#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwd s LEU 65 N 0.00 1.45 0.16 2.39 1.43 -1.26 -0.67 118.68 122.18 3iwd s LEU 65 Ca 0.00 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3iwd s LEU 65 Cb 0.00 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3iwd s LEU 65 CO 0.00 -0.07 -0.15 0.42 0.23 0.00 0.00 176.35 176.78 3iwd s THR 66 N 1.48 1.56 -0.10 5.49 -4.23 -0.06 -4.99 115.64 114.79 3iwd s THR 66 Ca 0.02 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.51 3iwd s THR 66 Cb -0.13 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 71.95 3iwd s THR 66 CO -0.08 -0.48 0.27 -0.51 -0.54 0.00 0.00 174.62 173.28 3iwd s ILE 67 N -2.47 -0.01 -0.08 2.99 2.07 -1.26 -1.30 121.20 121.13 3iwd s ILE 67 Ca 0.15 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.42 3iwd s ILE 67 Cb -0.03 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.21 3iwd s ILE 67 CO 0.05 0.02 0.02 -1.00 -1.91 0.00 0.00 174.94 172.12 3iwd s HIS 68 N 0.52 0.57 0.17 3.50 3.76 -0.51 -4.98 115.29 118.33 3iwd s HIS 68 Ca -0.03 -0.17 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 3iwd s HIS 68 Cb -0.05 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 3iwd s HIS 68 CO -0.03 -0.34 0.10 0.95 -0.85 0.00 0.00 174.74 174.57 3iwd s THR 69 N 2.00 4.28 -0.49 1.30 -4.23 -1.26 0.18 115.64 117.42 3iwd s THR 69 Ca 0.04 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 3iwd s THR 69 Cb -0.13 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.70 3iwd s THR 69 CO -0.05 -0.13 0.40 0.79 -0.54 0.00 0.00 174.62 175.09 3iwd n TRP 70 N -0.35 0.24 -0.32 3.99 8.01 0.50 -4.99 117.44 124.52 3iwd n TRP 70 Ca -0.09 -3.59 0.28 0.00 -1.31 0.00 0.00 57.50 52.80 3iwd n TRP 70 Cb 0.55 -0.01 0.62 0.00 -2.01 0.00 0.00 31.31 30.46 3iwd n TRP 70 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3iwd h PRO 71 N 5.43 0.20 -0.62 -0.99 0.11 -1.96 -0.11 132.00 134.05 3iwd h PRO 71 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3iwd h PRO 71 Cb 0.86 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3iwd h PRO 71 CO 0.47 0.13 0.39 0.93 -0.21 0.00 0.00 178.00 179.72 3iwd h GLU 72 N 0.21 0.83 -0.13 1.05 3.07 -1.94 -2.73 114.58 114.94 3iwd h GLU 72 Ca 0.58 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3iwd h GLU 72 Cb 1.85 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.58 3iwd h GLU 72 CO -0.17 0.57 0.00 0.66 -1.40 0.00 0.00 179.01 178.67 3iwd n TYR 73 N -4.42 0.16 -2.21 4.33 4.01 -0.16 -4.97 117.16 113.89 3iwd n TYR 73 Ca 0.06 -0.12 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 3iwd n TYR 73 Cb 0.06 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 3iwd n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iwd n GLY 74 N 0.92 0.01 3.50 2.72 0.00 -0.59 -4.99 105.19 106.76 3iwd n GLY 74 Ca 0.11 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3iwd n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iwd s TYR 75 N -2.90 2.71 -0.03 1.61 5.04 -1.10 -5.01 117.35 117.67 3iwd s TYR 75 Ca 0.00 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 3iwd s TYR 75 Cb 0.00 -1.57 0.02 0.00 0.35 0.00 0.00 41.96 40.76 3iwd s TYR 75 CO 0.00 0.26 -0.02 0.00 -1.34 0.00 0.00 175.55 174.45 3iwd s ALA 76 N -0.86 0.43 -0.39 3.97 0.00 -1.26 -0.37 121.76 123.27 3iwd s ALA 76 Ca 0.14 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 3iwd s ALA 76 Cb -0.11 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3iwd s ALA 76 CO 0.04 -0.03 0.39 0.00 0.00 0.00 0.00 175.76 176.16 3iwd s ALA 77 N 0.84 3.46 -0.10 0.00 0.00 0.13 -4.94 121.76 121.14 3iwd s ALA 77 Ca -0.09 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.44 3iwd s ALA 77 Cb -0.13 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3iwd s ALA 77 CO -0.01 -1.40 -0.15 0.42 0.00 0.00 0.00 175.76 174.62 3iwd s ILE 78 N 2.03 2.91 -0.10 0.00 1.01 -1.26 -1.42 121.20 124.37 3iwd s ILE 78 Ca 0.11 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3iwd s ILE 78 Cb -0.17 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3iwd s ILE 78 CO 0.12 0.55 -0.18 -1.81 0.00 0.00 0.00 174.94 173.62 3iwd s ASP 79 N -0.00 2.61 -0.39 3.58 1.01 -0.42 -4.99 116.67 118.08 3iwd s ASP 79 Ca -0.05 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.77 3iwd s ASP 79 Cb -0.14 -1.19 0.11 0.00 1.01 0.00 0.00 42.92 42.71 3iwd s ASP 79 CO 0.04 0.07 0.14 -0.76 0.21 0.00 0.00 175.17 174.87 3iwd s LEU 80 N 0.71 3.67 -0.36 1.23 1.43 -1.26 -0.88 118.68 123.21 3iwd s LEU 80 Ca -0.12 -2.28 -0.06 0.00 -1.03 0.00 0.00 54.13 50.64 3iwd s LEU 80 Cb -0.16 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.79 3iwd s LEU 80 CO 0.02 -0.34 0.13 0.12 0.23 0.00 0.00 176.35 176.52 3iwd s PHE 81 N 0.74 3.32 0.21 0.29 2.19 0.16 -4.92 117.98 119.97 3iwd s PHE 81 Ca 0.13 -1.68 0.11 0.00 0.33 0.00 0.00 56.93 55.82 3iwd s PHE 81 Cb -0.21 -2.53 -0.04 0.00 -1.31 0.00 0.00 43.02 38.92 3iwd s PHE 81 CO -0.09 -0.80 -0.18 0.95 1.83 0.00 0.00 175.22 176.93 3iwd s THR 82 N 1.34 2.68 -0.01 0.12 -4.23 -1.26 -0.92 115.64 113.36 3iwd s THR 82 Ca 0.00 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3iwd s THR 82 Cb -0.21 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3iwd s THR 82 CO 0.01 -0.17 -0.21 0.00 -0.54 0.00 0.00 174.62 173.70 3iwd n GLY 84 N 2.46 0.53 0.07 0.00 0.00 -1.26 -4.59 105.19 102.41 3iwd n GLY 84 Ca -0.16 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 3iwd n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwd h GLU 85 N 0.00 0.08 0.00 1.61 4.39 -2.07 -3.32 114.58 115.27 3iwd h GLU 85 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3iwd h GLU 85 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3iwd h GLU 85 CO 0.00 1.04 0.00 -0.25 -1.16 0.00 0.00 179.01 178.64 3iwd n ASP 86 N -3.39 0.00 -4.33 1.42 10.43 -1.26 -4.68 116.55 114.74 3iwd n ASP 86 Ca -0.03 -0.67 -0.34 0.00 2.57 0.00 0.00 54.79 56.31 3iwd n ASP 86 Cb 0.97 -0.07 -0.14 0.00 1.84 0.00 0.00 41.12 43.72 3iwd n ASP 86 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iwd s VAL 87 N -2.14 3.31 -0.29 2.53 1.01 -1.25 -5.10 120.40 118.47 3iwd s VAL 87 Ca 0.37 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3iwd s VAL 87 Cb 0.19 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3iwd s VAL 87 CO 0.34 0.45 0.02 -0.62 0.00 0.00 0.00 175.10 175.29 3iwd s ASP 88 N 1.15 4.84 0.47 3.32 -1.08 -1.26 -4.82 116.67 119.28 3iwd s ASP 88 Ca 0.02 -1.01 0.24 0.00 -0.52 0.00 0.00 52.55 51.28 3iwd s ASP 88 Cb -0.14 -1.76 1.14 0.00 -1.46 0.00 0.00 42.92 40.69 3iwd s ASP 88 CO -0.01 -0.22 1.93 1.55 0.52 0.00 0.00 175.17 178.94 3iwd h PRO 89 N 8.09 0.00 0.00 4.34 0.13 -1.96 -2.68 132.00 139.92 3iwd h PRO 89 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3iwd h PRO 89 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3iwd h PRO 89 CO 0.57 0.20 -0.07 -1.49 -0.23 0.00 0.00 178.00 176.99 3iwd h TRP 90 N 0.00 0.00 -0.24 1.56 4.06 -1.95 -0.91 115.95 118.47 3iwd h TRP 90 Ca -0.00 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.76 3iwd h TRP 90 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 3iwd h TRP 90 CO 0.00 0.07 -0.59 0.87 -3.56 0.00 0.00 178.44 175.22 3iwd h LYS 91 N 0.00 0.82 -0.70 0.49 1.79 -1.91 -1.15 116.57 115.90 3iwd h LYS 91 Ca -0.00 -0.57 -0.06 0.00 -2.18 0.00 0.00 60.65 57.84 3iwd h LYS 91 Cb 0.33 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 3iwd h LYS 91 CO 0.01 1.19 0.19 0.00 -1.08 0.00 0.00 179.45 179.76 3iwd h ALA 92 N 0.63 0.92 -0.20 3.86 0.00 -1.42 -1.37 119.26 121.67 3iwd h ALA 92 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3iwd h ALA 92 Cb 1.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3iwd h ALA 92 CO 0.13 0.63 0.12 0.35 0.00 0.00 0.00 179.25 180.48 3iwd h PHE 93 N 1.05 0.27 -0.78 0.00 3.57 -1.11 -1.23 116.94 118.70 3iwd h PHE 93 Ca 0.22 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3iwd h PHE 93 Cb 0.35 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3iwd h PHE 93 CO 0.03 0.22 0.50 0.93 -2.23 0.00 0.00 178.31 177.76 3iwd h GLU 94 N 0.23 0.95 -0.36 1.11 4.39 -0.88 -0.15 114.58 119.87 3iwd h GLU 94 Ca 0.07 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3iwd h GLU 94 Cb 0.04 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3iwd h GLU 94 CO -0.01 0.63 -0.06 1.25 -1.16 0.00 0.00 179.01 179.65 3iwd h HIS 95 N 0.98 0.75 -0.34 4.33 2.76 -1.03 -2.93 115.15 119.66 3iwd h HIS 95 Ca 0.31 -0.15 -0.16 0.00 -2.20 0.00 0.00 60.37 58.16 3iwd h HIS 95 Cb 0.01 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3iwd h HIS 95 CO -0.03 0.82 -0.43 -0.07 -1.30 0.00 0.00 177.93 176.91 3iwd h LEU 96 N 0.47 0.93 -0.44 0.26 3.38 -1.02 -0.88 115.31 118.01 3iwd h LEU 96 Ca 0.09 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3iwd h LEU 96 Cb 0.56 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3iwd h LEU 96 CO 0.03 1.23 0.17 0.50 0.09 0.00 0.00 178.44 180.46 3iwd h LYS 97 N 0.70 0.33 -0.18 1.13 3.11 -1.06 0.69 116.57 121.29 3iwd h LYS 97 Ca 0.05 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 3iwd h LYS 97 Cb 1.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 3iwd h LYS 97 CO 0.10 0.22 0.01 0.87 -2.81 0.00 0.00 179.45 177.84 3iwd h LYS 98 N 0.34 0.32 -0.61 1.90 6.56 -1.45 -1.10 116.57 122.54 3iwd h LYS 98 Ca 0.20 -0.10 -0.04 0.00 -1.06 0.00 0.00 60.65 59.66 3iwd h LYS 98 Cb 0.19 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 3iwd h LYS 98 CO -0.20 0.52 0.22 0.00 -2.06 0.00 0.00 179.45 177.93 3iwd h ALA 99 N 0.79 1.25 0.00 3.86 0.00 -0.83 -2.89 119.26 121.44 3iwd h ALA 99 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iwd h ALA 99 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iwd h ALA 99 CO 0.01 0.54 -0.59 1.28 0.00 0.00 0.00 179.25 180.50 3iwd n LEU 100 N -4.30 0.67 -1.70 0.00 4.32 0.21 -4.97 117.00 111.23 3iwd n LEU 100 Ca 0.05 0.22 -0.15 0.00 -0.02 0.00 0.00 56.01 56.12 3iwd n LEU 100 Cb 0.18 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 41.78 3iwd n LEU 100 CO 0.39 -0.04 -0.19 0.29 -1.22 0.00 0.00 177.39 176.62 3iwd n LYS 101 N -2.05 -1.20 -1.81 3.23 4.76 -0.44 -4.96 118.16 115.69 3iwd n LYS 101 Ca 0.04 0.72 -0.41 0.00 -2.87 0.00 0.00 58.31 55.78 3iwd n LYS 101 Cb 0.43 -5.04 -0.01 0.00 -1.84 0.00 0.00 35.03 28.56 3iwd n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iwd s ALA 102 N -2.74 3.70 -0.72 7.82 0.00 -1.09 -4.91 121.76 123.81 3iwd s ALA 102 Ca 0.00 1.54 0.20 0.00 0.00 0.00 0.00 51.96 53.71 3iwd s ALA 102 Cb -0.00 -3.63 -0.25 0.00 0.00 0.00 0.00 23.12 19.24 3iwd s ALA 102 CO 0.00 -0.97 0.76 1.17 0.00 0.00 0.00 175.76 176.72 3iwd n LYS 103 N 1.84 0.38 -3.71 0.00 4.81 -1.26 -4.94 118.16 115.28 3iwd n LYS 103 Ca 0.06 -0.05 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 3iwd n LYS 103 Cb 0.38 -1.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 3iwd n LYS 103 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3iwd s ARG 104 N -3.05 0.49 0.04 1.64 3.52 -1.26 -5.17 118.95 115.16 3iwd s ARG 104 Ca 0.04 0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 56.34 3iwd s ARG 104 Cb 0.15 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.66 3iwd s ARG 104 CO 0.84 -0.10 -0.00 0.14 -0.81 0.00 0.00 175.30 175.37 3iwd s VAL 105 N 0.74 0.18 -0.05 7.11 -7.23 -1.26 -5.13 120.40 114.75 3iwd s VAL 105 Ca -0.04 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3iwd s VAL 105 Cb -0.05 -1.11 0.03 0.00 0.56 0.00 0.00 36.38 35.80 3iwd s VAL 105 CO -0.05 -0.80 -0.02 -2.28 -0.31 0.00 0.00 175.10 171.64 3iwd s HIS 106 N -3.13 0.61 -0.04 2.82 2.46 -1.26 -5.14 115.29 111.62 3iwd s HIS 106 Ca -0.00 -0.14 0.03 0.00 0.47 0.00 0.00 55.06 55.41 3iwd s HIS 106 Cb 0.02 -0.66 0.01 0.00 -0.13 0.00 0.00 32.58 31.82 3iwd s HIS 106 CO -0.07 -0.23 -0.11 0.08 -2.47 0.00 0.00 174.74 171.94 3iwd s VAL 107 N 1.35 0.96 -0.17 0.89 1.01 -1.26 -5.11 120.40 118.07 3iwd s VAL 107 Ca -0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 3iwd s VAL 107 Cb -0.13 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 3iwd s VAL 107 CO -0.02 0.30 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 3iwd s VAL 108 N 0.32 2.71 -0.24 2.92 1.01 -1.26 -5.11 120.40 120.74 3iwd s VAL 108 Ca -0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3iwd s VAL 108 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3iwd s VAL 108 CO 0.01 0.51 0.14 -0.70 0.00 0.00 0.00 175.10 175.06 3iwd s GLU 109 N 0.94 3.95 0.07 2.72 2.12 -1.26 -5.09 118.70 122.16 3iwd s GLU 109 Ca -0.03 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.01 3iwd s GLU 109 Cb -0.15 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3iwd s GLU 109 CO -0.02 -0.01 0.00 -1.01 -0.54 0.00 0.00 175.26 173.69 3iwd s HIS 110 N 1.22 3.02 -0.42 5.30 3.76 -1.26 -5.09 115.29 121.82 3iwd s HIS 110 Ca 0.06 0.00 -0.10 0.00 -0.15 0.00 0.00 55.06 54.87 3iwd s HIS 110 Cb -0.14 -1.57 0.07 0.00 1.11 0.00 0.00 32.58 32.05 3iwd s HIS 110 CO 0.05 0.48 0.27 -1.21 -0.85 0.00 0.00 174.74 173.48 3iwd s GLU 111 N -2.15 2.69 -0.12 1.40 2.02 -1.26 -5.07 118.70 116.22 3iwd s GLU 111 Ca 0.25 -1.38 -0.23 0.00 0.02 0.00 0.00 54.97 53.62 3iwd s GLU 111 Cb -0.12 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 3iwd s GLU 111 CO 0.17 -0.92 0.69 1.03 0.02 0.00 0.00 175.26 176.24 3iwd s ARG 112 N 1.48 4.35 -0.61 1.61 1.81 -1.26 -4.23 118.95 122.09 3iwd s ARG 112 Ca 0.03 0.80 -0.02 0.00 -1.72 0.00 0.00 55.73 54.82 3iwd s ARG 112 Cb -0.23 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.75 3iwd s ARG 112 CO 0.03 -0.07 0.53 0.41 -0.68 0.00 0.00 175.30 175.52 3iwd n GLY 113 N 3.35 -0.18 3.69 -3.53 0.00 -1.26 -4.93 105.19 102.33 3iwd n GLY 113 Ca -0.01 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3iwd n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwd s ARG 114 N -4.06 4.14 0.32 1.61 0.52 -1.26 -4.88 118.95 115.33 3iwd s ARG 114 Ca 0.18 2.60 0.10 0.00 -0.52 0.00 0.00 55.73 58.09 3iwd s ARG 114 Cb -0.02 -3.61 0.96 0.00 0.52 0.00 0.00 34.95 32.80 3iwd s ARG 114 CO 0.41 -0.85 1.63 1.88 0.02 0.00 0.00 175.30 178.40 3iwd h TYR 115 N 8.66 0.60 0.00 -0.53 0.05 -1.91 0.14 116.97 123.98 3iwd h TYR 115 Ca -0.46 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.36 3iwd h TYR 115 Cb 1.22 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3iwd h TYR 115 CO 0.80 -0.27 0.00 -0.40 -1.05 0.00 0.00 178.16 177.24 3iwd n ASP 116 N -5.19 0.00 -0.05 3.88 5.68 -1.26 -3.34 116.55 116.26 3iwd n ASP 116 Ca 0.28 -0.27 -0.19 0.00 -0.50 0.00 0.00 54.79 54.12 3iwd n ASP 116 Cb 0.90 -0.24 -0.13 0.00 -1.14 0.00 0.00 41.12 40.51 3iwd n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iwd n GLU 117 N -1.24 0.71 0.00 0.11 -0.58 0.46 -5.27 120.64 114.82 3iwd n GLU 117 Ca 0.15 0.21 0.14 0.00 -0.42 0.00 0.00 57.16 57.24 3iwd n GLU 117 Cb 0.21 -1.64 0.56 0.00 -0.57 0.00 0.00 31.44 30.01 3iwd n GLU 117 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09