#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwc s LEU 65 N 0.00 1.95 0.21 2.39 1.43 -1.26 -1.94 118.68 121.46 3iwc s LEU 65 Ca 0.00 -0.88 0.11 0.00 -1.03 0.00 0.00 54.13 52.33 3iwc s LEU 65 Cb 0.00 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 3iwc s LEU 65 CO 0.00 -0.21 -0.21 0.42 0.23 0.00 0.00 176.35 176.58 3iwc s THR 66 N 1.56 2.20 -0.11 5.49 -4.23 -0.23 -4.98 115.64 115.34 3iwc s THR 66 Ca -0.02 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.27 3iwc s THR 66 Cb -0.17 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.61 3iwc s THR 66 CO -0.07 -0.29 0.29 -0.51 -0.54 0.00 0.00 174.62 173.50 3iwc s ILE 67 N -2.11 -0.00 -0.09 2.99 2.07 -1.26 -1.53 121.20 121.27 3iwc s ILE 67 Ca 0.22 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.44 3iwc s ILE 67 Cb -0.06 -0.40 0.04 0.00 0.13 0.00 0.00 42.46 42.17 3iwc s ILE 67 CO 0.10 0.00 0.07 -1.00 -1.91 0.00 0.00 174.94 172.20 3iwc s HIS 68 N 0.19 0.16 0.04 3.50 3.76 -0.53 -4.99 115.29 117.42 3iwc s HIS 68 Ca -0.00 0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 3iwc s HIS 68 Cb -0.02 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 3iwc s HIS 68 CO 0.00 -0.32 0.08 0.95 -0.85 0.00 0.00 174.74 174.60 3iwc s THR 69 N 2.14 4.62 -0.57 1.30 -4.23 -1.26 -0.81 115.64 116.83 3iwc s THR 69 Ca 0.04 -0.61 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 3iwc s THR 69 Cb -0.14 -3.18 0.22 0.00 1.34 0.00 0.00 72.50 70.75 3iwc s THR 69 CO -0.05 0.22 0.57 0.79 -0.54 0.00 0.00 174.62 175.61 3iwc n TRP 70 N 0.77 1.97 -0.36 3.99 8.01 0.22 -4.98 117.44 127.07 3iwc n TRP 70 Ca -0.10 -3.94 0.26 0.00 -1.31 0.00 0.00 57.50 52.41 3iwc n TRP 70 Cb 0.52 -0.40 0.51 0.00 -2.01 0.00 0.00 31.31 29.93 3iwc n TRP 70 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3iwc h PRO 71 N 4.66 0.31 0.00 -0.99 0.11 -1.96 0.47 132.00 134.61 3iwc h PRO 71 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3iwc h PRO 71 Cb 0.77 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3iwc h PRO 71 CO 0.65 0.20 0.00 1.05 -0.21 0.00 0.00 178.00 179.70 3iwc h GLU 72 N 0.32 0.00 0.00 1.05 9.09 -1.94 -2.32 114.58 120.78 3iwc h GLU 72 Ca 0.71 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.12 3iwc h GLU 72 Cb 1.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.88 3iwc h GLU 72 CO -0.47 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.25 3iwc n TYR 73 N -2.52 0.00 -1.91 2.06 4.01 0.16 -4.99 117.16 113.98 3iwc n TYR 73 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 3iwc n TYR 73 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 3iwc n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iwc n GLY 74 N 0.17 0.65 3.63 2.72 0.00 -0.60 -4.98 105.19 106.78 3iwc n GLY 74 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3iwc n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iwc s TYR 75 N -2.73 2.92 -0.07 1.61 5.04 -1.14 -5.01 117.35 117.97 3iwc s TYR 75 Ca 0.00 -0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.56 3iwc s TYR 75 Cb 0.00 -1.56 0.04 0.00 0.35 0.00 0.00 41.96 40.79 3iwc s TYR 75 CO 0.00 0.43 0.14 0.00 -1.34 0.00 0.00 175.55 174.78 3iwc s ALA 76 N -1.15 -0.22 -0.39 3.97 0.00 -1.26 -0.61 121.76 122.11 3iwc s ALA 76 Ca 0.21 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 3iwc s ALA 76 Cb -0.11 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3iwc s ALA 76 CO 0.12 -0.25 0.42 0.00 0.00 0.00 0.00 175.76 176.06 3iwc s ALA 77 N 1.42 3.45 -0.05 0.00 0.00 0.01 -4.95 121.76 121.65 3iwc s ALA 77 Ca -0.06 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.58 3iwc s ALA 77 Cb -0.12 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 3iwc s ALA 77 CO -0.06 -1.38 -0.20 0.42 0.00 0.00 0.00 175.76 174.54 3iwc s ILE 78 N 2.12 2.57 -0.08 0.00 1.01 -1.26 -1.46 121.20 124.10 3iwc s ILE 78 Ca 0.13 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3iwc s ILE 78 Cb -0.17 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3iwc s ILE 78 CO 0.13 0.58 -0.12 -1.81 0.00 0.00 0.00 174.94 173.72 3iwc s ASP 79 N -0.52 1.99 -0.42 3.58 1.01 -0.58 -4.99 116.67 116.73 3iwc s ASP 79 Ca 0.07 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 53.03 3iwc s ASP 79 Cb -0.11 -0.89 0.12 0.00 1.01 0.00 0.00 42.92 43.05 3iwc s ASP 79 CO 0.01 0.01 0.17 -0.76 0.21 0.00 0.00 175.17 174.81 3iwc s LEU 80 N 0.87 3.68 -0.32 1.23 1.43 -1.26 -1.06 118.68 123.25 3iwc s LEU 80 Ca -0.10 -2.46 -0.08 0.00 -1.03 0.00 0.00 54.13 50.46 3iwc s LEU 80 Cb -0.15 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.73 3iwc s LEU 80 CO 0.01 -0.31 0.12 0.12 0.23 0.00 0.00 176.35 176.52 3iwc s PHE 81 N 0.51 3.20 0.18 0.29 5.36 -0.82 -4.91 117.98 121.79 3iwc s PHE 81 Ca 0.14 -1.07 0.08 0.00 -0.96 0.00 0.00 56.93 55.13 3iwc s PHE 81 Cb -0.22 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 3iwc s PHE 81 CO -0.06 -0.62 -0.17 0.95 -1.46 0.00 0.00 175.22 173.86 3iwc s THR 82 N 1.49 1.78 0.03 0.12 -4.23 -1.26 -2.27 115.64 111.30 3iwc s THR 82 Ca 0.01 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 3iwc s THR 82 Cb -0.18 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 3iwc s THR 82 CO 0.04 -0.43 -0.17 0.00 -0.54 0.00 0.00 174.62 173.52 3iwc n GLY 84 N 2.06 2.28 0.24 0.00 0.00 -1.26 -4.52 105.19 103.99 3iwc n GLY 84 Ca -0.17 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.31 3iwc n GLY 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3iwc h GLU 85 N 0.00 0.00 -0.58 1.61 9.09 -2.07 -2.61 114.58 120.03 3iwc h GLU 85 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 3iwc h GLU 85 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.04 3iwc h GLU 85 CO 0.00 0.16 0.11 -0.25 0.05 0.00 0.00 179.01 179.08 3iwc n ASP 86 N -3.33 4.84 -4.02 3.06 8.00 -1.26 -4.83 116.55 119.01 3iwc n ASP 86 Ca 0.00 -3.12 -0.24 0.00 0.71 0.00 0.00 54.79 52.14 3iwc n ASP 86 Cb 0.39 -0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 3iwc n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwc s VAL 87 N -2.91 1.06 -0.28 2.53 1.01 -0.98 -5.12 120.40 115.71 3iwc s VAL 87 Ca 0.52 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3iwc s VAL 87 Cb 0.41 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.88 3iwc s VAL 87 CO 0.13 0.33 -0.03 -0.62 0.00 0.00 0.00 175.10 174.90 3iwc s ASP 88 N 0.50 4.67 0.54 3.32 2.15 -1.26 -4.82 116.67 121.76 3iwc s ASP 88 Ca -0.11 -1.20 0.30 0.00 0.43 0.00 0.00 52.55 51.98 3iwc s ASP 88 Cb -0.14 -1.67 1.50 0.00 -0.30 0.00 0.00 42.92 42.32 3iwc s ASP 88 CO 0.03 -0.22 2.07 1.55 -0.17 0.00 0.00 175.17 178.43 3iwc h PRO 89 N 7.96 0.00 0.00 4.34 0.13 -1.96 -2.49 132.00 139.98 3iwc h PRO 89 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3iwc h PRO 89 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3iwc h PRO 89 CO 0.53 0.10 0.00 -1.49 -0.23 0.00 0.00 178.00 176.91 3iwc h TRP 90 N 0.00 0.00 0.00 1.56 4.06 -1.95 -1.62 115.95 118.00 3iwc h TRP 90 Ca -0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 3iwc h TRP 90 Cb 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 3iwc h TRP 90 CO 0.00 0.00 -0.91 0.87 -3.56 0.00 0.00 178.44 174.84 3iwc h LYS 91 N 0.00 0.32 -0.23 0.49 1.79 -1.88 -1.36 116.57 115.70 3iwc h LYS 91 Ca 0.00 -0.34 -0.04 0.00 -2.18 0.00 0.00 60.65 58.09 3iwc h LYS 91 Cb 0.57 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 3iwc h LYS 91 CO 0.00 1.04 -0.01 0.00 -1.08 0.00 0.00 179.45 179.40 3iwc h ALA 92 N 0.84 0.31 -0.22 3.86 0.00 -1.44 -2.78 119.26 119.82 3iwc h ALA 92 Ca -0.06 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3iwc h ALA 92 Cb 1.54 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3iwc h ALA 92 CO 0.15 0.04 -0.23 0.35 0.00 0.00 0.00 179.25 179.56 3iwc h PHE 93 N 0.17 -0.61 -0.76 0.00 3.57 -1.22 -1.97 116.94 116.11 3iwc h PHE 93 Ca 0.06 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3iwc h PHE 93 Cb 0.43 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 3iwc h PHE 93 CO 0.04 -0.31 0.39 1.49 -2.23 0.00 0.00 178.31 177.69 3iwc h GLU 94 N -0.25 0.61 -0.48 1.11 4.57 -1.19 0.35 114.58 119.30 3iwc h GLU 94 Ca 0.13 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3iwc h GLU 94 Cb 0.44 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3iwc h GLU 94 CO -0.36 0.41 0.14 1.25 -1.18 0.00 0.00 179.01 179.26 3iwc h HIS 95 N 0.63 0.80 -0.33 0.92 2.76 -1.16 -2.65 115.15 116.12 3iwc h HIS 95 Ca 0.38 -0.09 -0.14 0.00 -2.20 0.00 0.00 60.37 58.32 3iwc h HIS 95 Cb 0.43 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 3iwc h HIS 95 CO -0.10 0.71 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.81 3iwc h LEU 96 N 0.65 0.89 -0.87 0.26 3.38 -0.81 -0.25 115.31 118.56 3iwc h LEU 96 Ca 0.15 -0.48 0.12 0.00 0.09 0.00 0.00 57.88 57.76 3iwc h LEU 96 Cb 0.30 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3iwc h LEU 96 CO -0.00 1.19 0.50 0.50 0.09 0.00 0.00 178.44 180.71 3iwc h LYS 97 N 0.61 0.76 -0.00 1.13 3.11 -0.89 0.18 116.57 121.47 3iwc h LYS 97 Ca 0.05 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3iwc h LYS 97 Cb 0.95 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.00 3iwc h LYS 97 CO 0.09 0.50 -0.00 -0.22 -2.81 0.00 0.00 179.45 177.01 3iwc h LYS 98 N 0.79 0.00 -0.76 1.90 3.64 -1.25 -1.93 116.57 118.96 3iwc h LYS 98 Ca 0.44 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 3iwc h LYS 98 Cb 0.49 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3iwc h LYS 98 CO -0.29 0.42 0.41 0.00 -2.27 0.00 0.00 179.45 177.72 3iwc h ALA 99 N 0.59 1.30 0.00 5.00 0.00 -0.30 -2.88 119.26 122.97 3iwc h ALA 99 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iwc h ALA 99 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iwc h ALA 99 CO 0.00 0.57 -0.57 1.28 0.00 0.00 0.00 179.25 180.53 3iwc n LEU 100 N -4.36 0.56 -3.59 0.00 4.32 0.57 -4.96 117.00 109.54 3iwc n LEU 100 Ca 0.08 0.09 -0.23 0.00 -0.02 0.00 0.00 56.01 55.93 3iwc n LEU 100 Cb 0.10 -0.22 0.08 0.00 -1.62 0.00 0.00 43.42 41.75 3iwc n LEU 100 CO 0.38 0.05 0.21 0.29 -1.22 0.00 0.00 177.39 177.10 3iwc n LYS 101 N -1.74 -7.53 -2.00 3.23 5.02 -0.74 -4.93 118.16 109.47 3iwc n LYS 101 Ca 0.05 0.81 -0.40 0.00 -2.02 0.00 0.00 58.31 56.75 3iwc n LYS 101 Cb 0.38 -5.85 -0.00 0.00 -0.02 0.00 0.00 35.03 29.54 3iwc n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwc s ALA 102 N -3.33 3.26 -0.05 7.82 0.00 -1.14 -4.92 121.76 123.40 3iwc s ALA 102 Ca 0.47 1.28 0.19 0.00 0.00 0.00 0.00 51.96 53.90 3iwc s ALA 102 Cb -0.21 -3.51 -0.29 0.00 0.00 0.00 0.00 23.12 19.11 3iwc s ALA 102 CO 0.74 -0.90 0.42 1.63 0.00 0.00 0.00 175.76 177.65 3iwc n LYS 103 N 0.07 0.57 -3.74 0.00 5.02 -1.26 -4.94 118.16 113.89 3iwc n LYS 103 Ca 0.04 -0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.04 3iwc n LYS 103 Cb 0.43 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 3iwc n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3iwc s ARG 104 N -3.27 0.27 0.04 1.97 3.52 -1.26 -5.16 118.95 115.05 3iwc s ARG 104 Ca -0.06 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 3iwc s ARG 104 Cb 0.12 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 3iwc s ARG 104 CO 0.77 -0.12 -0.08 0.14 -0.81 0.00 0.00 175.30 175.20 3iwc s VAL 105 N 0.94 0.54 -0.07 7.11 -7.23 -1.26 -5.12 120.40 115.31 3iwc s VAL 105 Ca -0.06 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 3iwc s VAL 105 Cb -0.07 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.28 3iwc s VAL 105 CO -0.06 -0.37 -0.06 -2.28 -0.31 0.00 0.00 175.10 172.02 3iwc s HIS 106 N -1.34 1.02 -0.04 2.82 2.46 -1.26 -5.14 115.29 113.81 3iwc s HIS 106 Ca -0.10 -0.37 0.02 0.00 0.47 0.00 0.00 55.06 55.08 3iwc s HIS 106 Cb -0.10 -0.88 0.02 0.00 -0.13 0.00 0.00 32.58 31.49 3iwc s HIS 106 CO 0.00 -0.30 -0.06 0.08 -2.47 0.00 0.00 174.74 171.99 3iwc s VAL 107 N 1.21 0.65 -0.10 0.89 1.01 -1.26 -5.10 120.40 117.71 3iwc s VAL 107 Ca -0.06 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3iwc s VAL 107 Cb -0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3iwc s VAL 107 CO -0.02 0.24 -0.19 0.54 0.00 0.00 0.00 175.10 175.67 3iwc s VAL 108 N 0.65 2.54 -0.24 2.92 0.11 -1.26 -5.11 120.40 120.01 3iwc s VAL 108 Ca -0.10 -0.86 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 3iwc s VAL 108 Cb -0.13 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 3iwc s VAL 108 CO 0.01 0.55 0.12 -0.70 -3.33 0.00 0.00 175.10 171.74 3iwc s GLU 109 N 0.14 3.89 0.04 1.54 2.12 -1.26 -5.08 118.70 120.09 3iwc s GLU 109 Ca -0.10 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.89 3iwc s GLU 109 Cb -0.16 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 3iwc s GLU 109 CO 0.06 -0.02 0.05 -1.01 -0.54 0.00 0.00 175.26 173.80 3iwc s HIS 110 N 1.24 3.16 -0.26 5.30 3.76 -1.26 -5.09 115.29 122.13 3iwc s HIS 110 Ca 0.06 0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 54.96 3iwc s HIS 110 Cb -0.14 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 3iwc s HIS 110 CO 0.05 0.51 0.17 -1.21 -0.85 0.00 0.00 174.74 173.41 3iwc s GLU 111 N -2.03 3.99 -0.18 1.40 2.02 -1.26 -5.06 118.70 117.58 3iwc s GLU 111 Ca 0.25 -0.30 -0.07 0.00 0.02 0.00 0.00 54.97 54.87 3iwc s GLU 111 Cb -0.12 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 3iwc s GLU 111 CO 0.17 -0.07 0.04 1.03 0.02 0.00 0.00 175.26 176.45 3iwc s ARG 112 N 1.44 3.90 -0.67 1.61 1.81 -1.26 -4.60 118.95 121.18 3iwc s ARG 112 Ca 0.07 -0.38 -0.03 0.00 -1.72 0.00 0.00 55.73 53.67 3iwc s ARG 112 Cb -0.15 -3.16 -0.03 0.00 -0.45 0.00 0.00 34.95 31.17 3iwc s ARG 112 CO 0.08 0.25 0.58 0.41 -0.68 0.00 0.00 175.30 175.94 3iwc n GLY 113 N 3.57 -0.27 3.71 -3.53 0.00 -1.26 -4.93 105.19 102.48 3iwc n GLY 113 Ca -0.17 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3iwc n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwc n ARG 114 N -2.67 2.72 -0.32 1.61 1.74 -1.26 -4.83 116.66 113.65 3iwc n ARG 114 Ca -0.08 0.98 0.08 0.00 -0.77 0.00 0.00 57.85 58.06 3iwc n ARG 114 Cb 0.58 -2.82 0.24 0.00 -1.02 0.00 0.00 32.46 29.44 3iwc n ARG 114 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 3iwc h TYR 115 N 6.73 0.89 0.00 -1.55 0.05 -1.97 0.28 116.97 121.40 3iwc h TYR 115 Ca -0.43 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.38 3iwc h TYR 115 Cb 1.21 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.69 3iwc h TYR 115 CO 0.64 0.24 0.00 -0.40 -1.05 0.00 0.00 178.16 177.59 3iwc n ASP 116 N -4.80 0.00 -0.09 3.88 3.85 -1.26 -2.96 116.55 115.17 3iwc n ASP 116 Ca 0.18 0.10 -0.10 0.00 -0.71 0.00 0.00 54.79 54.27 3iwc n ASP 116 Cb 0.44 -0.30 -0.12 0.00 -1.35 0.00 0.00 41.12 39.79 3iwc n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3iwc n GLU 117 N -1.30 1.13 0.00 0.11 -0.58 0.89 -5.27 120.64 115.61 3iwc n GLU 117 Ca 0.07 0.03 0.13 0.00 -0.42 0.00 0.00 57.16 56.97 3iwc n GLU 117 Cb 0.13 -1.41 0.33 0.00 -0.57 0.00 0.00 31.44 29.92 3iwc n GLU 117 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09