h TYR 167 CO 0.00 -0.48 0.60 -0.07 -1.32 0.00 0.00 178.16 176.88 1ids h LEU 168 N -0.45 0.66 0.00 2.82 3.38 -1.88 0.49 115.31 120.33 1ids h LEU 168 Ca 0.09 0.14 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1ids h LEU 168 Cb 0.62 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1ids h LEU 168 CO -0.48 0.09 -1.10 1.67 0.09 0.00 0.00 178.44 178.70 1ids n GLN 169 N -4.89 0.52 0.05 1.13 7.27 -1.08 -4.64 117.38 115.74 1ids n GLN 169 Ca 0.27 0.45 0.12 0.00 0.07 0.00 0.00 57.00 57.90 1ids n GLN 169 Cb 0.77 -1.63 0.06 0.00 2.41 0.00 0.00 30.24 31.85 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 -4.48 0.44 0.00 3.69 4.01 0.12 -5.04 117.16 115.89 1ids n TYR 170 Ca -0.22 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1ids n TYR 170 Cb 0.52 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1ids n TYR 170 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ids n LYS 171 N -2.10 0.00 0.14 -0.72 4.01 0.17 -2.50 118.16 117.15 1ids n LYS 171 Ca 0.02 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.94 1ids n LYS 171 Cb 0.45 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.07 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 -0.52 4.39 -1.07 -1.92 -3.38 115.58 113.08 1ids h ASN 172 Ca 0.00 -0.02 -0.62 0.00 0.07 0.00 0.00 56.30 55.73 1ids h ASN 172 Cb 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 1ids h ASN 172 CO 0.00 0.01 2.19 0.52 0.07 0.00 0.00 177.43 180.23 1ids n VAL 173 N -2.74 3.26 0.23 6.14 0.31 -1.04 -4.77 118.33 119.72 1ids n VAL 173 Ca 0.02 -3.24 0.07 0.00 -0.01 0.00 0.00 64.34 61.18 1ids n VAL 173 Cb 0.53 -2.37 0.56 0.00 -0.91 0.00 0.00 33.84 31.65 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 7.68 0.00 0.00 5.55 2.10 -1.85 -2.97 116.57 127.08 1ids h LYS 174 Ca 0.43 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.06 1ids h LYS 174 Cb 0.82 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1ids h LYS 174 CO 1.55 0.17 -0.09 -0.39 -2.00 0.00 0.00 179.45 178.70 1ids h VAL 175 N 0.00 0.20 0.01 0.07 -1.51 -1.95 -1.97 116.25 111.10 1ids h VAL 175 Ca -0.00 -0.84 -0.21 0.00 -1.23 0.00 0.00 66.70 64.42 1ids h VAL 175 Cb 0.34 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1ids h VAL 175 CO 0.02 0.08 -0.92 0.44 -1.23 0.00 0.00 177.57 175.97 1ids h ASP 176 N 0.00 0.32 -0.39 4.19 5.19 -1.93 -2.40 116.42 121.41 1ids h ASP 176 Ca -0.00 -0.27 -0.16 0.00 -0.62 0.00 0.00 57.03 55.98 1ids h ASP 176 Cb 0.70 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1ids h ASP 176 CO 0.01 1.08 -0.37 0.15 -3.12 0.00 0.00 179.24 176.99 1ids h PHE 177 N 0.13 1.12 -0.05 4.55 3.57 -1.61 -1.52 116.94 123.13 1ids h PHE 177 Ca -0.06 -0.33 -0.11 0.00 3.53 0.00 0.00 57.97 61.01 1ids h PHE 177 Cb 1.56 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1ids h PHE 177 CO 0.04 1.16 -0.46 0.00 -2.23 0.00 0.00 178.31 176.82 1ids h ALA 178 N 0.79 1.15 0.06 2.41 0.00 -1.33 -2.57 119.26 119.77 1ids h ALA 178 Ca 0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 1ids h ALA 178 Cb 0.96 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.69 1ids h ALA 178 CO 0.09 0.60 -1.12 0.87 0.00 0.00 0.00 179.25 179.69 1ids h LYS 179 N 0.10 0.53 -0.83 0.00 1.57 -1.32 -3.30 116.57 113.31 1ids h LYS 179 Ca 0.00 -0.66 -0.03 0.00 -1.87 0.00 0.00 60.65 58.10 1ids h LYS 179 Cb 0.85 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1ids h LYS 179 CO 0.06 1.27 0.40 0.00 -0.57 0.00 0.00 179.45 180.61 1ids h ALA 180 N 0.48 1.14 -1.04 3.86 0.00 -1.08 -3.16 119.26 119.46 1ids h ALA 180 Ca -0.14 -0.16 0.34 0.00 0.00 0.00 0.00 54.91 54.96 1ids h ALA 180 Cb 1.78 -0.33 -0.15 0.00 0.00 0.00 0.00 17.79 19.09 1ids h ALA 180 CO 0.21 0.65 0.60 0.35 0.00 0.00 0.00 179.25 181.06 1ids h PHE 181 N 1.18 0.86 0.00 0.00 3.57 -1.54 -0.12 116.94 120.90 1ids h PHE 181 Ca 0.29 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1ids h PHE 181 Cb 0.11 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ids h PHE 181 CO 0.01 -0.21 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.34 1ids h TRP 182 N 0.26 0.00 0.00 0.41 4.06 -1.73 -2.26 115.95 116.69 1ids h TRP 182 Ca 0.75 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.70 1ids h TRP 182 Cb 1.84 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.00 1ids h TRP 182 CO -0.01 0.06 0.00 -0.91 -3.56 0.00 0.00 178.44 174.02 1ids h ASN 183 N 0.00 0.00 0.00 -3.49 2.35 -1.22 -3.30 115.58 109.92 1ids h ASN 183 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ids h ASN 183 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ids h ASN 183 CO 0.01 0.00 -0.04 1.33 -1.65 0.00 0.00 177.43 177.08 1ids n VAL 184 N -2.43 1.35 -2.22 2.81 0.24 -0.86 -3.71 118.33 113.50 1ids n VAL 184 Ca 0.05 -1.56 -0.42 0.00 -2.04 0.00 0.00 64.34 60.37 1ids n VAL 184 Cb 0.42 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.89 3.36 -1.01 3.34 1.01 -1.14 -1.21 120.40 122.86 1ids s VAL 185 Ca 0.17 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 1ids s VAL 185 Cb 0.15 -3.65 0.21 0.00 0.00 0.00 0.00 36.38 33.09 1ids s VAL 185 CO 0.02 0.10 1.08 0.21 0.00 0.00 0.00 175.10 176.51 1ids s ASN 186 N 0.84 6.98 0.65 3.32 2.47 0.17 -0.29 114.94 129.07 1ids s ASN 186 Ca 0.61 -2.92 0.42 0.00 0.42 0.00 0.00 52.86 51.40 1ids s ASN 186 Cb -0.36 -2.28 2.27 0.00 -1.45 0.00 0.00 41.25 39.42 1ids s ASN 186 CO 0.33 -0.61 2.32 -0.50 -3.72 0.00 0.00 177.10 174.92 1ids h TRP 187 N 7.50 0.00 -0.26 0.43 4.06 -1.86 -2.01 115.95 123.82 1ids h TRP 187 Ca 0.18 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.95 1ids h TRP 187 Cb 0.95 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.11 1ids h TRP 187 CO 0.99 0.00 -0.56 0.00 -3.56 0.00 0.00 178.44 175.32 1ids h ALA 188 N 2.00 0.51 -0.34 1.49 0.00 -1.96 -0.45 119.26 120.51 1ids h ALA 188 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1ids h ALA 188 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ids h ALA 188 CO 0.00 0.68 -0.26 0.22 0.00 0.00 0.00 179.25 179.90 1ids h ASP 189 N 0.62 0.81 -0.20 0.00 3.58 -1.67 -2.16 116.42 117.40 1ids h ASP 189 Ca 0.01 -0.44 -0.10 0.00 0.42 0.00 0.00 57.03 56.92 1ids h ASP 189 Cb 1.15 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 1ids h ASP 189 CO 0.12 1.08 -0.20 0.58 -2.88 0.00 0.00 179.24 177.94 1ids h VAL 190 N 0.54 1.26 -0.62 2.25 2.07 -1.46 -1.51 116.25 118.78 1ids h VAL 190 Ca 0.06 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 1ids h VAL 190 Cb 0.82 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1ids h VAL 190 CO 0.07 0.41 0.03 1.56 0.02 0.00 0.00 177.57 179.66 1ids h GLN 191 N 0.57 1.07 -0.62 1.57 4.20 -0.99 -1.19 115.11 119.72 1ids h GLN 191 Ca 0.09 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1ids h GLN 191 Cb 0.66 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1ids h GLN 191 CO 0.05 1.02 0.02 1.03 -0.67 0.00 0.00 178.83 180.28 1ids h SER 192 N 0.98 1.05 -0.32 1.46 0.87 -1.14 -1.94 113.55 114.53 1ids h SER 192 Ca 0.18 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 1ids h SER 192 Cb 0.52 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1ids h SER 192 CO 0.02 1.09 -0.14 0.03 -0.53 0.00 0.00 176.83 177.30 1ids h ARG 193 N 0.99 0.65 -0.61 2.24 3.08 -1.00 -2.54 114.38 117.19 1ids h ARG 193 Ca 0.18 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1ids h ARG 193 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1ids h ARG 193 CO 0.03 0.86 0.19 -0.92 -1.07 0.00 0.00 179.97 179.06 1ids h TYR 194 N 0.42 0.99 -0.60 3.04 3.20 -1.14 -0.73 116.97 122.14 1ids h TYR 194 Ca 0.07 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1ids h TYR 194 Cb 0.66 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1ids h TYR 194 CO 0.06 0.82 0.19 0.00 -1.64 0.00 0.00 178.16 177.58 1ids h ALA 195 N 1.06 1.21 -0.04 1.82 0.00 -1.30 -0.51 119.26 121.51 1ids h ALA 195 Ca 0.20 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1ids h ALA 195 Cb 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ids h ALA 195 CO -0.01 0.56 -0.82 0.00 0.00 0.00 0.00 179.25 178.98 1ids h ALA 196 N 1.33 0.51 -0.26 0.00 0.00 -1.19 -2.95 119.26 116.69 1ids h ALA 196 Ca 0.20 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1ids h ALA 196 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ids h ALA 196 CO -0.01 0.80 -0.57 0.00 0.00 0.00 0.00 179.25 179.48 1ids h ALA 197 N 0.88 0.42 0.00 0.00 0.00 -0.73 -3.14 119.26 116.69 1ids h ALA 197 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ids h ALA 197 Cb 1.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ids h ALA 197 CO 0.14 0.65 0.00 0.25 0.00 0.00 0.00 179.25 180.29 1ids n THR 198 N -4.02 0.68 1.09 0.00 -2.24 -0.24 -5.06 114.28 104.49 1ids n THR 198 Ca -0.05 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 1ids n THR 198 Cb 0.64 -0.83 0.17 0.00 -2.10 0.00 0.00 70.33 68.21 1ids n THR 198 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30