#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihc h GLN 3 N 0.00 0.49 -0.66 1.43 4.15 -2.02 -3.23 115.11 115.26 3ihc h GLN 3 Ca 0.00 -0.44 0.06 0.00 0.77 0.00 0.00 58.65 59.04 3ihc h GLN 3 Cb 0.00 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 3ihc h GLN 3 CO 0.00 1.08 0.36 0.66 -1.93 0.00 0.00 178.83 178.99 3ihc h SER 4 N 0.31 0.52 -0.62 -0.69 4.64 -2.05 -2.53 113.55 113.13 3ihc h SER 4 Ca -0.05 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3ihc h SER 4 Cb 1.42 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 3ihc h SER 4 CO 0.15 0.33 0.15 0.78 -0.87 0.00 0.00 176.83 177.37 3ihc h ASN 5 N 0.66 0.96 -0.60 4.97 2.35 -1.98 -1.65 115.58 120.28 3ihc h ASN 5 Ca 0.30 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3ihc h ASN 5 Cb 0.21 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3ihc h ASN 5 CO -0.19 0.93 0.31 -0.09 -1.65 0.00 0.00 177.43 176.74 3ihc h ARG 6 N 0.97 0.85 -0.55 0.81 1.12 -1.53 -1.39 114.38 114.65 3ihc h ARG 6 Ca 0.20 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 3ihc h ARG 6 Cb 0.35 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.13 3ihc h ARG 6 CO 0.00 0.66 0.32 1.49 -3.11 0.00 0.00 179.97 179.33 3ihc h GLU 7 N 0.82 0.75 0.09 0.20 4.81 -1.28 -0.51 114.58 119.46 3ihc h GLU 7 Ca 0.21 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3ihc h GLU 7 Cb 0.08 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ihc h GLU 7 CO -0.03 0.56 -0.04 1.25 -0.73 0.00 0.00 179.01 180.02 3ihc h LEU 8 N 0.74 -0.10 -0.23 1.64 6.46 -0.97 0.81 115.31 123.66 3ihc h LEU 8 Ca 0.20 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 3ihc h LEU 8 Cb 0.01 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 39.90 3ihc h LEU 8 CO -0.03 0.04 -0.33 0.58 -0.62 0.00 0.00 178.44 178.08 3ihc h VAL 9 N -0.24 0.26 -0.84 1.05 2.07 -1.14 -1.35 116.25 116.07 3ihc h VAL 9 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ihc h VAL 9 Cb 0.20 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3ihc h VAL 9 CO 0.02 0.00 0.54 0.58 0.02 0.00 0.00 177.57 178.73 3ihc h VAL 10 N -0.35 1.14 -0.49 2.57 2.07 -0.96 -0.39 116.25 119.85 3ihc h VAL 10 Ca 0.12 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ihc h VAL 10 Cb 0.54 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3ihc h VAL 10 CO -0.42 0.19 0.31 -0.78 0.02 0.00 0.00 177.57 176.89 3ihc h ASP 11 N 1.05 0.58 -0.47 0.57 3.58 -0.59 -0.60 116.42 120.54 3ihc h ASP 11 Ca 0.33 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.63 3ihc h ASP 11 Cb -0.00 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3ihc h ASP 11 CO -0.11 0.45 -0.15 0.15 -2.88 0.00 0.00 179.24 176.70 3ihc h PHE 12 N 0.66 1.04 -0.39 0.28 3.04 -0.58 -1.09 116.94 119.90 3ihc h PHE 12 Ca 0.18 -0.24 -0.11 0.00 3.98 0.00 0.00 57.97 61.78 3ihc h PHE 12 Cb -0.04 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 3ihc h PHE 12 CO -0.03 1.02 -0.18 -0.07 -2.02 0.00 0.00 178.31 177.03 3ihc h LEU 13 N 0.77 0.84 -0.58 0.59 3.38 -0.93 -1.67 115.31 117.71 3ihc h LEU 13 Ca 0.11 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3ihc h LEU 13 Cb 0.70 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ihc h LEU 13 CO 0.05 1.06 0.23 0.28 0.09 0.00 0.00 178.44 180.15 3ihc h SER 14 N 0.63 0.80 -0.21 -0.43 0.02 -1.06 -1.17 113.55 112.13 3ihc h SER 14 Ca 0.09 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3ihc h SER 14 Cb 0.74 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.01 3ihc h SER 14 CO 0.06 0.76 -0.15 0.22 -1.14 0.00 0.00 176.83 176.57 3ihc h TYR 15 N 0.80 -0.37 -0.43 3.45 3.20 -1.13 -0.26 116.97 122.22 3ihc h TYR 15 Ca 0.19 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 3ihc h TYR 15 Cb 0.21 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3ihc h TYR 15 CO 0.01 -0.22 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.07 3ihc h LYS 16 N -0.15 0.78 -0.38 1.82 1.63 -1.08 -1.22 116.57 117.97 3ihc h LYS 16 Ca 0.12 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3ihc h LYS 16 Cb 0.33 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3ihc h LYS 16 CO -0.30 0.86 0.24 -0.07 -3.45 0.00 0.00 179.45 176.74 3ihc h LEU 17 N 0.62 0.41 -0.15 5.20 3.38 -1.15 -1.90 115.31 121.72 3ihc h LEU 17 Ca 0.12 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3ihc h LEU 17 Cb 0.53 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3ihc h LEU 17 CO 0.03 0.30 -0.05 -1.28 0.09 0.00 0.00 178.44 177.52 3ihc h SER 18 N 0.50 -0.19 -0.58 -0.43 0.87 -0.87 0.19 113.55 113.04 3ihc h SER 18 Ca 0.14 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3ihc h SER 18 Cb -0.04 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3ihc h SER 18 CO -0.04 -0.07 0.38 -0.61 -0.53 0.00 0.00 176.83 175.95 3ihc h GLN 19 N -0.03 0.76 -0.34 2.24 4.15 -1.05 -1.58 115.11 119.26 3ihc h GLN 19 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3ihc h GLN 19 Cb 0.14 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3ihc h GLN 19 CO -0.17 0.51 0.00 1.63 -1.93 0.00 0.00 178.83 178.87 3ihc n LYS 20 N -4.45 2.26 0.00 1.69 5.02 -0.73 -4.92 118.16 117.03 3ihc n LYS 20 Ca 0.06 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 3ihc n LYS 20 Cb 0.05 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3ihc n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ihc n GLY 21 N 1.38 1.09 3.71 0.72 0.00 -0.60 -5.06 105.19 106.43 3ihc n GLY 21 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3ihc n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ihc s TYR 22 N -2.00 2.69 0.27 1.61 2.02 0.60 -5.02 117.35 117.53 3ihc s TYR 22 Ca 0.00 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 3ihc s TYR 22 Cb 0.00 -1.54 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 3ihc s TYR 22 CO 0.00 0.41 1.10 0.45 -1.57 0.00 0.00 175.55 175.94 3ihc s SER 23 N -3.80 7.26 -0.02 2.29 0.15 -1.26 -3.69 113.70 114.64 3ihc s SER 23 Ca 0.36 2.27 0.20 0.00 0.70 0.00 0.00 55.95 59.48 3ihc s SER 23 Cb -0.03 -2.63 0.60 0.00 -1.71 0.00 0.00 66.02 62.26 3ihc s SER 23 CO 0.22 -0.15 1.50 -2.67 1.20 0.00 0.00 173.24 173.34 3ihc n TRP 24 N 1.27 0.96 -1.86 3.44 2.14 -1.26 -4.75 117.44 117.38 3ihc n TRP 24 Ca -0.01 -0.52 -0.40 0.00 2.07 0.00 0.00 57.50 58.64 3ihc n TRP 24 Cb 0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 30.90 3ihc n TRP 24 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 3ihc n SER 25 N 1.38 7.35 0.00 -0.67 7.64 -1.26 -4.32 113.62 123.74 3ihc n SER 25 Ca 0.23 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 57.14 3ihc n SER 25 Cb 0.63 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3ihc n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ihc n GLN 26 N 2.95 2.91 0.00 1.43 1.13 -1.26 -5.17 117.38 119.37 3ihc n GLN 26 Ca 0.62 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 3ihc n GLN 26 Cb 0.27 -0.67 0.00 0.00 0.11 0.00 0.00 30.24 29.96 3ihc n GLN 26 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3ihc n PHE 27 N -0.47 0.00 -1.61 1.08 3.72 -1.26 -4.11 117.46 114.81 3ihc n PHE 27 Ca 0.00 0.00 -0.63 0.00 -0.05 0.00 0.00 57.45 56.77 3ihc n PHE 27 Cb 0.01 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 3ihc n PHE 27 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ihc n PRO 82 N 0.00 0.02 0.07 -1.08 -0.05 -1.26 -5.03 135.00 127.67 3ihc n PRO 82 Ca 0.00 0.01 0.01 0.00 -0.05 0.00 0.00 63.50 63.47 3ihc n PRO 82 Cb 0.00 -1.51 0.34 0.00 -0.05 0.00 0.00 33.50 32.28 3ihc n PRO 82 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 175.50 177.43 3ihc h MET 83 N 3.90 0.35 -0.66 0.54 4.05 -2.03 -2.80 114.93 118.27 3ihc h MET 83 Ca -0.48 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 58.87 3ihc h MET 83 Cb 1.40 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.12 3ihc h MET 83 CO 0.79 0.46 0.44 0.00 0.23 0.00 0.00 176.91 178.83 3ihc h ALA 84 N 1.57 0.85 -0.16 0.39 0.00 -2.05 -0.80 119.26 119.06 3ihc h ALA 84 Ca 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3ihc h ALA 84 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ihc h ALA 84 CO 0.02 0.25 -0.60 0.00 0.00 0.00 0.00 179.25 178.93 3ihc h ALA 85 N 1.25 0.67 -0.38 0.00 0.00 -1.94 -1.71 119.26 117.15 3ihc h ALA 85 Ca 0.25 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3ihc h ALA 85 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ihc h ALA 85 CO -0.06 0.70 0.14 0.28 0.00 0.00 0.00 179.25 180.31 3ihc h VAL 86 N 0.39 1.20 -0.34 0.00 2.07 -1.45 -1.56 116.25 116.56 3ihc h VAL 86 Ca -0.00 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3ihc h VAL 86 Cb 1.15 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3ihc h VAL 86 CO 0.11 0.22 0.21 0.11 0.02 0.00 0.00 177.57 178.24 3ihc h LYS 87 N 0.46 0.41 -0.26 1.57 1.57 -1.07 -1.62 116.57 117.63 3ihc h LYS 87 Ca 0.12 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3ihc h LYS 87 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3ihc h LYS 87 CO -0.01 0.27 0.03 0.37 -0.57 0.00 0.00 179.45 179.54 3ihc h GLN 88 N 0.43 0.44 -0.74 3.15 5.75 -1.26 -0.70 115.11 122.18 3ihc h GLN 88 Ca 0.13 -0.13 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3ihc h GLN 88 Cb -0.01 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.42 3ihc h GLN 88 CO -0.05 0.58 0.41 0.00 -2.65 0.00 0.00 178.83 177.12 3ihc h ALA 89 N 0.84 1.02 -0.34 3.38 0.00 -1.19 -2.03 119.26 120.94 3ihc h ALA 89 Ca 0.08 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3ihc h ALA 89 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ihc h ALA 89 CO 0.01 0.05 -0.21 1.25 0.00 0.00 0.00 179.25 180.35 3ihc h LEU 90 N 0.71 0.76 -0.27 0.00 5.85 -1.08 0.52 115.31 121.80 3ihc h LEU 90 Ca 0.35 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ihc h LEU 90 Cb 0.29 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3ihc h LEU 90 CO -0.23 1.02 -0.11 0.03 -0.34 0.00 0.00 178.44 178.82 3ihc h ARG 91 N 0.51 -0.06 -0.68 1.25 3.08 -0.86 -1.08 114.38 116.53 3ihc h ARG 91 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3ihc h ARG 91 Cb 0.76 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3ihc h ARG 91 CO 0.06 -0.04 0.39 0.93 -1.07 0.00 0.00 179.97 180.24 3ihc h GLU 92 N -0.06 0.94 -0.44 0.04 5.08 -1.23 -2.19 114.58 116.73 3ihc h GLU 92 Ca 0.14 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3ihc h GLU 92 Cb 0.27 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ihc h GLU 92 CO -0.32 0.69 0.17 0.00 -1.00 0.00 0.00 179.01 178.56 3ihc h ALA 93 N 1.20 0.57 -0.93 3.43 0.00 -0.53 -0.51 119.26 122.48 3ihc h ALA 93 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ihc h ALA 93 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3ihc h ALA 93 CO -0.04 0.18 0.57 0.78 0.00 0.00 0.00 179.25 180.74 3ihc h GLY 94 N 0.56 1.35 0.91 0.00 0.00 -1.15 0.70 103.07 105.44 3ihc h GLY 94 Ca 0.15 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3ihc h GLY 94 CO -0.01 0.53 0.10 -0.55 0.00 0.00 0.00 176.54 176.61 3ihc h ASP 95 N 1.28 0.48 -0.74 0.19 3.32 -0.84 -0.56 116.42 119.54 3ihc h ASP 95 Ca 0.34 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3ihc h ASP 95 Cb -0.07 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3ihc h ASP 95 CO -0.06 0.56 0.45 -0.33 -1.72 0.00 0.00 179.24 178.13 3ihc h GLU 96 N 0.37 0.83 -0.46 3.56 4.39 -0.94 -2.25 114.58 120.08 3ihc h GLU 96 Ca 0.11 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3ihc h GLU 96 Cb 0.25 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3ihc h GLU 96 CO -0.00 0.55 0.23 0.35 -1.16 0.00 0.00 179.01 178.98 3ihc h PHE 97 N 0.86 0.65 0.00 4.33 3.04 -0.54 -2.80 116.94 122.48 3ihc h PHE 97 Ca 0.31 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 3ihc h PHE 97 Cb 0.10 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3ihc h PHE 97 CO -0.05 0.52 -0.39 0.93 -2.02 0.00 0.00 178.31 177.30 3ihc h GLU 98 N 0.60 0.00 -0.09 1.11 5.08 -0.91 -0.48 114.58 119.89 3ihc h GLU 98 Ca 0.16 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 3ihc h GLU 98 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ihc h GLU 98 CO -0.02 0.39 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.63 3ihc h LEU 99 N 0.00 0.46 -0.13 1.33 3.38 -1.33 -3.27 115.31 115.76 3ihc h LEU 99 Ca -0.00 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3ihc h LEU 99 Cb 0.93 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ihc h LEU 99 CO 0.05 1.01 -0.15 -0.09 0.09 0.00 0.00 178.44 179.35 3ihc h ARG 100 N 0.28 0.33 -4.62 1.13 9.65 -1.21 -3.41 114.38 116.53 3ihc h ARG 100 Ca -0.02 -0.18 -0.67 0.00 -1.10 0.00 0.00 59.98 58.01 3ihc h ARG 100 Cb 1.23 0.01 -0.38 0.00 -1.39 0.00 0.00 29.97 29.44 3ihc h ARG 100 CO 0.12 0.74 -0.66 0.71 2.80 0.00 0.00 179.97 183.67 3ihc s TYR 101 N -4.23 3.70 -0.49 2.20 2.02 -0.22 -4.99 117.35 115.34 3ihc s TYR 101 Ca -0.14 -2.79 0.24 0.00 -0.37 0.00 0.00 57.07 54.01 3ihc s TYR 101 Cb 0.05 -3.01 0.30 0.00 -0.40 0.00 0.00 41.96 38.90 3ihc s TYR 101 CO 0.75 -0.96 1.34 0.00 -1.57 0.00 0.00 175.55 175.12 3ihc h ARG 102 N 7.76 0.00 0.00 -0.62 3.08 -1.80 -3.40 114.38 119.40 3ihc h ARG 102 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ihc h ARG 102 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3ihc h ARG 102 CO 0.58 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 182.37 3ihc n ARG 103 N -2.48 0.21 -3.70 0.04 -4.01 -1.26 -4.86 116.66 100.61 3ihc n ARG 103 Ca 0.03 0.11 -0.28 0.00 -1.04 0.00 0.00 57.85 56.67 3ihc n ARG 103 Cb 0.49 -1.50 0.03 0.00 -3.04 0.00 0.00 32.46 28.44 3ihc n ARG 103 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3ihc n ALA 104 N -1.15 -1.22 -2.31 2.89 0.00 -1.26 -2.33 120.51 115.13 3ihc n ALA 104 Ca 0.06 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 3ihc n ALA 104 Cb 0.06 -4.38 -0.01 0.00 0.00 0.00 0.00 19.45 15.12 3ihc n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ihc n PHE 105 N -4.62 -1.28 -0.31 0.00 3.72 -1.26 -4.84 117.46 108.86 3ihc n PHE 105 Ca 0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.57 3ihc n PHE 105 Cb 0.54 -2.75 0.34 0.00 -0.94 0.00 0.00 39.48 36.66 3ihc n PHE 105 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ihc h SER 106 N 0.00 0.25 0.18 4.37 0.02 -1.88 -0.09 113.55 116.40 3ihc h SER 106 Ca -0.29 0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 3ihc h SER 106 Cb 1.17 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 3ihc h SER 106 CO 0.35 -0.09 -0.61 0.44 -1.14 0.00 0.00 176.83 175.79 3ihc h ASP 107 N 0.31 0.48 -0.20 3.07 3.45 -1.88 -2.44 116.42 119.21 3ihc h ASP 107 Ca 0.59 -0.27 -0.17 0.00 0.43 0.00 0.00 57.03 57.61 3ihc h ASP 107 Cb 1.21 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 3ihc h ASP 107 CO -0.59 0.97 -0.53 0.25 -1.57 0.00 0.00 179.24 177.77 3ihc h LEU 108 N 0.31 0.82 -1.09 1.55 5.85 -1.46 -0.77 115.31 120.51 3ihc h LEU 108 Ca -0.01 -0.57 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 3ihc h LEU 108 Cb 1.14 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3ihc h LEU 108 CO 0.11 1.25 -0.07 0.71 -0.34 0.00 0.00 178.44 180.09 3ihc h THR 109 N 0.43 1.22 -0.57 1.05 1.35 -1.18 -1.10 112.91 114.11 3ihc h THR 109 Ca -0.01 -0.96 -0.09 0.00 -0.55 0.00 0.00 66.41 64.80 3ihc h THR 109 Cb 1.15 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 3ihc h THR 109 CO 0.12 0.32 0.00 0.28 -0.25 0.00 0.00 175.52 175.99 3ihc h SER 110 N 0.52 0.96 -0.32 5.36 0.02 -1.36 -1.24 113.55 117.48 3ihc h SER 110 Ca 0.10 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3ihc h SER 110 Cb 0.45 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3ihc h SER 110 CO 0.02 1.01 -0.03 -0.61 -1.14 0.00 0.00 176.83 176.08 3ihc h GLN 111 N 0.90 0.70 -0.32 3.45 4.15 -0.77 -2.85 115.11 120.38 3ihc h GLN 111 Ca 0.17 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 3ihc h GLN 111 Cb 0.52 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3ihc h GLN 111 CO 0.03 0.74 -0.29 1.25 -1.93 0.00 0.00 178.83 178.63 3ihc h LEU 112 N 0.65 0.80 -2.22 -2.39 6.46 -0.77 -3.48 115.31 114.37 3ihc h LEU 112 Ca 0.13 -0.46 -0.44 0.00 -0.12 0.00 0.00 57.88 56.98 3ihc h LEU 112 Cb 0.45 -0.22 0.03 0.00 -0.73 0.00 0.00 40.66 40.19 3ihc h LEU 112 CO 0.02 1.10 -0.88 1.57 -0.62 0.00 0.00 178.44 179.63 3ihc n HIS 113 N -4.23 -1.84 -2.06 1.25 -0.00 -0.51 -4.86 115.22 102.98 3ihc n HIS 113 Ca -0.03 0.71 -0.40 0.00 -0.00 0.00 0.00 57.72 57.99 3ihc n HIS 113 Cb 0.47 -3.92 -0.01 0.00 -0.00 0.00 0.00 29.99 26.54 3ihc n HIS 113 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3ihc s ILE 114 N -3.71 2.60 0.18 3.57 2.07 -1.26 -4.94 121.20 119.71 3ihc s ILE 114 Ca 0.14 0.58 -0.11 0.00 -1.41 0.00 0.00 60.65 59.85 3ihc s ILE 114 Cb -0.05 -3.36 -0.00 0.00 0.13 0.00 0.00 42.46 39.19 3ihc s ILE 114 CO 0.85 0.11 0.35 0.42 -1.91 0.00 0.00 174.94 174.76 3ihc s THR 115 N -1.19 0.05 -0.48 4.00 -4.23 -1.26 -5.00 115.64 107.52 3ihc s THR 115 Ca 0.53 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 3ihc s THR 115 Cb -0.40 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 71.65 3ihc s THR 115 CO 0.52 -0.22 1.13 -2.65 -0.54 0.00 0.00 174.62 172.86 3ihc n PRO 116 N -0.26 0.05 0.18 3.99 -0.02 -1.26 -0.57 135.00 137.10 3ihc n PRO 116 Ca -0.07 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 3ihc n PRO 116 Cb 0.63 -1.79 0.11 0.00 -0.02 0.00 0.00 33.50 32.43 3ihc n PRO 116 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ihc h GLY 117 N 0.00 0.00 -4.29 -1.23 0.00 -1.97 -3.47 103.07 92.11 3ihc h GLY 117 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3ihc h GLY 117 CO 0.00 0.00 0.85 -1.59 0.00 0.00 0.00 176.54 175.80 3ihc s THR 118 N -3.26 2.27 0.31 4.70 2.01 0.26 -5.03 115.64 116.90 3ihc s THR 118 Ca 0.04 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.34 3ihc s THR 118 Cb 0.07 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3ihc s THR 118 CO 0.71 0.04 0.32 0.00 -0.69 0.00 0.00 174.62 175.00 3ihc s ALA 119 N 0.03 3.90 0.29 7.40 0.00 -1.26 -4.94 121.76 127.17 3ihc s ALA 119 Ca 0.62 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3ihc s ALA 119 Cb -0.46 -1.37 0.65 0.00 0.00 0.00 0.00 23.12 21.94 3ihc s ALA 119 CO 0.46 0.07 1.77 -0.92 0.00 0.00 0.00 175.76 177.13 3ihc h TYR 120 N 1.20 0.92 -0.93 0.00 3.20 -2.00 -1.94 116.97 117.43 3ihc h TYR 120 Ca -0.46 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.57 3ihc h TYR 120 Cb 1.25 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.18 3ihc h TYR 120 CO 0.50 0.20 0.59 1.96 -1.64 0.00 0.00 178.16 179.77 3ihc h GLN 121 N 0.69 0.80 -0.47 1.82 7.50 -1.99 0.18 115.11 123.65 3ihc h GLN 121 Ca 0.53 -0.05 -0.12 0.00 0.50 0.00 0.00 58.65 59.51 3ihc h GLN 121 Cb 0.80 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 3ihc h GLN 121 CO -0.38 0.53 -0.18 0.77 -1.50 0.00 0.00 178.83 178.07 3ihc h SER 122 N 0.83 0.96 0.10 1.46 0.02 -1.76 -2.05 113.55 113.12 3ihc h SER 122 Ca 0.46 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3ihc h SER 122 Cb 0.59 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3ihc h SER 122 CO -0.22 1.13 -0.05 0.15 -1.14 0.00 0.00 176.83 176.70 3ihc h PHE 123 N 0.79 -0.13 -0.63 3.45 3.57 -0.97 -2.70 116.94 120.33 3ihc h PHE 123 Ca 0.11 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.72 3ihc h PHE 123 Cb 0.74 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 3ihc h PHE 123 CO 0.05 0.02 0.19 1.49 -2.23 0.00 0.00 178.31 177.83 3ihc h GLU 124 N -0.25 0.33 -0.92 1.11 4.81 -0.71 -0.17 114.58 118.78 3ihc h GLU 124 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3ihc h GLU 124 Cb 0.21 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3ihc h GLU 124 CO 0.02 0.22 0.54 1.96 -0.73 0.00 0.00 179.01 181.03 3ihc h GLN 125 N 0.34 1.25 -0.01 1.92 1.08 -1.30 0.15 115.11 118.54 3ihc h GLN 125 Ca 0.33 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3ihc h GLN 125 Cb 0.46 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3ihc h GLN 125 CO -0.37 0.88 -0.01 0.28 -0.95 0.00 0.00 178.83 178.66 3ihc h VAL 126 N 1.27 1.45 -0.98 -0.54 2.07 -1.19 -3.20 116.25 115.12 3ihc h VAL 126 Ca 0.33 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 66.59 3ihc h VAL 126 Cb -0.04 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 3ihc h VAL 126 CO -0.06 0.35 0.63 0.58 0.02 0.00 0.00 177.57 179.09 3ihc h VAL 127 N -0.54 1.02 -0.97 2.57 2.07 -0.92 -0.46 116.25 119.03 3ihc h VAL 127 Ca 0.00 -0.37 0.28 0.00 0.82 0.00 0.00 66.70 67.43 3ihc h VAL 127 Cb 0.58 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3ihc h VAL 127 CO 0.00 0.20 0.80 0.78 0.02 0.00 0.00 177.57 179.37 3ihc h ASN 128 N 1.07 0.00 0.15 0.57 -0.26 -0.69 0.27 115.58 116.70 3ihc h ASN 128 Ca 0.45 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.17 3ihc h ASN 128 Cb 0.30 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3ihc h ASN 128 CO -0.20 0.00 -0.06 -0.08 -1.06 0.00 0.00 177.43 176.04 3ihc h GLU 129 N 0.00 0.00 0.00 0.81 4.57 -1.13 -0.63 114.58 118.19 3ihc h GLU 129 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3ihc h GLU 129 Cb 2.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.64 3ihc h GLU 129 CO -0.00 0.06 0.00 -0.07 -1.18 0.00 0.00 179.01 177.81 3ihc h LEU 130 N 0.00 0.00 -3.25 1.64 4.07 -0.61 -3.29 115.31 113.87 3ihc h LEU 130 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 3ihc h LEU 130 Cb 0.15 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.80 3ihc h LEU 130 CO 0.01 0.00 -0.28 0.49 -1.08 0.00 0.00 178.44 177.58 3ihc n PHE 131 N -2.85 0.79 -0.28 1.13 3.72 -0.25 -4.72 117.46 115.00 3ihc n PHE 131 Ca 0.03 -1.63 0.08 0.00 -0.05 0.00 0.00 57.45 55.87 3ihc n PHE 131 Cb 0.39 -0.40 0.23 0.00 -0.94 0.00 0.00 39.48 38.75 3ihc n PHE 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ihc h ARG 132 N 1.09 0.47 -0.65 -1.08 3.08 -1.62 -1.32 114.38 114.34 3ihc h ARG 132 Ca 0.15 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 3ihc h ARG 132 Cb 1.38 -0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.20 3ihc h ARG 132 CO 0.28 0.31 0.23 -0.25 -1.07 0.00 0.00 179.97 179.47 3ihc n ASP 133 N -4.97 4.30 0.00 7.04 8.00 -1.26 -5.05 116.55 124.61 3ihc n ASP 133 Ca 0.17 -3.31 0.00 0.00 0.71 0.00 0.00 54.79 52.36 3ihc n ASP 133 Cb 0.48 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3ihc n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihc n GLY 134 N -0.43 -2.45 3.77 0.44 0.00 -0.50 -4.92 105.19 101.09 3ihc n GLY 134 Ca 0.39 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3ihc n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihc s VAL 135 N -0.81 4.22 0.19 1.61 1.01 -1.26 -4.66 120.40 120.70 3ihc s VAL 135 Ca 0.00 1.86 -0.07 0.00 0.00 0.00 0.00 61.98 63.77 3ihc s VAL 135 Cb 0.00 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3ihc s VAL 135 CO 0.00 0.40 0.27 0.54 0.00 0.00 0.00 175.10 176.31 3ihc s ASN 136 N -1.31 0.06 0.16 3.32 6.03 -1.26 -5.05 114.94 116.89 3ihc s ASN 136 Ca 0.42 -1.07 -0.16 0.00 -1.03 0.00 0.00 52.86 51.02 3ihc s ASN 136 Cb -0.23 0.45 0.06 0.00 -3.03 0.00 0.00 41.25 38.50 3ihc s ASN 136 CO 0.28 -0.93 1.78 -0.50 -2.03 0.00 0.00 177.10 175.69 3ihc h TRP 137 N 2.52 0.37 -0.13 1.54 4.06 -2.00 -2.03 115.95 120.27 3ihc h TRP 137 Ca -0.32 0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.66 3ihc h TRP 137 Cb 1.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.28 3ihc h TRP 137 CO 0.39 0.19 0.09 0.78 -3.56 0.00 0.00 178.44 176.33 3ihc h GLY 138 N 0.40 0.13 2.00 1.49 0.00 -1.99 -1.97 103.07 103.13 3ihc h GLY 138 Ca 0.17 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.30 3ihc h GLY 138 CO -0.12 0.04 -0.74 3.21 0.00 0.00 0.00 176.54 178.94 3ihc h ARG 139 N 0.12 0.00 -0.39 4.80 3.08 -1.79 0.24 114.38 120.43 3ihc h ARG 139 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3ihc h ARG 139 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3ihc h ARG 139 CO -0.01 0.74 0.04 0.82 -1.07 0.00 0.00 179.97 180.50 3ihc h ILE 140 N 0.00 1.25 -0.49 2.04 2.04 -0.75 -0.98 117.51 120.62 3ihc h ILE 140 Ca -0.01 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3ihc h ILE 140 Cb 1.41 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 3ihc h ILE 140 CO 0.10 0.31 0.25 0.58 0.00 0.00 0.00 178.15 179.39 3ihc h VAL 141 N 0.50 1.18 -0.46 1.67 2.07 -1.29 -2.40 116.25 117.53 3ihc h VAL 141 Ca 0.12 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3ihc h VAL 141 Cb 0.40 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 3ihc h VAL 141 CO 0.01 0.20 -0.04 0.00 0.02 0.00 0.00 177.57 177.76 3ihc h ALA 142 N 1.09 0.39 -0.51 1.67 0.00 -0.42 0.16 119.26 121.64 3ihc h ALA 142 Ca 0.17 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.33 3ihc h ALA 142 Cb 0.09 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3ihc h ALA 142 CO -0.02 -0.41 -0.09 0.35 0.00 0.00 0.00 179.25 179.08 3ihc h PHE 143 N 0.07 -0.20 -0.66 0.00 3.57 -0.97 0.12 116.94 118.87 3ihc h PHE 143 Ca 0.23 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3ihc h PHE 143 Cb 0.34 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3ihc h PHE 143 CO -0.33 -0.19 0.22 0.74 -2.23 0.00 0.00 178.31 176.52 3ihc h PHE 144 N 0.03 1.06 -0.20 0.41 0.04 -0.94 -2.04 116.94 115.29 3ihc h PHE 144 Ca 0.25 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3ihc h PHE 144 Cb 0.39 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3ihc h PHE 144 CO -0.40 0.85 -0.20 1.03 -0.60 0.00 0.00 178.31 178.99 3ihc h SER 145 N 0.96 0.35 -0.21 2.17 0.87 -0.55 -0.93 113.55 116.21 3ihc h SER 145 Ca 0.22 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 3ihc h SER 145 Cb 0.28 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3ihc h SER 145 CO -0.01 0.57 -0.21 0.15 -0.53 0.00 0.00 176.83 176.79 3ihc h PHE 146 N 0.32 0.62 -0.61 2.24 3.57 -0.59 0.06 116.94 122.55 3ihc h PHE 146 Ca 0.06 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 3ihc h PHE 146 Cb 0.55 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3ihc h PHE 146 CO 0.01 0.87 0.16 0.78 -2.23 0.00 0.00 178.31 177.90 3ihc h GLY 147 N 0.20 1.05 0.92 2.40 0.00 -0.86 -0.49 103.07 106.28 3ihc h GLY 147 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.74 3ihc h GLY 147 CO 0.05 0.60 0.43 -1.33 0.00 0.00 0.00 176.54 176.29 3ihc h GLY 148 N 0.89 0.96 0.84 4.60 0.00 -1.10 -1.02 103.07 108.24 3ihc h GLY 148 Ca 0.19 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3ihc h GLY 148 CO -0.00 0.29 0.43 0.00 0.00 0.00 0.00 176.54 177.27 3ihc h ALA 149 N 1.27 0.92 -0.59 3.60 0.00 -0.53 -0.83 119.26 123.11 3ihc h ALA 149 Ca 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3ihc h ALA 149 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3ihc h ALA 149 CO -0.09 0.20 0.19 1.25 0.00 0.00 0.00 179.25 180.80 3ihc h LEU 150 N 0.84 0.82 -0.20 0.00 5.85 -0.79 -0.11 115.31 121.72 3ihc h LEU 150 Ca 0.29 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3ihc h LEU 150 Cb 0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3ihc h LEU 150 CO -0.12 0.77 -0.53 0.00 -0.34 0.00 0.00 178.44 178.22 3ihc h VAL 152 N 0.41 1.15 -0.47 0.00 2.07 -0.95 -0.83 116.25 117.63 3ihc h VAL 152 Ca -0.01 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3ihc h VAL 152 Cb 1.14 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3ihc h VAL 152 CO 0.11 0.16 0.24 -0.33 0.02 0.00 0.00 177.57 177.77 3ihc h GLU 153 N 0.58 0.45 -0.64 1.57 5.08 -0.89 -0.93 114.58 119.81 3ihc h GLU 153 Ca 0.16 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3ihc h GLU 153 Cb 0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3ihc h GLU 153 CO -0.03 0.30 0.12 0.77 -1.00 0.00 0.00 179.01 179.17 3ihc h SER 154 N 0.47 1.00 -0.65 1.42 0.02 -0.54 -1.65 113.55 113.62 3ihc h SER 154 Ca 0.20 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3ihc h SER 154 Cb 0.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3ihc h SER 154 CO -0.14 1.00 0.12 0.58 -1.14 0.00 0.00 176.83 177.24 3ihc h VAL 155 N 0.96 1.26 -0.87 2.27 2.07 -0.89 0.23 116.25 121.28 3ihc h VAL 155 Ca 0.20 -1.02 0.14 0.00 0.82 0.00 0.00 66.70 66.84 3ihc h VAL 155 Cb 0.41 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3ihc h VAL 155 CO 0.01 0.38 0.57 0.44 0.02 0.00 0.00 177.57 178.99 3ihc h ASP 156 N 1.00 0.64 -0.12 0.57 3.32 -0.82 -1.57 116.42 119.45 3ihc h ASP 156 Ca 0.20 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ihc h ASP 156 Cb 0.43 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3ihc h ASP 156 CO 0.01 0.33 0.00 0.29 -1.72 0.00 0.00 179.24 178.15 3ihc n LYS 157 N -4.55 1.56 -2.59 3.56 5.02 -0.65 -4.89 118.16 115.62 3ihc n LYS 157 Ca 0.17 -0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 55.43 3ihc n LYS 157 Cb 0.46 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 3ihc n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ihc n GLU 158 N 0.06 -2.66 -1.76 1.97 -0.58 -0.59 -4.90 120.64 112.18 3ihc n GLU 158 Ca 0.16 0.85 -0.22 0.00 -0.42 0.00 0.00 57.16 57.53 3ihc n GLU 158 Cb 0.27 -5.41 0.05 0.00 -0.57 0.00 0.00 31.44 25.79 3ihc n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3ihc n MET 159 N -3.12 3.25 0.18 3.49 2.81 0.77 -4.82 117.12 119.69 3ihc n MET 159 Ca -0.17 -3.94 0.13 0.00 -1.81 0.00 0.00 57.70 51.92 3ihc n MET 159 Cb 0.64 -2.21 0.65 0.00 -0.71 0.00 0.00 33.22 31.59 3ihc n MET 159 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3ihc h GLN 160 N 2.01 0.00 -0.28 0.03 -0.00 -1.85 -0.88 115.11 114.14 3ihc h GLN 160 Ca 0.37 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 59.10 3ihc h GLN 160 Cb 1.41 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.88 3ihc h GLN 160 CO 0.80 0.00 0.27 -0.39 -0.00 0.00 0.00 178.83 179.51 3ihc h VAL 161 N 0.00 0.54 0.00 1.86 -1.51 -1.92 -2.05 116.25 113.17 3ihc h VAL 161 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 3ihc h VAL 161 Cb 0.10 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 3ihc h VAL 161 CO 0.00 0.00 -0.30 -0.07 -1.23 0.00 0.00 177.57 175.97 3ihc h LEU 162 N 0.00 0.00 -0.37 4.19 3.38 -1.54 -3.36 115.31 117.61 3ihc h LEU 162 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ihc h LEU 162 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3ihc h LEU 162 CO -0.00 0.30 0.23 0.58 0.09 0.00 0.00 178.44 179.63 3ihc h VAL 163 N 0.00 1.12 0.00 1.22 2.07 -1.56 1.00 116.25 120.10 3ihc h VAL 163 Ca -0.00 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3ihc h VAL 163 Cb 0.71 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3ihc h VAL 163 CO 0.04 0.12 -0.45 0.77 0.02 0.00 0.00 177.57 178.07 3ihc h SER 164 N 0.49 0.00 -0.09 0.57 4.64 -1.71 -1.75 113.55 115.69 3ihc h SER 164 Ca 0.13 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3ihc h SER 164 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ihc h SER 164 CO -0.03 0.45 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.27 3ihc h ARG 165 N 0.00 0.18 -0.59 4.77 2.43 -1.56 -1.76 114.38 117.85 3ihc h ARG 165 Ca -0.00 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3ihc h ARG 165 Cb 0.88 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 3ihc h ARG 165 CO 0.06 0.49 0.34 0.82 -1.51 0.00 0.00 179.97 180.17 3ihc h ILE 166 N -0.15 1.02 -0.66 1.20 2.04 -0.58 -0.67 117.51 119.71 3ihc h ILE 166 Ca 0.02 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.73 3ihc h ILE 166 Cb 0.42 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3ihc h ILE 166 CO 0.01 0.12 0.34 0.00 0.00 0.00 0.00 178.15 178.62 3ihc h ALA 167 N 1.28 0.89 -0.29 1.87 0.00 -1.25 0.65 119.26 122.41 3ihc h ALA 167 Ca 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3ihc h ALA 167 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ihc h ALA 167 CO -0.13 -0.02 0.08 0.77 0.00 0.00 0.00 179.25 179.95 3ihc h SER 168 N 0.61 0.42 -0.79 0.00 0.02 -0.40 -1.82 113.55 111.60 3ihc h SER 168 Ca 0.31 -0.22 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3ihc h SER 168 Cb 0.26 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3ihc h SER 168 CO -0.22 0.53 0.46 -0.50 -1.14 0.00 0.00 176.83 175.95 3ihc h TRP 169 N 0.30 0.84 -0.45 3.45 6.55 -0.91 -0.27 115.95 125.46 3ihc h TRP 169 Ca 0.09 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.85 3ihc h TRP 169 Cb 0.26 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.29 3ihc h TRP 169 CO 0.01 0.38 -0.17 0.52 -1.05 0.00 0.00 178.44 178.13 3ihc h MET 170 N 0.81 0.86 -0.35 0.49 2.86 -0.63 -0.57 114.93 118.40 3ihc h MET 170 Ca 0.36 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3ihc h MET 170 Cb 0.26 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3ihc h MET 170 CO -0.21 0.96 0.07 0.00 1.06 0.00 0.00 176.91 178.79 3ihc h ALA 171 N 1.04 0.47 -0.14 6.32 0.00 -0.86 0.11 119.26 126.20 3ihc h ALA 171 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ihc h ALA 171 Cb 0.70 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3ihc h ALA 171 CO 0.05 0.16 -0.22 1.15 0.00 0.00 0.00 179.25 180.39 3ihc h THR 172 N 0.42 0.45 -0.67 0.00 2.02 -0.88 -1.08 112.91 113.17 3ihc h THR 172 Ca 0.11 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 3ihc h THR 172 Cb 0.34 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3ihc h THR 172 CO 0.01 0.00 0.19 0.22 0.37 0.00 0.00 175.52 176.30 3ihc h TYR 173 N -0.28 1.10 -0.47 3.16 5.03 -0.94 -0.38 116.97 124.20 3ihc h TYR 173 Ca 0.10 -0.12 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 3ihc h TYR 173 Cb 0.43 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 3ihc h TYR 173 CO -0.33 0.89 0.04 1.25 -1.32 0.00 0.00 178.16 178.69 3ihc h LEU 174 N 0.99 0.78 -0.39 2.82 5.85 -0.84 0.12 115.31 124.64 3ihc h LEU 174 Ca 0.21 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3ihc h LEU 174 Cb 0.33 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ihc h LEU 174 CO -0.00 0.87 -0.08 0.78 -0.34 0.00 0.00 178.44 179.67 3ihc h ASN 175 N 0.66 0.74 0.08 1.25 -0.26 -0.84 0.68 115.58 117.90 3ihc h ASN 175 Ca 0.14 -0.35 -0.00 0.00 -0.56 0.00 0.00 56.30 55.52 3ihc h ASN 175 Cb 0.45 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 3ihc h ASN 175 CO 0.02 0.92 -0.04 -0.78 -1.06 0.00 0.00 177.43 176.49 3ihc h ASP 176 N 0.55 -0.10 0.00 5.81 3.58 -0.98 -3.39 116.42 121.89 3ihc h ASP 176 Ca 0.10 -0.50 -0.14 0.00 0.42 0.00 0.00 57.03 56.91 3ihc h ASP 176 Cb 0.59 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 3ihc h ASP 176 CO 0.03 0.53 -1.94 1.41 -2.88 0.00 0.00 179.24 176.39 3ihc n HIS 177 N -4.84 0.00 -0.09 0.28 8.25 0.42 -4.68 115.22 114.56 3ihc n HIS 177 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 3ihc n HIS 177 Cb 0.29 -0.58 -0.09 0.00 1.12 0.00 0.00 29.99 30.73 3ihc n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ihc n LEU 178 N -2.34 2.74 -0.32 2.41 4.77 -0.87 -4.56 117.00 118.84 3ihc n LEU 178 Ca -0.14 -0.09 0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3ihc n LEU 178 Cb 0.72 -0.58 0.31 0.00 -2.33 0.00 0.00 43.42 41.54 3ihc n LEU 178 CO 0.36 0.78 1.23 -0.33 -1.33 0.00 0.00 177.39 178.10 3ihc h GLU 179 N 0.00 0.81 -0.55 3.23 4.39 -1.08 -2.08 114.58 119.30 3ihc h GLU 179 Ca -0.42 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.33 3ihc h GLU 179 Cb 1.68 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 30.07 3ihc h GLU 179 CO -0.06 0.54 0.11 -1.35 -1.16 0.00 0.00 179.01 177.09 3ihc h PRO 180 N 0.83 0.24 -0.39 2.33 0.11 -1.81 -0.56 132.00 132.75 3ihc h PRO 180 Ca 0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.48 3ihc h PRO 180 Cb 0.63 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3ihc h PRO 180 CO -0.24 0.16 -0.14 2.35 -0.21 0.00 0.00 178.00 179.92 3ihc h TRP 181 N 0.25 0.89 -0.19 0.65 7.01 -1.70 -2.88 115.95 119.97 3ihc h TRP 181 Ca 0.28 -0.21 0.03 0.00 2.11 0.00 0.00 58.89 61.10 3ihc h TRP 181 Cb 0.39 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 3ihc h TRP 181 CO -0.24 0.94 0.01 0.82 -2.79 0.00 0.00 178.44 177.18 3ihc h ILE 182 N 0.59 0.88 -0.30 2.65 2.04 -1.07 0.01 117.51 122.30 3ihc h ILE 182 Ca 0.09 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 3ihc h ILE 182 Cb 0.68 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3ihc h ILE 182 CO 0.05 0.01 -0.11 1.56 0.00 0.00 0.00 178.15 179.66 3ihc h GLN 183 N 0.08 0.51 -0.10 2.37 1.08 -1.15 0.35 115.11 118.24 3ihc h GLN 183 Ca 0.09 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 3ihc h GLN 183 Cb 0.10 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3ihc h GLN 183 CO -0.14 0.62 -0.45 1.49 -0.95 0.00 0.00 178.83 179.41 3ihc h GLU 184 N 0.47 0.25 -0.67 1.46 4.57 -1.25 -3.25 114.58 116.16 3ihc h GLU 184 Ca 0.09 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 3ihc h GLU 184 Cb 0.49 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.99 3ihc h GLU 184 CO 0.03 0.65 0.18 0.09 -1.18 0.00 0.00 179.01 178.78 3ihc n ASN 185 N -3.99 5.06 0.00 1.04 3.02 -0.04 -4.90 115.26 115.45 3ihc n ASN 185 Ca -0.02 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 3ihc n ASN 185 Cb 0.51 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3ihc n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihc n GLY 186 N 0.05 1.02 5.45 7.41 0.00 -0.99 -4.84 105.19 113.28 3ihc n GLY 186 Ca 0.36 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.42 3ihc n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihc n GLY 187 N -1.14 -1.45 0.26 -0.02 0.00 0.12 -3.02 105.19 99.94 3ihc n GLY 187 Ca 0.00 -1.15 0.14 0.00 0.00 0.00 0.00 46.02 45.01 3ihc n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ihc h TRP 188 N -0.25 0.00 -0.43 1.61 4.06 -1.96 -2.11 115.95 116.88 3ihc h TRP 188 Ca 0.01 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.99 3ihc h TRP 188 Cb 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 3ihc h TRP 188 CO 0.00 0.11 0.22 -0.44 -3.56 0.00 0.00 178.44 174.76 3ihc h ASP 189 N 0.00 0.32 -0.72 -3.49 3.32 -1.99 -0.03 116.42 113.83 3ihc h ASP 189 Ca -0.00 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3ihc h ASP 189 Cb 0.46 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3ihc h ASP 189 CO 0.01 0.23 0.25 0.74 -1.72 0.00 0.00 179.24 178.75 3ihc h THR 190 N 0.43 1.26 -0.50 0.35 2.02 -1.29 -0.86 112.91 114.32 3ihc h THR 190 Ca 0.18 -0.86 0.09 0.00 0.77 0.00 0.00 66.41 66.59 3ihc h THR 190 Cb 0.08 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 3ihc h THR 190 CO -0.13 0.34 0.09 0.15 0.37 0.00 0.00 175.52 176.35 3ihc h PHE 191 N 1.08 0.15 -0.07 3.16 3.57 -1.31 -1.07 116.94 122.45 3ihc h PHE 191 Ca 0.24 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3ihc h PHE 191 Cb 0.27 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3ihc h PHE 191 CO 0.02 -0.01 0.04 0.28 -2.23 0.00 0.00 178.31 176.40 3ihc h VAL 192 N 0.23 1.07 -0.78 1.41 2.07 -0.33 0.75 116.25 120.67 3ihc h VAL 192 Ca 0.25 -0.20 0.18 0.00 0.82 0.00 0.00 66.70 67.75 3ihc h VAL 192 Cb 0.34 1.09 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 3ihc h VAL 192 CO -0.33 0.06 0.21 0.44 0.02 0.00 0.00 177.57 177.96 3ihc h ASP 193 N 0.03 0.04 -0.09 0.57 3.32 -0.99 0.52 116.42 119.81 3ihc h ASP 193 Ca 0.02 0.16 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 3ihc h ASP 193 Cb 0.07 0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.83 3ihc h ASP 193 CO -0.00 -0.05 -0.71 -0.07 -1.72 0.00 0.00 179.24 176.68 3ihc h LEU 194 N 0.28 0.78 0.00 1.55 3.38 -0.44 -3.38 115.31 117.48 3ihc h LEU 194 Ca 0.45 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ihc h LEU 194 Cb 0.81 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ihc h LEU 194 CO -0.54 1.33 -0.75 -1.22 0.09 0.00 0.00 178.44 177.35 3ihc n TYR 195 N -4.06 0.00 1.87 1.13 4.02 0.19 -5.10 117.16 115.21 3ihc n TYR 195 Ca -0.09 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.95 3ihc n TYR 195 Cb 0.71 -0.07 0.89 0.00 -0.02 0.00 0.00 39.34 40.86 3ihc n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26