#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxy h ALA 37 N 0.00 0.70 0.66 -1.41 0.00 -1.99 -0.74 119.26 116.49 3dxy h ALA 37 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3dxy h ALA 37 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dxy h ALA 37 CO 0.00 0.07 -0.38 -0.07 0.00 0.00 0.00 179.25 178.88 3dxy h LEU 38 N 0.68 -0.93 -0.77 0.00 3.38 -1.93 0.13 115.31 115.87 3dxy h LEU 38 Ca 0.22 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.35 3dxy h LEU 38 Cb -0.01 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3dxy h LEU 38 CO -0.08 -0.60 0.38 -0.33 0.09 0.00 0.00 178.44 177.90 3dxy h GLU 39 N -0.97 0.59 -0.14 1.13 5.08 -1.97 0.98 114.58 119.28 3dxy h GLU 39 Ca -0.08 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 3dxy h GLU 39 Cb 0.77 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.89 3dxy h GLU 39 CO 0.11 0.39 -0.54 -0.91 -1.00 0.00 0.00 179.01 177.06 3dxy h ASN 40 N 0.61 0.72 0.00 1.42 2.35 -0.95 -3.40 115.58 116.33 3dxy h ASN 40 Ca 0.40 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3dxy h ASN 40 Cb 0.49 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3dxy h ASN 40 CO -0.32 1.21 -0.98 -1.22 -1.65 0.00 0.00 177.43 174.47 3dxy n TYR 41 N -4.17 0.00 -0.29 1.19 4.01 0.44 -4.47 117.16 113.88 3dxy n TYR 41 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.68 3dxy n TYR 41 Cb 0.62 -0.12 0.15 0.00 -0.31 0.00 0.00 39.34 39.67 3dxy n TYR 41 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3dxy h TRP 42 N 0.00 0.86 -0.00 -0.72 2.91 -0.92 -1.12 115.95 116.95 3dxy h TRP 42 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3dxy h TRP 42 Cb 0.35 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3dxy h TRP 42 CO 0.00 0.38 0.01 -1.35 -1.03 0.00 0.00 178.44 176.45 3dxy h PRO 43 N 0.82 0.00 0.05 2.65 0.11 -1.78 1.00 132.00 134.84 3dxy h PRO 43 Ca 0.37 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.18 3dxy h PRO 43 Cb 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3dxy h PRO 43 CO -0.22 0.00 -1.69 1.55 -0.21 0.00 0.00 178.00 177.43 3dxy n VAL 44 N -3.98 1.62 0.42 3.15 3.14 -0.76 -4.66 118.33 117.26 3dxy n VAL 44 Ca -0.03 -0.31 0.06 0.00 -2.96 0.00 0.00 64.34 61.10 3dxy n VAL 44 Cb 0.09 -1.89 -0.08 0.00 -1.06 0.00 0.00 33.84 30.90 3dxy n VAL 44 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 3dxy n MET 45 N -4.03 2.15 -2.71 1.45 2.81 -0.50 -5.00 117.12 111.31 3dxy n MET 45 Ca -0.35 -0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.17 3dxy n MET 45 Cb 0.84 -1.15 -0.06 0.00 -0.71 0.00 0.00 33.22 32.15 3dxy n MET 45 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dxy s GLY 46 N -2.56 2.47 -0.12 3.03 0.00 0.34 -0.99 107.32 109.49 3dxy s GLY 46 Ca 0.02 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.24 3dxy s GLY 46 CO 0.52 0.80 -0.12 0.14 0.00 0.00 0.00 173.10 174.44 3dxy s VAL 47 N -2.05 1.33 0.51 1.40 1.01 0.30 -4.85 120.40 118.04 3dxy s VAL 47 Ca 0.63 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 3dxy s VAL 47 Cb -0.13 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 3dxy s VAL 47 CO 0.17 0.41 1.04 -1.61 0.00 0.00 0.00 175.10 175.11 3dxy s GLU 48 N 1.36 3.72 0.43 2.72 0.41 -1.26 -4.52 118.70 121.56 3dxy s GLU 48 Ca 0.00 1.30 -0.26 0.00 -0.41 0.00 0.00 54.97 55.61 3dxy s GLU 48 Cb -0.13 -2.09 -0.08 0.00 -1.78 0.00 0.00 34.13 30.05 3dxy s GLU 48 CO -0.06 -0.49 1.36 0.12 -0.49 0.00 0.00 175.26 175.70 3dxy s PHE 49 N -2.12 2.64 0.02 1.61 5.36 -1.26 -5.02 117.98 119.21 3dxy s PHE 49 Ca 0.66 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.93 3dxy s PHE 49 Cb -0.16 -3.79 -0.01 0.00 -0.34 0.00 0.00 43.02 38.72 3dxy s PHE 49 CO 0.24 -2.50 0.05 0.45 -1.46 0.00 0.00 175.22 172.00 3dxy s SER 50 N -0.63 0.18 0.00 6.13 0.15 -1.26 -5.02 113.70 113.25 3dxy s SER 50 Ca 0.59 -0.45 0.20 0.00 0.70 0.00 0.00 55.95 56.99 3dxy s SER 50 Cb -0.41 0.17 0.88 0.00 -1.71 0.00 0.00 66.02 64.95 3dxy s SER 50 CO 0.52 -0.39 1.64 -1.84 1.20 0.00 0.00 173.24 174.38 3dxy n GLU 51 N 1.28 0.05 -4.23 5.44 0.28 -1.26 -4.67 120.64 117.53 3dxy n GLU 51 Ca -0.22 0.15 -0.25 0.00 -0.16 0.00 0.00 57.16 56.68 3dxy n GLU 51 Cb 0.56 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.86 3dxy n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3dxy s ASP 52 N -2.92 4.71 0.39 -1.84 1.01 -1.26 -4.89 116.67 111.86 3dxy s ASP 52 Ca 0.11 -0.48 -0.26 0.00 0.71 0.00 0.00 52.55 52.63 3dxy s ASP 52 Cb 0.13 -0.97 -0.09 0.00 1.01 0.00 0.00 42.92 43.00 3dxy s ASP 52 CO 0.35 0.05 1.28 -0.04 0.21 0.00 0.00 175.17 177.03 3dxy s MET 53 N -3.22 4.07 0.46 8.23 -1.94 -1.19 -4.38 119.30 121.34 3dxy s MET 53 Ca 0.29 2.11 -0.23 0.00 -1.71 0.00 0.00 55.69 56.15 3dxy s MET 53 Cb -0.08 -2.82 -0.07 0.00 2.01 0.00 0.00 34.83 33.87 3dxy s MET 53 CO 0.19 -0.39 1.15 -0.51 -0.01 0.00 0.00 175.02 175.46 3dxy s LEU 54 N -2.29 3.99 -0.43 -0.03 1.43 0.29 -5.01 118.68 116.63 3dxy s LEU 54 Ca 0.55 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 55.84 3dxy s LEU 54 Cb -0.37 -4.28 0.10 0.00 0.03 0.00 0.00 46.19 41.67 3dxy s LEU 54 CO 0.48 -0.92 0.27 -0.62 0.23 0.00 0.00 176.35 175.79 3dxy s ASP 55 N -1.43 5.57 0.14 2.29 -1.08 -1.26 -4.69 116.67 116.21 3dxy s ASP 55 Ca 0.64 -1.74 -0.16 0.00 -0.52 0.00 0.00 52.55 50.77 3dxy s ASP 55 Cb -0.27 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3dxy s ASP 55 CO 0.33 -0.59 1.70 -0.26 0.52 0.00 0.00 175.17 176.87 3dxy h PHE 56 N 8.35 0.61 -0.90 -5.34 0.04 -1.95 -0.36 116.94 117.39 3dxy h PHE 56 Ca -0.20 -0.04 0.14 0.00 2.80 0.00 0.00 57.97 60.66 3dxy h PHE 56 Cb 1.07 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.95 3dxy h PHE 56 CO 0.61 0.52 0.52 -1.35 -0.60 0.00 0.00 178.31 178.01 3dxy h PRO 57 N 0.52 0.75 -0.50 1.51 0.11 -1.96 0.13 132.00 132.56 3dxy h PRO 57 Ca 0.14 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 3dxy h PRO 57 Cb 0.16 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3dxy h PRO 57 CO -0.01 0.49 -0.10 0.00 -0.21 0.00 0.00 178.00 178.17 3dxy h ALA 58 N 1.55 0.68 -0.27 -0.75 0.00 -1.72 0.16 119.26 118.91 3dxy h ALA 58 Ca 0.48 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dxy h ALA 58 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dxy h ALA 58 CO -0.32 0.58 -0.08 1.25 0.00 0.00 0.00 179.25 180.68 3dxy h LEU 59 N 0.80 0.53 -0.65 0.00 5.85 -0.51 -3.31 115.31 118.03 3dxy h LEU 59 Ca 0.13 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3dxy h LEU 59 Cb 0.66 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3dxy h LEU 59 CO 0.05 0.79 -0.65 0.49 -0.34 0.00 0.00 178.44 178.77 3dxy n PHE 60 N -4.51 0.00 -1.08 1.25 3.72 0.40 -4.97 117.46 112.27 3dxy n PHE 60 Ca -0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 3dxy n PHE 60 Cb 0.32 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3dxy n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dxy n GLY 61 N 1.44 0.59 3.73 1.37 0.00 0.56 -4.96 105.19 107.92 3dxy n GLY 61 Ca 0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 3dxy n GLY 61 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxy s ARG 62 N -1.50 1.14 -0.38 1.61 1.70 -1.11 -5.02 118.95 115.39 3dxy s ARG 62 Ca 0.00 -0.62 -0.15 0.00 -0.47 0.00 0.00 55.73 54.49 3dxy s ARG 62 Cb 0.00 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3dxy s ARG 62 CO 0.00 -0.52 0.31 -1.21 -1.08 0.00 0.00 175.30 172.80 3dxy s GLU 63 N -3.24 3.21 0.10 3.89 2.02 -1.26 -3.94 118.70 119.49 3dxy s GLU 63 Ca 0.12 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.17 3dxy s GLU 63 Cb -0.01 -3.91 0.03 0.00 0.10 0.00 0.00 34.13 30.34 3dxy s GLU 63 CO 0.01 -0.65 0.34 0.00 0.02 0.00 0.00 175.26 174.99 3dxy s ALA 64 N 1.80 -0.76 0.51 5.21 0.00 -1.26 -5.13 121.76 122.14 3dxy s ALA 64 Ca 0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.68 3dxy s ALA 64 Cb -0.18 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.45 3dxy s ALA 64 CO 0.11 -0.57 1.36 -2.30 0.00 0.00 0.00 175.76 174.36 3dxy n PRO 65 N -0.02 1.84 -5.15 0.00 -0.02 -1.26 -4.72 135.00 125.67 3dxy n PRO 65 Ca -0.16 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 3dxy n PRO 65 Cb 0.63 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 3dxy n PRO 65 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxy s VAL 66 N -1.26 2.18 -0.08 -1.45 1.01 -1.26 -0.56 120.40 118.99 3dxy s VAL 66 Ca 0.68 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3dxy s VAL 66 Cb -0.43 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3dxy s VAL 66 CO 0.52 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 175.13 3dxy s THR 67 N 0.36 2.94 -0.16 3.92 2.01 -0.38 -0.52 115.64 123.80 3dxy s THR 67 Ca -0.18 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 3dxy s THR 67 Cb -0.18 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 3dxy s THR 67 CO 0.08 0.57 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.29 3dxy s LEU 68 N -0.32 2.97 -0.22 4.42 2.96 -0.13 -0.77 118.68 127.59 3dxy s LEU 68 Ca 0.03 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3dxy s LEU 68 Cb -0.13 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3dxy s LEU 68 CO 0.02 0.13 0.02 -0.70 -1.32 0.00 0.00 176.35 174.50 3dxy s GLU 69 N 0.60 3.59 -0.18 1.98 2.12 -0.03 -0.30 118.70 126.48 3dxy s GLU 69 Ca -0.05 -0.52 -0.15 0.00 0.36 0.00 0.00 54.97 54.62 3dxy s GLU 69 Cb -0.15 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3dxy s GLU 69 CO 0.03 -0.09 0.34 0.42 -0.54 0.00 0.00 175.26 175.41 3dxy s ILE 70 N 1.30 5.26 -0.71 -3.70 1.01 0.16 -1.04 121.20 123.48 3dxy s ILE 70 Ca 0.04 0.62 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 3dxy s ILE 70 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 3dxy s ILE 70 CO 0.01 0.32 0.60 0.61 0.00 0.00 0.00 174.94 176.48 3dxy n GLY 71 N 3.70 -0.17 0.00 6.18 0.00 0.16 -4.32 105.19 110.75 3dxy n GLY 71 Ca -0.10 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3dxy n GLY 71 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3dxy n PHE 72 N -2.80 0.00 0.00 1.61 1.16 -1.18 -4.75 117.46 111.50 3dxy n PHE 72 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.45 3dxy n PHE 72 Cb 0.59 -0.36 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 3dxy n PHE 72 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dxy n GLY 73 N 0.16 3.57 0.10 4.97 0.00 -1.26 -0.99 105.19 111.74 3dxy n GLY 73 Ca 0.07 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3dxy n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dxy n MET 74 N 13.44 0.73 -1.01 1.61 2.81 -1.26 -3.92 117.12 129.52 3dxy n MET 74 Ca 0.00 -0.21 -0.00 0.00 -1.81 0.00 0.00 57.70 55.68 3dxy n MET 74 Cb 0.00 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.01 3dxy n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxy n GLY 75 N 1.24 0.46 0.18 3.03 0.00 -0.16 -2.40 105.19 107.55 3dxy n GLY 75 Ca 0.16 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3dxy n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxy h ALA 76 N 0.00 0.53 -0.52 4.61 0.00 -1.92 0.54 119.26 122.50 3dxy h ALA 76 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dxy h ALA 76 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3dxy h ALA 76 CO 0.01 -0.01 0.19 1.03 0.00 0.00 0.00 179.25 180.47 3dxy h SER 77 N 0.56 0.74 -0.35 0.00 0.87 -1.92 -1.45 113.55 112.00 3dxy h SER 77 Ca 0.15 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 3dxy h SER 77 Cb -0.05 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3dxy h SER 77 CO -0.03 0.73 -0.07 0.25 -0.53 0.00 0.00 176.83 177.17 3dxy h LEU 78 N 0.71 0.67 -0.46 2.23 5.85 -1.79 0.78 115.31 123.31 3dxy h LEU 78 Ca 0.17 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3dxy h LEU 78 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3dxy h LEU 78 CO -0.01 0.87 0.19 0.58 -0.34 0.00 0.00 178.44 179.73 3dxy h VAL 79 N 0.46 1.20 -0.68 1.05 2.07 -0.88 -0.37 116.25 119.10 3dxy h VAL 79 Ca 0.09 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3dxy h VAL 79 Cb 0.57 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3dxy h VAL 79 CO 0.03 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.27 3dxy h ALA 80 N 1.03 0.87 0.25 1.67 0.00 -0.97 0.45 119.26 122.56 3dxy h ALA 80 Ca 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dxy h ALA 80 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dxy h ALA 80 CO -0.01 0.33 -0.22 1.98 0.00 0.00 0.00 179.25 181.33 3dxy h MET 81 N 0.93 -0.47 -0.56 0.00 -1.53 -0.62 -1.79 114.93 110.89 3dxy h MET 81 Ca 0.25 0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.48 3dxy h MET 81 Cb -0.05 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 3dxy h MET 81 CO -0.05 -0.31 0.10 0.00 0.14 0.00 0.00 176.91 176.79 3dxy h ALA 82 N 0.21 1.12 -0.74 0.39 0.00 -0.83 -1.97 119.26 117.43 3dxy h ALA 82 Ca -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3dxy h ALA 82 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3dxy h ALA 82 CO -0.03 0.58 0.26 -0.22 0.00 0.00 0.00 179.25 179.84 3dxy h LYS 83 N 0.84 1.12 0.00 0.00 3.64 -0.76 -2.81 116.57 118.61 3dxy h LYS 83 Ca 0.18 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3dxy h LYS 83 Cb 0.36 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3dxy h LYS 83 CO 0.01 0.94 0.00 0.22 -2.27 0.00 0.00 179.45 178.35 3dxy h ASP 84 N 1.08 0.00 -2.13 4.20 3.58 -0.99 -3.37 116.42 118.79 3dxy h ASP 84 Ca 0.24 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.12 3dxy h ASP 84 Cb 0.26 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.90 3dxy h ASP 84 CO -0.01 0.00 -0.83 0.54 -2.88 0.00 0.00 179.24 176.06 3dxy n ARG 85 N -2.83 1.92 0.30 0.28 1.74 -0.77 -4.92 116.66 112.38 3dxy n ARG 85 Ca 0.04 -4.12 0.20 0.00 -0.77 0.00 0.00 57.85 53.20 3dxy n ARG 85 Cb 0.45 -1.88 1.01 0.00 -1.02 0.00 0.00 32.46 31.03 3dxy n ARG 85 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dxy h PRO 86 N 3.78 0.00 -0.00 5.56 0.13 -1.73 -1.50 132.00 138.24 3dxy h PRO 86 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3dxy h PRO 86 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3dxy h PRO 86 CO 0.68 0.00 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.54 3dxy n GLU 87 N -2.95 0.12 -4.37 0.86 0.00 -1.26 -4.85 120.64 108.19 3dxy n GLU 87 Ca -0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 57.16 56.88 3dxy n GLU 87 Cb 0.12 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.97 3dxy n GLU 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3dxy s GLN 88 N -2.89 2.03 0.15 3.44 -0.21 -0.56 -4.58 119.66 117.03 3dxy s GLN 88 Ca 0.17 -1.73 0.09 0.00 0.02 0.00 0.00 55.36 53.90 3dxy s GLN 88 Cb 0.19 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.25 3dxy s GLN 88 CO 0.53 0.19 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.25 3dxy s ASP 89 N -3.67 4.15 -0.02 5.90 1.01 0.27 -4.84 116.67 119.46 3dxy s ASP 89 Ca 0.34 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 53.05 3dxy s ASP 89 Cb -0.01 -0.67 0.02 0.00 1.01 0.00 0.00 42.92 43.26 3dxy s ASP 89 CO 0.19 0.14 -0.02 -0.36 0.21 0.00 0.00 175.17 175.32 3dxy s PHE 90 N -1.48 0.42 -0.08 4.23 0.08 0.18 -1.25 117.98 120.08 3dxy s PHE 90 Ca 0.22 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.25 3dxy s PHE 90 Cb -0.10 -0.40 -0.00 0.00 -0.57 0.00 0.00 43.02 41.95 3dxy s PHE 90 CO 0.13 -0.10 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.78 3dxy s LEU 91 N 0.62 1.98 0.06 -0.37 2.96 0.05 -1.06 118.68 122.91 3dxy s LEU 91 Ca -0.07 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.46 3dxy s LEU 91 Cb -0.10 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 3dxy s LEU 91 CO -0.01 0.15 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.12 3dxy s GLY 92 N 0.26 1.52 -0.07 7.98 0.00 -0.05 -0.85 107.32 116.11 3dxy s GLY 92 Ca -0.13 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.36 3dxy s GLY 92 CO 0.06 -1.17 -0.18 -0.42 0.00 0.00 0.00 173.10 171.39 3dxy s ILE 93 N -0.91 1.55 -0.24 0.90 1.01 -0.21 -0.41 121.20 122.90 3dxy s ILE 93 Ca 0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3dxy s ILE 93 Cb -0.10 -1.35 0.10 0.00 0.01 0.00 0.00 42.46 41.12 3dxy s ILE 93 CO 0.04 0.45 0.53 -0.70 0.00 0.00 0.00 174.94 175.26 3dxy s GLU 94 N 0.28 0.46 0.06 2.79 2.56 -0.36 0.40 118.70 124.90 3dxy s GLU 94 Ca -0.11 1.21 0.28 0.00 0.00 0.00 0.00 54.97 56.36 3dxy s GLU 94 Cb -0.15 0.53 1.09 0.00 2.00 0.00 0.00 34.13 37.61 3dxy s GLU 94 CO 0.04 -0.22 1.87 1.33 -0.56 0.00 0.00 175.26 177.73 3dxy n VAL 95 N 5.29 0.18 -2.95 3.70 0.24 -1.26 -4.18 118.33 119.36 3dxy n VAL 95 Ca -0.12 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 3dxy n VAL 95 Cb 0.50 -0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 32.32 3dxy n VAL 95 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3dxy s HIS 96 N -3.03 2.82 0.36 6.34 5.04 -1.26 -4.90 115.29 120.66 3dxy s HIS 96 Ca 0.13 -0.46 0.06 0.00 -1.54 0.00 0.00 55.06 53.25 3dxy s HIS 96 Cb 0.17 -4.05 0.69 0.00 0.04 0.00 0.00 32.58 29.44 3dxy s HIS 96 CO 0.56 -1.40 1.91 0.66 -2.34 0.00 0.00 174.74 174.12 3dxy h SER 97 N 9.34 0.40 -0.35 9.88 4.64 -1.98 -0.79 113.55 134.70 3dxy h SER 97 Ca -0.28 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.01 3dxy h SER 97 Cb 1.08 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3dxy h SER 97 CO 1.10 0.48 0.23 -0.65 -0.87 0.00 0.00 176.83 177.12 3dxy h PRO 98 N 0.42 0.32 -0.45 4.77 0.11 -1.96 -0.58 132.00 134.63 3dxy h PRO 98 Ca 0.09 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 3dxy h PRO 98 Cb 0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3dxy h PRO 98 CO 0.01 0.21 -0.14 0.78 -0.21 0.00 0.00 178.00 178.64 3dxy h GLY 99 N 0.33 0.97 0.73 -0.55 0.00 -1.35 -1.42 103.07 101.78 3dxy h GLY 99 Ca 0.14 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.69 3dxy h GLY 99 CO -0.03 0.75 0.25 -2.08 0.00 0.00 0.00 176.54 175.43 3dxy h VAL 100 N 0.73 0.96 -0.48 4.60 2.07 -0.94 0.10 116.25 123.29 3dxy h VAL 100 Ca 0.11 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3dxy h VAL 100 Cb 0.70 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3dxy h VAL 100 CO 0.05 0.09 0.19 1.23 0.02 0.00 0.00 177.57 179.15 3dxy h GLY 101 N 0.49 0.77 0.98 2.17 0.00 -0.98 -0.39 103.07 106.10 3dxy h GLY 101 Ca 0.22 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.14 3dxy h GLY 101 CO -0.15 0.39 0.47 0.00 0.00 0.00 0.00 176.54 177.25 3dxy h ALA 102 N 1.04 0.90 -0.37 3.60 0.00 -0.96 -0.52 119.26 122.95 3dxy h ALA 102 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dxy h ALA 102 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dxy h ALA 102 CO -0.01 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.68 3dxy h LEU 104 N 0.46 0.64 -0.65 0.00 3.38 -0.82 0.13 115.31 118.44 3dxy h LEU 104 Ca 0.12 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3dxy h LEU 104 Cb 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3dxy h LEU 104 CO -0.01 0.53 0.43 0.00 0.09 0.00 0.00 178.44 179.48 3dxy h ALA 105 N 1.14 0.83 -0.18 1.53 0.00 -0.95 -0.05 119.26 121.57 3dxy h ALA 105 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dxy h ALA 105 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dxy h ALA 105 CO -0.03 0.24 -0.02 0.77 0.00 0.00 0.00 179.25 180.22 3dxy h SER 106 N 0.87 0.32 -0.79 0.00 0.02 -1.02 -1.27 113.55 111.69 3dxy h SER 106 Ca 0.24 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3dxy h SER 106 Cb -0.09 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 3dxy h SER 106 CO -0.06 0.58 0.50 0.00 -1.14 0.00 0.00 176.83 176.71 3dxy h ALA 107 N 0.76 1.06 -0.31 3.77 0.00 -0.53 -0.50 119.26 123.51 3dxy h ALA 107 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dxy h ALA 107 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dxy h ALA 107 CO 0.01 0.29 0.05 1.25 0.00 0.00 0.00 179.25 180.84 3dxy h HIS 108 N 0.95 0.55 -0.39 0.00 6.17 -0.92 -1.97 115.15 119.55 3dxy h HIS 108 Ca 0.33 -0.08 0.03 0.00 0.71 0.00 0.00 60.37 61.36 3dxy h HIS 108 Cb 0.06 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 29.82 3dxy h HIS 108 CO -0.03 0.60 0.26 1.49 0.71 0.00 0.00 177.93 180.96 3dxy h GLU 109 N 0.34 0.41 -0.01 5.26 4.57 -0.72 -1.27 114.58 123.16 3dxy h GLU 109 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3dxy h GLU 109 Cb 0.35 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3dxy h GLU 109 CO 0.01 0.27 -0.08 0.39 -1.18 0.00 0.00 179.01 178.42 3dxy n GLU 110 N -4.48 1.28 -2.54 1.92 -0.58 -0.24 -4.94 120.64 111.06 3dxy n GLU 110 Ca 0.04 -0.67 -0.15 0.00 -0.42 0.00 0.00 57.16 55.96 3dxy n GLU 110 Cb 0.14 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.54 3dxy n GLU 110 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dxy n GLY 111 N 1.21 -0.19 3.74 0.62 0.00 -0.48 -4.97 105.19 105.12 3dxy n GLY 111 Ca 0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3dxy n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxy s LEU 112 N -4.47 4.47 0.00 0.99 1.43 -0.81 -4.93 118.68 115.37 3dxy s LEU 112 Ca 0.11 2.09 0.10 0.00 -1.03 0.00 0.00 54.13 55.40 3dxy s LEU 112 Cb -0.05 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 3dxy s LEU 112 CO 0.14 -0.26 0.54 -1.54 0.23 0.00 0.00 176.35 175.46 3dxy n SER 113 N 2.54 0.89 -1.26 2.29 3.41 -1.26 -4.69 113.62 115.54 3dxy n SER 113 Ca 0.03 -0.94 -0.00 0.00 -0.26 0.00 0.00 58.87 57.70 3dxy n SER 113 Cb 0.46 0.71 0.24 0.00 -0.26 0.00 0.00 64.21 65.36 3dxy n SER 113 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dxy n ASN 114 N -0.69 3.54 -4.04 4.04 6.94 -1.26 -4.94 115.26 118.85 3dxy n ASN 114 Ca 0.03 -3.36 -0.24 0.00 -0.02 0.00 0.00 54.58 50.99 3dxy n ASN 114 Cb 0.19 -0.63 -0.16 0.00 -2.36 0.00 0.00 39.78 36.82 3dxy n ASN 114 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3dxy s LEU 115 N -3.04 1.74 0.08 -4.53 0.20 -1.26 -0.65 118.68 111.22 3dxy s LEU 115 Ca 0.46 -0.28 0.05 0.00 0.69 0.00 0.00 54.13 55.05 3dxy s LEU 115 Cb 0.39 -0.79 -0.03 0.00 -0.43 0.00 0.00 46.19 45.33 3dxy s LEU 115 CO 0.07 0.07 -0.13 -0.13 -0.29 0.00 0.00 176.35 175.94 3dxy s ARG 116 N 0.40 0.83 0.08 1.98 1.81 -0.22 -4.82 118.95 119.00 3dxy s ARG 116 Ca -0.09 -1.01 0.04 0.00 -1.72 0.00 0.00 55.73 52.94 3dxy s ARG 116 Cb -0.13 -0.73 -0.03 0.00 -0.45 0.00 0.00 34.95 33.60 3dxy s ARG 116 CO 0.03 0.15 -0.10 0.14 -0.68 0.00 0.00 175.30 174.83 3dxy s VAL 117 N -1.62 0.88 0.11 3.52 -7.23 -0.16 -0.87 120.40 115.02 3dxy s VAL 117 Ca 0.00 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 3dxy s VAL 117 Cb -0.08 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3dxy s VAL 117 CO 0.02 -0.48 -0.15 -0.04 -0.31 0.00 0.00 175.10 174.14 3dxy s MET 118 N -2.41 1.00 -0.59 4.82 -1.94 0.46 -0.54 119.30 120.09 3dxy s MET 118 Ca 0.01 -1.17 0.04 0.00 -1.71 0.00 0.00 55.69 52.87 3dxy s MET 118 Cb -0.05 -0.98 0.16 0.00 2.01 0.00 0.00 34.83 35.97 3dxy s MET 118 CO 0.00 0.20 0.41 0.00 -0.01 0.00 0.00 175.02 175.62 3dxy s HIS 120 N -0.81 -0.43 -0.04 0.00 5.04 -1.26 -4.92 115.29 112.88 3dxy s HIS 120 Ca 0.25 0.57 -0.35 0.00 -1.54 0.00 0.00 55.06 53.99 3dxy s HIS 120 Cb -0.07 0.48 -0.13 0.00 0.04 0.00 0.00 32.58 32.90 3dxy s HIS 120 CO -0.14 -0.49 1.74 -3.47 -2.34 0.00 0.00 174.74 170.04 3dxy n ASP 121 N 0.38 3.05 0.01 9.88 2.03 -1.26 -4.53 116.55 126.10 3dxy n ASP 121 Ca -0.12 1.03 0.03 0.00 0.52 0.00 0.00 54.79 56.25 3dxy n ASP 121 Cb 0.59 -1.33 0.41 0.00 -0.72 0.00 0.00 41.12 40.07 3dxy n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dxy h ALA 122 N 7.71 1.65 -0.45 -1.67 0.00 -1.99 -1.95 119.26 122.57 3dxy h ALA 122 Ca -0.47 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3dxy h ALA 122 Cb 1.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3dxy h ALA 122 CO 0.92 0.30 0.03 0.28 0.00 0.00 0.00 179.25 180.78 3dxy h VAL 123 N 0.54 1.26 -0.67 0.00 2.07 -1.99 0.39 116.25 117.84 3dxy h VAL 123 Ca 0.14 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3dxy h VAL 123 Cb 0.01 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3dxy h VAL 123 CO -0.02 0.34 0.20 -0.33 0.02 0.00 0.00 177.57 177.78 3dxy h GLU 124 N 0.61 1.03 -0.46 1.57 5.08 -1.84 -1.03 114.58 119.54 3dxy h GLU 124 Ca 0.13 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3dxy h GLU 124 Cb 0.45 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3dxy h GLU 124 CO 0.02 0.88 0.16 0.28 -1.00 0.00 0.00 179.01 179.35 3dxy h VAL 125 N 0.99 1.22 -0.24 3.13 2.07 -1.04 -0.10 116.25 122.27 3dxy h VAL 125 Ca 0.22 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3dxy h VAL 125 Cb 0.29 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3dxy h VAL 125 CO -0.01 0.25 0.12 -0.07 0.02 0.00 0.00 177.57 177.88 3dxy h LEU 126 N 0.60 0.17 -0.49 2.57 3.38 -0.62 0.22 115.31 121.14 3dxy h LEU 126 Ca 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3dxy h LEU 126 Cb 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3dxy h LEU 126 CO -0.01 0.13 0.21 0.45 0.09 0.00 0.00 178.44 179.31 3dxy h HIS 127 N 0.25 0.73 0.00 1.13 3.86 -0.96 -3.23 115.15 116.93 3dxy h HIS 127 Ca 0.10 -0.05 -0.31 0.00 -1.16 0.00 0.00 60.37 58.95 3dxy h HIS 127 Cb 0.03 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.23 3dxy h HIS 127 CO -0.10 0.60 -2.11 1.63 0.86 0.00 0.00 177.93 178.81 3dxy n LYS 128 N -4.58 0.67 0.00 2.45 4.76 -0.07 -4.73 118.16 116.65 3dxy n LYS 128 Ca 0.02 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3dxy n LYS 128 Cb 0.14 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 3dxy n LYS 128 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3dxy n MET 129 N -2.81 2.45 -3.53 1.97 2.81 0.73 -3.15 117.12 115.60 3dxy n MET 129 Ca -0.25 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.24 3dxy n MET 129 Cb 1.07 -0.76 -0.10 0.00 -0.71 0.00 0.00 33.22 32.72 3dxy n MET 129 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dxy s ILE 130 N -1.38 5.28 0.53 2.02 -1.09 -0.99 -0.54 121.20 125.01 3dxy s ILE 130 Ca 0.00 -0.11 -0.21 0.00 -2.23 0.00 0.00 60.65 58.09 3dxy s ILE 130 Cb 0.00 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3dxy s ILE 130 CO 0.00 0.03 1.26 -2.84 -1.23 0.00 0.00 174.94 172.16 3dxy s PRO 131 N 1.76 3.31 0.53 2.79 0.02 -1.26 -4.85 135.00 137.30 3dxy s PRO 131 Ca 0.07 1.99 -0.21 0.00 0.02 0.00 0.00 61.00 62.86 3dxy s PRO 131 Cb -0.17 -2.24 -0.07 0.00 0.02 0.00 0.00 34.50 32.05 3dxy s PRO 131 CO 0.11 -0.97 1.05 -0.25 -0.33 0.00 0.00 177.00 176.61 3dxy n ASP 132 N -0.97 1.30 -1.79 2.53 8.00 -1.26 -3.14 116.55 121.22 3dxy n ASP 132 Ca 0.10 0.92 -0.20 0.00 0.71 0.00 0.00 54.79 56.32 3dxy n ASP 132 Cb 0.47 -1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.10 3dxy n ASP 132 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dxy n ASN 133 N -0.35 -5.52 -0.01 -2.24 3.02 -0.10 -4.87 115.26 105.19 3dxy n ASN 133 Ca 0.11 0.32 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 3dxy n ASN 133 Cb 0.44 -4.70 -0.16 0.00 -0.61 0.00 0.00 39.78 34.75 3dxy n ASN 133 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3dxy n SER 134 N -1.44 0.28 -4.72 6.41 3.41 -0.48 -3.84 113.62 113.24 3dxy n SER 134 Ca -0.21 -0.26 -0.35 0.00 -0.26 0.00 0.00 58.87 57.79 3dxy n SER 134 Cb 0.67 1.74 -0.09 0.00 -0.26 0.00 0.00 64.21 66.27 3dxy n SER 134 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dxy s LEU 135 N -4.12 3.77 0.14 1.04 1.43 0.23 -4.56 118.68 116.61 3dxy s LEU 135 Ca -0.04 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3dxy s LEU 135 Cb 0.14 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 3dxy s LEU 135 CO 0.89 0.36 1.32 -0.09 0.23 0.00 0.00 176.35 179.07 3dxy h ARG 136 N 5.29 0.37 -2.12 1.70 9.65 -1.12 0.17 114.38 128.31 3dxy h ARG 136 Ca -0.50 -0.40 -0.06 0.00 -1.10 0.00 0.00 59.98 57.92 3dxy h ARG 136 Cb 1.20 0.11 -0.20 0.00 -1.39 0.00 0.00 29.97 29.69 3dxy h ARG 136 CO 0.57 1.07 0.11 1.41 2.80 0.00 0.00 179.97 185.93 3dxy s MET 137 N -3.27 0.92 -0.10 0.20 1.75 -1.23 -2.07 119.30 115.50 3dxy s MET 137 Ca -0.05 0.50 0.03 0.00 -1.25 0.00 0.00 55.69 54.91 3dxy s MET 137 Cb 0.09 0.44 0.01 0.00 2.84 0.00 0.00 34.83 38.21 3dxy s MET 137 CO 0.86 -0.22 -0.19 0.08 -0.65 0.00 0.00 175.02 174.89 3dxy s VAL 138 N -0.58 1.71 -0.07 10.11 1.01 -0.25 -0.96 120.40 131.37 3dxy s VAL 138 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3dxy s VAL 138 Cb -0.02 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3dxy s VAL 138 CO 0.06 0.48 -0.10 -1.10 0.00 0.00 0.00 175.10 174.44 3dxy s GLN 139 N 0.62 2.77 -0.34 2.72 -0.21 0.59 -0.74 119.66 125.07 3dxy s GLN 139 Ca -0.14 -0.62 -0.00 0.00 0.02 0.00 0.00 55.36 54.62 3dxy s GLN 139 Cb -0.16 -2.53 0.13 0.00 1.00 0.00 0.00 33.01 31.45 3dxy s GLN 139 CO 0.04 0.58 0.22 -1.17 -2.12 0.00 0.00 175.29 172.83 3dxy s LEU 140 N -0.59 0.73 -0.23 2.90 2.96 -0.08 -0.66 118.68 123.71 3dxy s LEU 140 Ca 0.09 -1.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.02 3dxy s LEU 140 Cb -0.12 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 3dxy s LEU 140 CO 0.02 -0.33 0.07 -0.36 -1.32 0.00 0.00 176.35 174.43 3dxy s PHE 141 N 1.35 3.14 -1.31 5.38 0.08 -1.26 -1.40 117.98 123.96 3dxy s PHE 141 Ca 0.16 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.99 3dxy s PHE 141 Cb -0.21 -2.19 -0.00 0.00 -0.57 0.00 0.00 43.02 40.06 3dxy s PHE 141 CO -0.08 -0.17 0.67 1.19 -0.10 0.00 0.00 175.22 176.73 3dxy n PHE 142 N 4.44 -1.88 -1.55 0.36 3.72 0.84 -4.93 117.46 118.45 3dxy n PHE 142 Ca -0.16 0.82 -0.35 0.00 -0.05 0.00 0.00 57.45 57.71 3dxy n PHE 142 Cb 0.52 -4.28 0.08 0.00 -0.94 0.00 0.00 39.48 34.86 3dxy n PHE 142 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dxy s PRO 143 N -6.03 2.30 -0.37 -1.08 0.04 -1.26 -4.77 135.00 123.83 3dxy s PRO 143 Ca 0.02 1.84 -0.42 0.00 0.04 0.00 0.00 61.00 62.48 3dxy s PRO 143 Cb -0.01 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 3dxy s PRO 143 CO 0.82 -1.73 1.83 -0.25 0.04 0.00 0.00 177.00 177.71 3dxy n ASP 144 N -2.44 1.87 0.19 6.66 8.00 -1.26 -4.82 116.55 124.76 3dxy n ASP 144 Ca 0.14 0.96 0.13 0.00 0.71 0.00 0.00 54.79 56.73 3dxy n ASP 144 Cb 0.50 -1.07 0.32 0.00 -0.02 0.00 0.00 41.12 40.85 3dxy n ASP 144 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3dxy h PRO 145 N 7.67 0.00 -6.48 -0.24 0.13 -1.99 -3.43 132.00 127.67 3dxy h PRO 145 Ca -0.38 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.35 3dxy h PRO 145 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3dxy h PRO 145 CO 0.99 0.00 -0.88 0.91 -0.23 0.00 0.00 178.00 178.80 3dxy n TRP 146 N -2.81 -2.19 -0.33 1.56 7.02 -1.26 -4.83 117.44 114.59 3dxy n TRP 146 Ca 0.04 0.85 0.08 0.00 -1.02 0.00 0.00 57.50 57.45 3dxy n TRP 146 Cb 0.46 -3.05 0.28 0.00 -2.42 0.00 0.00 31.31 26.57 3dxy n TRP 146 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3dxy h HIS 147 N -0.31 1.05 -3.58 -5.99 3.86 -1.93 -3.42 115.15 104.83 3dxy h HIS 147 Ca -0.52 0.03 -0.52 0.00 -1.16 0.00 0.00 60.37 58.20 3dxy h HIS 147 Cb 1.32 -0.33 0.03 0.00 1.06 0.00 0.00 27.41 29.49 3dxy h HIS 147 CO 0.23 0.41 0.57 0.15 0.86 0.00 0.00 177.93 180.16 3dxy s LYS 148 N -5.87 4.48 0.36 2.45 1.02 -1.26 -4.92 119.74 116.00 3dxy s LYS 148 Ca -0.11 1.94 0.08 0.00 0.02 0.00 0.00 55.97 57.90 3dxy s LYS 148 Cb 0.22 -3.20 0.80 0.00 -0.52 0.00 0.00 37.83 35.13 3dxy s LYS 148 CO 0.80 -0.07 1.92 0.00 -0.92 0.00 0.00 175.35 177.08 3dxy h ALA 149 N 4.73 1.79 0.00 5.17 0.00 -2.00 -0.16 119.26 128.79 3dxy h ALA 149 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dxy h ALA 149 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dxy h ALA 149 CO 0.72 0.03 0.00 0.07 0.00 0.00 0.00 179.25 180.07 3dxy h ARG 150 N 0.70 0.00 -0.48 0.00 0.11 -1.94 -2.07 114.38 110.71 3dxy h ARG 150 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 3dxy h ARG 150 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3dxy h ARG 150 CO -0.15 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.64 3dxy n HIS 151 N -2.32 0.64 -0.07 4.08 8.25 -0.08 -4.71 115.22 121.00 3dxy n HIS 151 Ca -0.00 -0.43 0.07 0.00 -0.26 0.00 0.00 57.72 57.10 3dxy n HIS 151 Cb 0.11 -0.01 0.43 0.00 1.12 0.00 0.00 29.99 31.64 3dxy n HIS 151 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 3dxy h ASN 152 N 3.29 0.49 0.85 0.41 7.08 -1.35 -0.27 115.58 126.08 3dxy h ASN 152 Ca 0.00 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3dxy h ASN 152 Cb 0.85 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.98 3dxy h ASN 152 CO 0.00 0.33 0.00 0.29 -2.08 0.00 0.00 177.43 175.97 3dxy n LYS 153 N -4.47 0.19 0.19 4.14 4.76 -1.26 -2.31 118.16 119.40 3dxy n LYS 153 Ca 0.07 0.37 0.14 0.00 -2.87 0.00 0.00 58.31 56.01 3dxy n LYS 153 Cb 0.20 -1.83 0.40 0.00 -1.84 0.00 0.00 35.03 31.96 3dxy n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxy h ARG 154 N 0.00 0.00 -6.62 1.97 3.08 -1.40 -3.45 114.38 107.97 3dxy h ARG 154 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3dxy h ARG 154 Cb 0.43 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.52 3dxy h ARG 154 CO 0.00 0.00 0.94 1.03 -1.07 0.00 0.00 179.97 180.87 3dxy s ARG 155 N -3.31 4.18 0.31 0.04 0.52 -0.98 -4.89 118.95 114.81 3dxy s ARG 155 Ca 0.06 2.46 0.10 0.00 -0.52 0.00 0.00 55.73 57.84 3dxy s ARG 155 Cb 0.08 -3.16 0.50 0.00 0.52 0.00 0.00 34.95 32.89 3dxy s ARG 155 CO 0.58 -0.67 1.70 0.97 0.02 0.00 0.00 175.30 177.89 3dxy h ILE 156 N 3.99 1.36 -2.64 1.52 2.10 -1.86 -3.39 117.51 118.59 3dxy h ILE 156 Ca -0.43 -1.73 -0.54 0.00 1.08 0.00 0.00 64.86 63.24 3dxy h ILE 156 Cb 1.20 1.91 -0.07 0.00 -1.09 0.00 0.00 36.82 38.78 3dxy h ILE 156 CO 0.93 0.50 1.07 -0.69 -1.08 0.00 0.00 178.15 178.88 3dxy s VAL 157 N -3.89 3.78 0.13 2.19 1.01 -1.26 -4.70 120.40 117.66 3dxy s VAL 157 Ca -0.02 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 3dxy s VAL 157 Cb 0.13 -4.69 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3dxy s VAL 157 CO 0.75 -1.51 0.09 -1.10 0.00 0.00 0.00 175.10 173.33 3dxy s GLN 158 N 5.60 0.94 0.14 2.72 -1.52 -1.26 -4.85 119.66 121.43 3dxy s GLN 158 Ca 0.43 -1.38 -0.23 0.00 -1.95 0.00 0.00 55.36 52.23 3dxy s GLN 158 Cb -0.09 0.26 -0.00 0.00 -0.22 0.00 0.00 33.01 32.96 3dxy s GLN 158 CO 0.20 -0.28 1.64 0.28 -0.25 0.00 0.00 175.29 176.89 3dxy h VAL 159 N 2.83 0.45 -0.83 1.09 2.07 -1.91 -0.17 116.25 119.78 3dxy h VAL 159 Ca -0.34 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3dxy h VAL 159 Cb 1.20 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3dxy h VAL 159 CO 0.58 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 178.05 3dxy h PRO 160 N -0.27 1.03 -0.45 1.57 0.11 -1.98 0.11 132.00 132.12 3dxy h PRO 160 Ca 0.11 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3dxy h PRO 160 Cb 0.43 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3dxy h PRO 160 CO -0.31 0.68 0.21 0.35 -0.21 0.00 0.00 178.00 178.71 3dxy h PHE 161 N 1.06 0.65 -0.43 0.65 3.57 -1.74 -0.28 116.94 120.41 3dxy h PHE 161 Ca 0.33 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 3dxy h PHE 161 Cb -0.02 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3dxy h PHE 161 CO -0.02 0.54 0.03 0.00 -2.23 0.00 0.00 178.31 176.62 3dxy h ALA 162 N 1.05 1.24 -0.50 2.41 0.00 -0.36 0.19 119.26 123.29 3dxy h ALA 162 Ca 0.15 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3dxy h ALA 162 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dxy h ALA 162 CO -0.02 0.51 -0.16 1.49 0.00 0.00 0.00 179.25 181.07 3dxy h GLU 163 N 0.65 0.99 -0.31 0.00 4.57 -0.57 -0.75 114.58 119.16 3dxy h GLU 163 Ca 0.14 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3dxy h GLU 163 Cb 0.37 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3dxy h GLU 163 CO 0.01 1.08 0.15 1.25 -1.18 0.00 0.00 179.01 180.32 3dxy h LEU 164 N 0.85 0.41 -0.63 1.64 5.85 -0.50 -1.18 115.31 121.75 3dxy h LEU 164 Ca 0.12 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3dxy h LEU 164 Cb 0.74 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3dxy h LEU 164 CO 0.06 0.42 0.38 0.58 -0.34 0.00 0.00 178.44 179.53 3dxy h VAL 165 N 0.37 1.05 -0.99 1.05 2.07 -0.88 -2.38 116.25 116.53 3dxy h VAL 165 Ca 0.11 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3dxy h VAL 165 Cb 0.12 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 3dxy h VAL 165 CO -0.01 0.13 0.64 0.50 0.02 0.00 0.00 177.57 178.85 3dxy h LYS 166 N 0.73 1.16 0.00 1.57 3.64 -0.52 -1.29 116.57 121.87 3dxy h LYS 166 Ca 0.26 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3dxy h LYS 166 Cb 0.06 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3dxy h LYS 166 CO -0.12 0.77 -0.03 0.66 -2.27 0.00 0.00 179.45 178.46 3dxy h SER 167 N 1.20 0.00 0.60 4.20 4.64 -0.70 -1.63 113.55 121.86 3dxy h SER 167 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3dxy h SER 167 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3dxy h SER 167 CO -0.15 0.03 -0.85 0.29 -0.87 0.00 0.00 176.83 175.28 3dxy n LYS 168 N -3.28 0.28 -2.70 4.77 4.76 -0.51 -0.92 118.16 120.55 3dxy n LYS 168 Ca -0.02 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.06 3dxy n LYS 168 Cb 0.18 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 3dxy n LYS 168 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dxy s LEU 169 N -4.00 4.58 0.71 -0.35 1.43 -0.62 -0.60 118.68 119.83 3dxy s LEU 169 Ca 0.05 1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 55.00 3dxy s LEU 169 Cb 0.14 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3dxy s LEU 169 CO 0.77 0.06 1.13 0.00 0.23 0.00 0.00 176.35 178.54 3dxy s GLN 170 N -1.39 2.42 0.23 1.70 -2.07 0.05 -4.03 119.66 116.57 3dxy s GLN 170 Ca 0.43 1.47 -0.32 0.00 -1.82 0.00 0.00 55.36 55.12 3dxy s GLN 170 Cb -0.26 -1.90 -0.13 0.00 -1.09 0.00 0.00 33.01 29.63 3dxy s GLN 170 CO 0.32 -1.56 1.50 1.28 -1.32 0.00 0.00 175.29 175.51 3dxy n LEU 171 N -2.78 3.37 0.00 2.60 4.77 -1.26 -0.33 117.00 123.37 3dxy n LEU 171 Ca 0.11 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 3dxy n LEU 171 Cb 0.52 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3dxy n LEU 171 CO 0.49 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3dxy n GLY 172 N 2.55 1.92 3.73 -0.72 0.00 0.20 -5.00 105.19 107.87 3dxy n GLY 172 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3dxy n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxy s GLY 173 N -2.00 1.65 -0.01 -0.02 0.00 0.56 -4.68 107.32 102.82 3dxy s GLY 173 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.95 3dxy s GLY 173 CO 0.00 0.60 -0.16 0.14 0.00 0.00 0.00 173.10 173.69 3dxy s VAL 174 N -2.86 1.26 -0.32 1.40 1.01 -0.88 -0.41 120.40 119.59 3dxy s VAL 174 Ca 0.63 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 3dxy s VAL 174 Cb -0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3dxy s VAL 174 CO 0.57 0.36 0.18 0.12 0.00 0.00 0.00 175.10 176.32 3dxy s PHE 175 N -0.37 3.20 -0.21 5.22 5.36 -0.02 -1.10 117.98 130.05 3dxy s PHE 175 Ca 0.06 -0.51 -0.02 0.00 -0.96 0.00 0.00 56.93 55.49 3dxy s PHE 175 Cb -0.06 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 3dxy s PHE 175 CO -0.01 -0.45 -0.09 -1.58 -1.46 0.00 0.00 175.22 171.64 3dxy s HIS 176 N 1.63 2.93 0.21 10.12 5.65 0.08 -1.46 115.29 134.45 3dxy s HIS 176 Ca 0.05 -1.21 0.10 0.00 0.25 0.00 0.00 55.06 54.25 3dxy s HIS 176 Cb -0.17 -2.05 -0.04 0.00 -1.18 0.00 0.00 32.58 29.13 3dxy s HIS 176 CO 0.07 -0.64 -0.20 0.00 -0.65 0.00 0.00 174.74 173.32 3dxy s MET 177 N 1.41 1.45 -0.01 2.88 0.23 -0.13 -0.90 119.30 124.22 3dxy s MET 177 Ca 0.05 -1.55 -0.06 0.00 -1.03 0.00 0.00 55.69 53.10 3dxy s MET 177 Cb -0.14 -1.57 0.00 0.00 -1.53 0.00 0.00 34.83 31.60 3dxy s MET 177 CO -0.06 0.31 0.13 0.00 -2.03 0.00 0.00 175.02 173.37 3dxy s ALA 178 N -2.15 -0.30 0.02 3.16 0.00 -0.49 -0.73 121.76 121.26 3dxy s ALA 178 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 3dxy s ALA 178 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3dxy s ALA 178 CO 0.10 -0.16 0.27 -0.08 0.00 0.00 0.00 175.76 175.89 3dxy s THR 179 N -0.92 0.08 -1.35 0.00 -1.32 -0.26 -0.11 115.64 111.75 3dxy s THR 179 Ca -0.10 -0.64 0.19 0.00 -1.21 0.00 0.00 61.69 59.93 3dxy s THR 179 Cb -0.06 -0.77 0.68 0.00 -1.51 0.00 0.00 72.50 70.84 3dxy s THR 179 CO 0.01 -0.35 1.58 -0.90 -2.21 0.00 0.00 174.62 172.75 3dxy n ASP 180 N 0.93 4.42 -4.04 8.08 5.75 -1.26 -0.22 116.55 130.21 3dxy n ASP 180 Ca -0.20 -2.30 -0.32 0.00 -0.01 0.00 0.00 54.79 51.96 3dxy n ASP 180 Cb 0.58 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.98 3dxy n ASP 180 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3dxy s TRP 181 N -1.57 3.34 0.24 2.11 -0.11 -1.26 -4.85 118.94 116.83 3dxy s TRP 181 Ca 0.49 -2.49 -0.05 0.00 1.22 0.00 0.00 56.10 55.27 3dxy s TRP 181 Cb 0.30 -2.20 0.38 0.00 -1.50 0.00 0.00 33.47 30.44 3dxy s TRP 181 CO 0.27 -0.89 1.79 1.49 -4.62 0.00 0.00 176.95 174.98 3dxy h GLU 182 N 7.74 0.65 -0.77 5.86 4.81 -1.94 0.04 114.58 130.97 3dxy h GLU 182 Ca -0.14 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3dxy h GLU 182 Cb 1.04 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 3dxy h GLU 182 CO 0.48 0.43 0.51 -1.35 -0.73 0.00 0.00 179.01 178.34 3dxy h PRO 183 N 0.67 0.73 -0.30 0.92 0.11 -1.99 0.42 132.00 132.56 3dxy h PRO 183 Ca 0.38 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.33 3dxy h PRO 183 Cb 0.40 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3dxy h PRO 183 CO -0.27 0.49 -0.28 -0.92 -0.21 0.00 0.00 178.00 176.80 3dxy h TYR 184 N 0.76 0.85 -0.60 0.65 3.20 -1.39 -1.88 116.97 118.57 3dxy h TYR 184 Ca 0.35 -0.25 0.09 0.00 3.14 0.00 0.00 58.73 62.05 3dxy h TYR 184 Cb 0.36 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 3dxy h TYR 184 CO -0.00 1.00 0.22 0.00 -1.64 0.00 0.00 178.16 177.74 3dxy h ALA 185 N 0.71 0.76 -0.67 1.82 0.00 -0.18 0.26 119.26 121.97 3dxy h ALA 185 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3dxy h ALA 185 Cb 0.85 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3dxy h ALA 185 CO 0.07 -0.19 0.13 0.93 0.00 0.00 0.00 179.25 180.19 3dxy h GLU 186 N 0.41 1.10 -0.23 0.00 5.08 -0.88 -0.58 114.58 119.47 3dxy h GLU 186 Ca 0.30 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3dxy h GLU 186 Cb 0.36 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3dxy h GLU 186 CO -0.29 0.99 0.07 1.25 -1.00 0.00 0.00 179.01 180.03 3dxy h HIS 187 N 1.03 0.37 -0.71 4.33 2.76 -0.55 -0.91 115.15 121.47 3dxy h HIS 187 Ca 0.21 -0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 3dxy h HIS 187 Cb 0.41 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 3dxy h HIS 187 CO 0.03 0.43 0.35 0.52 -1.30 0.00 0.00 177.93 177.96 3dxy h MET 188 N 0.20 0.58 -0.69 5.26 2.86 -0.24 0.21 114.93 123.11 3dxy h MET 188 Ca 0.07 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3dxy h MET 188 Cb 0.23 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3dxy h MET 188 CO -0.00 0.39 0.23 1.25 1.06 0.00 0.00 176.91 179.83 3dxy h LEU 189 N 0.60 0.99 -0.25 1.22 5.85 -0.83 -0.27 115.31 122.62 3dxy h LEU 189 Ca 0.35 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3dxy h LEU 189 Cb 0.38 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3dxy h LEU 189 CO -0.27 0.93 0.04 -0.08 -0.34 0.00 0.00 178.44 178.72 3dxy h GLU 190 N 1.00 0.41 0.33 1.25 4.81 -0.46 -0.04 114.58 121.88 3dxy h GLU 190 Ca 0.22 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3dxy h GLU 190 Cb 0.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3dxy h GLU 190 CO -0.01 0.53 -0.25 0.28 -0.73 0.00 0.00 179.01 178.83 3dxy h VAL 191 N 0.22 0.47 -0.42 0.32 2.07 -0.79 -2.81 116.25 115.31 3dxy h VAL 191 Ca 0.08 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3dxy h VAL 191 Cb 0.32 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3dxy h VAL 191 CO 0.00 0.00 -0.11 0.24 0.02 0.00 0.00 177.57 177.72 3dxy h MET 192 N -0.58 0.75 0.00 1.57 2.86 -0.97 -2.15 114.93 116.41 3dxy h MET 192 Ca -0.03 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3dxy h MET 192 Cb 0.51 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3dxy h MET 192 CO -0.00 0.84 0.00 0.66 1.06 0.00 0.00 176.91 179.46 3dxy h SER 193 N 0.68 0.00 0.35 1.22 4.64 -0.95 -2.81 113.55 116.68 3dxy h SER 193 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3dxy h SER 193 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3dxy h SER 193 CO 0.04 0.00 -0.28 -1.54 -0.87 0.00 0.00 176.83 174.18 3dxy n SER 194 N -2.51 0.77 -4.45 4.97 3.41 -0.81 -4.84 113.62 110.15 3dxy n SER 194 Ca 0.01 -0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 57.60 3dxy n SER 194 Cb 0.24 0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 3dxy n SER 194 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dxy s ILE 195 N -2.63 4.73 0.25 -1.33 1.01 -1.06 -5.06 121.20 117.11 3dxy s ILE 195 Ca 0.22 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 3dxy s ILE 195 Cb 0.19 -3.43 -0.11 0.00 0.01 0.00 0.00 42.46 39.12 3dxy s ILE 195 CO 0.55 0.03 1.57 -0.62 0.00 0.00 0.00 174.94 176.48 3dxy s ASP 196 N 1.63 6.47 0.00 3.58 2.15 -1.26 -2.42 116.67 126.82 3dxy s ASP 196 Ca 0.05 2.83 0.00 0.00 0.43 0.00 0.00 52.55 55.86 3dxy s ASP 196 Cb -0.17 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 3dxy s ASP 196 CO 0.07 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 3dxy n GLY 197 N 2.63 0.20 3.53 2.66 0.00 -1.26 -4.88 105.19 108.07 3dxy n GLY 197 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3dxy n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxy s TYR 198 N -2.00 3.12 -0.21 1.61 2.02 -1.02 -0.48 117.35 120.40 3dxy s TYR 198 Ca 0.00 -0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3dxy s TYR 198 Cb 0.00 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 3dxy s TYR 198 CO 0.00 -0.08 0.01 0.21 -1.57 0.00 0.00 175.55 174.12 3dxy s LYS 199 N 0.77 3.61 0.03 -0.62 2.20 0.37 -4.92 119.74 121.17 3dxy s LYS 199 Ca 0.02 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 3dxy s LYS 199 Cb -0.14 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 3dxy s LYS 199 CO 0.02 -0.04 1.47 1.21 -0.36 0.00 0.00 175.35 177.65 3dxy s ASN 200 N 1.14 6.78 0.00 1.43 3.84 -1.26 -0.63 114.94 126.24 3dxy s ASN 200 Ca 0.03 2.22 0.28 0.00 0.21 0.00 0.00 52.86 55.60 3dxy s ASN 200 Cb -0.14 -2.56 1.04 0.00 -0.55 0.00 0.00 41.25 39.04 3dxy s ASN 200 CO 0.02 -0.76 1.76 0.18 -2.79 0.00 0.00 177.10 175.50 3dxy n LEU 201 N 5.35 0.43 -4.72 3.21 4.77 -0.39 -4.83 117.00 120.81 3dxy n LEU 201 Ca 0.14 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 3dxy n LEU 201 Cb 0.43 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3dxy n LEU 201 CO 0.60 0.09 1.16 -0.55 -1.33 0.00 0.00 177.39 177.35 3dxy s SER 202 N -2.69 6.68 0.23 -1.43 0.15 -1.26 -4.90 113.70 110.48 3dxy s SER 202 Ca 0.22 2.53 0.25 0.00 0.70 0.00 0.00 55.95 59.65 3dxy s SER 202 Cb 0.19 -2.60 0.88 0.00 -1.71 0.00 0.00 66.02 62.79 3dxy s SER 202 CO 0.53 -0.75 1.75 -0.62 1.20 0.00 0.00 173.24 175.36 3dxy n GLU 203 N 3.74 0.23 -0.51 5.44 1.02 -1.26 -2.26 120.64 127.03 3dxy n GLU 203 Ca 0.12 0.29 0.08 0.00 -0.02 0.00 0.00 57.16 57.63 3dxy n GLU 203 Cb 0.40 -1.83 0.29 0.00 -0.02 0.00 0.00 31.44 30.28 3dxy n GLU 203 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3dxy n SER 204 N -2.25 4.22 -2.15 1.62 3.41 -1.26 -4.96 113.62 112.24 3dxy n SER 204 Ca 0.04 -2.73 -0.19 0.00 -0.26 0.00 0.00 58.87 55.73 3dxy n SER 204 Cb 0.35 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 3dxy n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dxy n ASN 205 N 0.15 -5.35 0.00 4.04 5.15 -0.96 -4.79 115.26 113.50 3dxy n ASN 205 Ca 0.22 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 3dxy n ASN 205 Cb 0.87 -4.55 0.00 0.00 -0.53 0.00 0.00 39.78 35.57 3dxy n ASN 205 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3dxy n ASP 206 N -1.73 0.00 -4.37 1.20 5.68 -1.26 -5.02 116.55 111.05 3dxy n ASP 206 Ca -0.22 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 53.83 3dxy n ASP 206 Cb 0.66 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.52 3dxy n ASP 206 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3dxy s TYR 207 N -0.02 2.04 0.22 2.11 2.02 -1.26 -4.76 117.35 117.70 3dxy s TYR 207 Ca 0.00 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 3dxy s TYR 207 Cb 0.00 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 3dxy s TYR 207 CO 0.00 0.40 0.06 0.14 -1.57 0.00 0.00 175.55 174.58 3dxy s VAL 208 N -1.79 3.90 0.47 0.71 -7.23 -0.09 -4.58 120.40 111.78 3dxy s VAL 208 Ca 0.17 -1.54 -0.24 0.00 -1.81 0.00 0.00 61.98 58.56 3dxy s VAL 208 Cb -0.07 -3.04 -0.07 0.00 0.56 0.00 0.00 36.38 33.76 3dxy s VAL 208 CO 0.08 -0.25 1.33 -2.16 -0.31 0.00 0.00 175.10 173.78 3dxy s PRO 209 N -3.41 3.63 0.04 4.82 0.04 -1.26 -4.33 135.00 134.53 3dxy s PRO 209 Ca 0.30 2.18 -0.33 0.00 0.04 0.00 0.00 61.00 63.20 3dxy s PRO 209 Cb -0.08 -2.54 -0.12 0.00 0.04 0.00 0.00 34.50 31.81 3dxy s PRO 209 CO 0.21 -0.78 1.80 -2.13 0.04 0.00 0.00 177.00 176.14 3dxy n ARG 210 N -0.38 2.39 -2.12 4.56 0.63 -1.26 -4.97 116.66 115.51 3dxy n ARG 210 Ca 0.06 0.87 -0.28 0.00 -0.92 0.00 0.00 57.85 57.58 3dxy n ARG 210 Cb 0.44 -2.72 0.04 0.00 0.45 0.00 0.00 32.46 30.67 3dxy n ARG 210 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3dxy s PRO 211 N 2.98 2.84 0.57 -0.14 0.04 -1.26 -4.95 135.00 135.08 3dxy s PRO 211 Ca 0.86 0.23 0.26 0.00 0.04 0.00 0.00 61.00 62.39 3dxy s PRO 211 Cb -0.61 -2.13 1.65 0.00 0.04 0.00 0.00 34.50 33.44 3dxy s PRO 211 CO 0.44 -0.91 2.19 0.00 0.04 0.00 0.00 177.00 178.76 3dxy h ALA 212 N -0.46 1.73 0.00 8.56 0.00 -2.03 -2.24 119.26 124.82 3dxy h ALA 212 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dxy h ALA 212 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dxy h ALA 212 CO 0.62 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 3dxy n SER 213 N -4.03 0.00 -4.06 0.00 3.41 -1.26 -4.31 113.62 103.37 3dxy n SER 213 Ca -0.02 0.04 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 3dxy n SER 213 Cb 0.15 -0.29 -0.16 0.00 -0.26 0.00 0.00 64.21 63.65 3dxy n SER 213 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3dxy s ARG 214 N -2.59 2.36 0.64 4.33 3.52 -0.84 -4.92 118.95 121.44 3dxy s ARG 214 Ca 0.18 -1.08 -0.18 0.00 -0.13 0.00 0.00 55.73 54.52 3dxy s ARG 214 Cb 0.13 -2.68 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 3dxy s ARG 214 CO 0.29 -0.44 1.22 -2.14 -0.81 0.00 0.00 175.30 173.42 3dxy s PRO 215 N 1.23 2.70 0.36 5.12 0.02 -1.26 -4.75 135.00 138.42 3dxy s PRO 215 Ca -0.03 1.83 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 3dxy s PRO 215 Cb -0.17 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 3dxy s PRO 215 CO -0.08 -1.42 1.37 0.08 -0.33 0.00 0.00 177.00 176.63 3dxy s VAL 216 N -1.68 2.46 0.46 3.83 1.01 -1.26 -5.03 120.40 120.19 3dxy s VAL 216 Ca 0.77 0.46 0.06 0.00 0.00 0.00 0.00 61.98 63.27 3dxy s VAL 216 Cb -0.31 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3dxy s VAL 216 CO 0.37 0.11 0.24 0.42 0.00 0.00 0.00 175.10 176.24 3dxy s THR 217 N -1.14 2.04 -0.74 3.92 -4.23 -1.26 -5.03 115.64 109.19 3dxy s THR 217 Ca 0.51 -1.64 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 3dxy s THR 217 Cb -0.42 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 70.95 3dxy s THR 217 CO 0.56 0.00 1.67 2.29 -0.54 0.00 0.00 174.62 178.60 3dxy n LYS 218 N -1.41 0.12 0.00 3.99 -0.00 -1.26 -2.35 118.16 117.25 3dxy n LYS 218 Ca -0.03 0.29 0.15 0.00 -0.00 0.00 0.00 58.31 58.72 3dxy n LYS 218 Cb 0.64 -1.70 0.79 0.00 -0.00 0.00 0.00 35.03 34.76 3dxy n LYS 218 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3dxy n PHE 219 N -1.92 0.00 -4.66 5.58 3.01 -1.26 -4.84 117.46 113.37 3dxy n PHE 219 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.16 3dxy n PHE 219 Cb 0.25 -0.10 -0.13 0.00 -0.01 0.00 0.00 39.48 39.49 3dxy n PHE 219 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3dxy s GLU 220 N -2.22 3.40 -0.67 -1.08 2.02 -0.99 -4.56 118.70 114.60 3dxy s GLU 220 Ca 0.39 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 3dxy s GLU 220 Cb 0.21 -2.70 0.17 0.00 0.10 0.00 0.00 34.13 31.91 3dxy s GLU 220 CO 0.41 0.27 0.48 -0.65 0.02 0.00 0.00 175.26 175.79 3dxy s GLN 221 N 0.24 2.61 0.11 1.61 -1.52 0.04 -4.89 119.66 117.85 3dxy s GLN 221 Ca -0.07 -2.74 -0.31 0.00 -1.95 0.00 0.00 55.36 50.29 3dxy s GLN 221 Cb -0.15 -3.70 -0.10 0.00 -0.22 0.00 0.00 33.01 28.84 3dxy s GLN 221 CO 0.04 -1.19 1.81 1.03 -0.25 0.00 0.00 175.29 176.73 3dxy s ARG 222 N -0.43 4.15 0.00 2.91 1.81 -1.26 -1.28 118.95 124.84 3dxy s ARG 222 Ca 0.19 2.55 0.00 0.00 -1.72 0.00 0.00 55.73 56.75 3dxy s ARG 222 Cb -0.18 -3.64 0.00 0.00 -0.45 0.00 0.00 34.95 30.68 3dxy s ARG 222 CO -0.05 -0.83 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 3dxy n GLY 223 N 4.22 0.85 3.63 -3.53 0.00 -1.26 -5.02 105.19 104.09 3dxy n GLY 223 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3dxy n GLY 223 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dxy n HIS 224 N -2.07 1.60 0.11 1.61 -0.00 -0.41 -4.86 115.22 111.20 3dxy n HIS 224 Ca 0.00 0.62 0.16 0.00 -0.00 0.00 0.00 57.72 58.49 3dxy n HIS 224 Cb 0.00 -2.30 0.68 0.00 -0.00 0.00 0.00 29.99 28.37 3dxy n HIS 224 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3dxy h ARG 225 N 2.07 0.00 -0.25 1.57 2.43 -1.95 -0.68 114.38 117.57 3dxy h ARG 225 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3dxy h ARG 225 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3dxy h ARG 225 CO 0.60 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 180.34 3dxy n LEU 226 N -4.40 2.45 0.00 3.80 4.77 -1.26 -5.03 117.00 117.33 3dxy n LEU 226 Ca 0.05 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3dxy n LEU 226 Cb 0.40 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3dxy n LEU 226 CO 0.35 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3dxy n GLY 227 N 1.29 3.00 0.24 -0.72 0.00 -0.26 -4.84 105.19 103.90 3dxy n GLY 227 Ca 0.17 -1.95 0.09 0.00 0.00 0.00 0.00 46.02 44.34 3dxy n GLY 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dxy h HIS 228 N 0.00 0.00 0.00 1.61 3.86 -1.77 -3.39 115.15 115.47 3dxy h HIS 228 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dxy h HIS 228 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3dxy h HIS 228 CO 0.00 0.16 0.00 0.41 0.86 0.00 0.00 177.93 179.36 3dxy n GLY 229 N -0.79 0.68 3.02 2.45 0.00 -1.26 -0.78 105.19 108.50 3dxy n GLY 229 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3dxy n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxy s VAL 230 N -2.38 0.86 -0.21 1.61 1.01 -1.26 -4.38 120.40 115.66 3dxy s VAL 230 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3dxy s VAL 230 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3dxy s VAL 230 CO 0.00 0.26 0.03 0.26 0.00 0.00 0.00 175.10 175.65 3dxy s TRP 231 N 0.11 3.10 -0.13 5.22 0.51 0.69 -4.96 118.94 123.47 3dxy s TRP 231 Ca -0.02 -0.30 -0.04 0.00 -2.12 0.00 0.00 56.10 53.62 3dxy s TRP 231 Cb -0.08 -2.11 -0.03 0.00 -0.81 0.00 0.00 33.47 30.43 3dxy s TRP 231 CO 0.00 -0.16 0.01 -0.51 -0.51 0.00 0.00 176.95 175.79 3dxy s ASP 232 N 0.97 5.26 -0.06 2.95 1.11 -1.26 -1.10 116.67 124.54 3dxy s ASP 232 Ca 0.03 0.07 0.04 0.00 0.18 0.00 0.00 52.55 52.87 3dxy s ASP 232 Cb -0.14 -1.69 -0.00 0.00 1.07 0.00 0.00 42.92 42.16 3dxy s ASP 232 CO 0.02 0.28 -0.19 -0.76 1.18 0.00 0.00 175.17 175.70 3dxy s LEU 233 N -0.28 1.93 -0.05 1.23 1.02 0.09 -0.91 118.68 121.71 3dxy s LEU 233 Ca 0.06 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.81 3dxy s LEU 233 Cb -0.12 -1.08 0.02 0.00 0.02 0.00 0.00 46.19 45.03 3dxy s LEU 233 CO 0.02 0.16 -0.03 -0.32 0.02 0.00 0.00 176.35 176.20 3dxy s MET 234 N 0.12 0.73 -0.04 1.70 1.75 -1.26 -0.95 119.30 121.33 3dxy s MET 234 Ca -0.07 -0.02 0.04 0.00 -1.25 0.00 0.00 55.69 54.39 3dxy s MET 234 Cb -0.13 -0.88 -0.00 0.00 2.84 0.00 0.00 34.83 36.66 3dxy s MET 234 CO 0.03 -0.17 -0.17 -0.06 -0.65 0.00 0.00 175.02 174.01 3dxy s PHE 235 N 1.33 1.69 0.02 4.11 0.08 -0.54 -1.27 117.98 123.40 3dxy s PHE 235 Ca -0.05 -0.50 -0.14 0.00 0.12 0.00 0.00 56.93 56.37 3dxy s PHE 235 Cb -0.13 -1.15 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 3dxy s PHE 235 CO -0.02 -0.17 0.41 -2.00 -0.10 0.00 0.00 175.22 173.33 3dxy s GLU 236 N 0.08 3.89 -0.13 0.44 2.12 0.20 -0.84 118.70 124.45 3dxy s GLU 236 Ca -0.05 0.37 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 3dxy s GLU 236 Cb -0.12 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 3dxy s GLU 236 CO 0.02 0.67 1.22 0.50 -0.54 0.00 0.00 175.26 177.13 3dxy s ARG 237 N -1.24 4.28 0.30 4.30 3.52 0.45 -0.48 118.95 130.08 3dxy s ARG 237 Ca 0.26 1.63 0.07 0.00 -0.13 0.00 0.00 55.73 57.55 3dxy s ARG 237 Cb -0.16 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.49 3dxy s ARG 237 CO 0.14 -0.60 -0.04 0.14 -0.81 0.00 0.00 175.30 174.13 3dxy s VAL 238 N 2.98 1.68 0.48 7.11 -7.23 0.37 -0.63 120.40 125.17 3dxy s VAL 238 Ca 0.54 -2.11 -0.24 0.00 -1.81 0.00 0.00 61.98 58.37 3dxy s VAL 238 Cb -0.22 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.09 3dxy s VAL 238 CO 0.17 -0.22 1.30 -0.54 -0.31 0.00 0.00 175.10 175.50 3dxy s LYS 239 N -3.73 3.57 0.30 4.82 1.02 -1.26 -4.45 119.74 120.00 3dxy s LYS 239 Ca 0.31 2.12 -0.29 0.00 0.02 0.00 0.00 55.97 58.14 3dxy s LYS 239 Cb 0.05 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.76 3dxy s LYS 239 CO 0.13 -0.81 1.17 1.28 -0.92 0.00 0.00 175.35 176.20 3dxy n LEU 240 N -0.50 2.63 0.05 3.17 4.77 -1.26 -4.56 117.00 121.30 3dxy n LEU 240 Ca 0.07 1.19 0.04 0.00 -0.03 0.00 0.00 56.01 57.27 3dxy n LEU 240 Cb 0.45 -1.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.09 3dxy n LEU 240 CO 0.53 -0.93 -0.26 -0.62 -1.33 0.00 0.00 177.39 174.78 3dxy n GLU 241 N 0.83 0.62 0.00 3.23 1.02 -1.26 -4.98 120.64 120.10 3dxy n GLU 241 Ca 0.08 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3dxy n GLU 241 Cb 0.33 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3dxy n GLU 241 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03