#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxz h ALA 37 N 0.00 1.01 0.42 -1.41 0.00 -1.99 -1.30 119.26 116.00 3dxz h ALA 37 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3dxz h ALA 37 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dxz h ALA 37 CO 0.00 0.17 -0.20 -0.07 0.00 0.00 0.00 179.25 179.14 3dxz h LEU 38 N 0.83 -0.48 -1.06 0.00 3.38 -1.93 0.58 115.31 116.63 3dxz h LEU 38 Ca 0.33 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3dxz h LEU 38 Cb 0.15 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3dxz h LEU 38 CO -0.17 -0.26 0.63 -0.33 0.09 0.00 0.00 178.44 178.40 3dxz h GLU 39 N -0.67 1.17 0.03 1.13 5.08 -1.97 -0.49 114.58 118.85 3dxz h GLU 39 Ca -0.06 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.02 3dxz h GLU 39 Cb 0.49 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.50 3dxz h GLU 39 CO 0.10 0.77 -0.83 -0.91 -1.00 0.00 0.00 179.01 177.14 3dxz h ASN 40 N 1.21 0.68 0.00 1.42 2.35 -1.16 -3.41 115.58 116.66 3dxz h ASN 40 Ca 0.39 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3dxz h ASN 40 Cb 0.02 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3dxz h ASN 40 CO -0.12 1.38 -0.96 -1.22 -1.65 0.00 0.00 177.43 174.86 3dxz n TYR 41 N -4.06 0.00 -0.27 1.19 4.01 0.19 -4.45 117.16 113.77 3dxz n TYR 41 Ca -0.11 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.63 3dxz n TYR 41 Cb 0.78 -0.11 0.14 0.00 -0.31 0.00 0.00 39.34 39.84 3dxz n TYR 41 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3dxz h TRP 42 N 0.00 0.80 -0.00 -0.72 2.91 -1.20 -0.83 115.95 116.92 3dxz h TRP 42 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3dxz h TRP 42 Cb 0.33 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3dxz h TRP 42 CO 0.00 0.36 0.00 -1.35 -1.03 0.00 0.00 178.44 176.42 3dxz h PRO 43 N 0.78 0.00 0.04 2.65 0.11 -1.78 0.78 132.00 134.59 3dxz h PRO 43 Ca 0.35 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.11 3dxz h PRO 43 Cb 0.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 3dxz h PRO 43 CO -0.21 0.00 -1.97 0.28 -0.21 0.00 0.00 178.00 175.89 3dxz n VAL 44 N -3.32 1.61 0.18 3.15 0.31 -0.59 -4.70 118.33 114.96 3dxz n VAL 44 Ca -0.03 -0.40 0.02 0.00 -0.01 0.00 0.00 64.34 63.92 3dxz n VAL 44 Cb 0.07 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 3dxz n VAL 44 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3dxz n MET 45 N -3.88 5.23 -2.37 5.55 2.81 -0.42 -5.03 117.12 119.01 3dxz n MET 45 Ca -0.39 -0.06 -0.33 0.00 -1.81 0.00 0.00 57.70 55.11 3dxz n MET 45 Cb 0.90 -0.71 -0.03 0.00 -0.71 0.00 0.00 33.22 32.67 3dxz n MET 45 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dxz s GLY 46 N -1.27 2.21 -0.09 3.03 0.00 0.26 -1.17 107.32 110.29 3dxz s GLY 46 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.10 3dxz s GLY 46 CO 0.15 0.65 -0.07 0.14 0.00 0.00 0.00 173.10 173.97 3dxz s VAL 47 N -2.39 0.88 0.45 1.40 1.01 -0.22 -4.84 120.40 116.69 3dxz s VAL 47 Ca 0.62 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 3dxz s VAL 47 Cb -0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 3dxz s VAL 47 CO 0.28 0.33 1.03 -1.61 0.00 0.00 0.00 175.10 175.13 3dxz s GLU 48 N 1.47 3.97 0.24 2.72 0.41 -1.26 -4.54 118.70 121.69 3dxz s GLU 48 Ca -0.01 1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 55.62 3dxz s GLU 48 Cb -0.13 -2.22 -0.09 0.00 -1.78 0.00 0.00 34.13 29.90 3dxz s GLU 48 CO -0.05 -0.29 1.23 0.12 -0.49 0.00 0.00 175.26 175.79 3dxz s PHE 49 N -1.93 3.34 0.28 1.61 5.36 -1.26 -5.04 117.98 120.34 3dxz s PHE 49 Ca 0.64 1.42 -0.08 0.00 -0.96 0.00 0.00 56.93 57.95 3dxz s PHE 49 Cb -0.17 -3.50 -0.00 0.00 -0.34 0.00 0.00 43.02 39.01 3dxz s PHE 49 CO 0.21 -1.40 0.45 -1.54 -1.46 0.00 0.00 175.22 171.48 3dxz s SER 50 N -0.13 0.27 -0.24 6.13 1.04 -1.26 -5.03 113.70 114.49 3dxz s SER 50 Ca 0.52 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.84 3dxz s SER 50 Cb -0.35 0.60 0.58 0.00 0.10 0.00 0.00 66.02 66.94 3dxz s SER 50 CO 0.41 -1.18 1.53 -0.62 0.98 0.00 0.00 173.24 174.36 3dxz n GLU 51 N -0.43 3.21 -4.44 4.02 1.02 -1.26 -4.63 120.64 118.13 3dxz n GLU 51 Ca -0.01 -2.32 -0.34 0.00 -0.02 0.00 0.00 57.16 54.47 3dxz n GLU 51 Cb 0.62 -2.01 -0.11 0.00 -0.02 0.00 0.00 31.44 29.93 3dxz n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dxz s ASP 52 N -0.63 4.95 0.26 1.62 1.01 -1.26 -4.92 116.67 117.70 3dxz s ASP 52 Ca 0.42 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.39 3dxz s ASP 52 Cb 0.33 -1.51 -0.10 0.00 1.01 0.00 0.00 42.92 42.65 3dxz s ASP 52 CO 0.11 0.30 1.43 -0.04 0.21 0.00 0.00 175.17 177.18 3dxz s MET 53 N -0.42 4.26 0.27 8.23 -1.94 -1.23 -4.43 119.30 124.05 3dxz s MET 53 Ca 0.07 2.31 -0.29 0.00 -1.71 0.00 0.00 55.69 56.07 3dxz s MET 53 Cb -0.12 -3.10 -0.10 0.00 2.01 0.00 0.00 34.83 33.52 3dxz s MET 53 CO 0.02 -0.41 1.28 -0.51 -0.01 0.00 0.00 175.02 175.39 3dxz s LEU 54 N -0.58 4.44 -0.50 -0.03 1.43 0.81 -5.00 118.68 119.26 3dxz s LEU 54 Ca 0.58 2.52 -0.14 0.00 -1.03 0.00 0.00 54.13 56.07 3dxz s LEU 54 Cb -0.42 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.28 3dxz s LEU 54 CO 0.45 -0.48 0.42 -0.62 0.23 0.00 0.00 176.35 176.35 3dxz s ASP 55 N -0.23 6.01 0.14 2.29 2.15 -1.26 -4.68 116.67 121.09 3dxz s ASP 55 Ca 0.51 -1.68 -0.17 0.00 0.43 0.00 0.00 52.55 51.64 3dxz s ASP 55 Cb -0.37 -2.13 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 3dxz s ASP 55 CO 0.45 -0.74 1.77 -0.26 -0.17 0.00 0.00 175.17 176.23 3dxz h PHE 56 N 8.71 0.46 -0.85 -5.34 0.04 -1.94 0.11 116.94 118.12 3dxz h PHE 56 Ca -0.27 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.66 3dxz h PHE 56 Cb 1.09 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.99 3dxz h PHE 56 CO 0.68 0.32 0.42 -1.35 -0.60 0.00 0.00 178.31 177.78 3dxz h PRO 57 N 0.46 0.55 -0.37 1.51 0.11 -1.95 0.58 132.00 132.90 3dxz h PRO 57 Ca 0.13 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3dxz h PRO 57 Cb -0.01 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3dxz h PRO 57 CO -0.02 0.37 -0.23 0.00 -0.21 0.00 0.00 178.00 177.91 3dxz h ALA 58 N 1.58 0.52 -0.25 -0.75 0.00 -1.66 0.85 119.26 119.56 3dxz h ALA 58 Ca 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dxz h ALA 58 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3dxz h ALA 58 CO -0.39 0.50 0.06 1.25 0.00 0.00 0.00 179.25 180.67 3dxz h LEU 59 N 0.60 0.37 -0.06 0.00 5.85 -0.26 -3.30 115.31 118.51 3dxz h LEU 59 Ca 0.08 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3dxz h LEU 59 Cb 0.79 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3dxz h LEU 59 CO 0.06 0.50 -0.93 0.49 -0.34 0.00 0.00 178.44 178.23 3dxz n PHE 60 N -4.73 0.00 -1.09 1.25 3.72 0.15 -4.98 117.46 111.78 3dxz n PHE 60 Ca -0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 3dxz n PHE 60 Cb 0.17 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 3dxz n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dxz n GLY 61 N 1.49 0.61 3.70 1.37 0.00 0.27 -4.98 105.19 107.65 3dxz n GLY 61 Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 3dxz n GLY 61 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxz s ARG 62 N -2.24 0.82 -0.37 1.61 1.70 -1.05 -5.02 118.95 114.39 3dxz s ARG 62 Ca 0.00 -0.46 -0.13 0.00 -0.47 0.00 0.00 55.73 54.67 3dxz s ARG 62 Cb 0.00 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.66 3dxz s ARG 62 CO 0.00 -0.38 0.25 -1.21 -1.08 0.00 0.00 175.30 172.89 3dxz s GLU 63 N -2.83 3.13 0.11 3.89 2.02 -1.26 -3.88 118.70 119.88 3dxz s GLU 63 Ca 0.14 -0.89 -0.17 0.00 0.02 0.00 0.00 54.97 54.06 3dxz s GLU 63 Cb 0.02 -3.85 0.04 0.00 0.10 0.00 0.00 34.13 30.43 3dxz s GLU 63 CO -0.00 -0.62 0.42 0.00 0.02 0.00 0.00 175.26 175.08 3dxz s ALA 64 N 1.67 -1.01 0.38 5.21 0.00 -1.26 -5.13 121.76 121.62 3dxz s ALA 64 Ca 0.05 0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 3dxz s ALA 64 Cb -0.18 0.64 -0.11 0.00 0.00 0.00 0.00 23.12 23.46 3dxz s ALA 64 CO 0.09 -0.62 1.46 -2.30 0.00 0.00 0.00 175.76 174.39 3dxz n PRO 65 N -0.09 2.57 -4.56 0.00 -0.02 -1.26 -4.74 135.00 126.91 3dxz n PRO 65 Ca -0.17 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 3dxz n PRO 65 Cb 0.63 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 3dxz n PRO 65 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxz s VAL 66 N -1.12 3.14 -0.10 -1.45 1.01 -1.26 -0.62 120.40 120.00 3dxz s VAL 66 Ca 0.54 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3dxz s VAL 66 Cb -0.49 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3dxz s VAL 66 CO 0.63 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 175.24 3dxz s THR 67 N 0.60 3.30 -0.16 3.92 2.01 -0.42 -0.53 115.64 124.36 3dxz s THR 67 Ca -0.07 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 3dxz s THR 67 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 3dxz s THR 67 CO 0.03 0.55 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.24 3dxz s LEU 68 N -0.16 3.08 -0.21 4.42 2.96 -0.23 -0.78 118.68 127.75 3dxz s LEU 68 Ca 0.01 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3dxz s LEU 68 Cb -0.13 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3dxz s LEU 68 CO 0.03 0.13 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.49 3dxz s GLU 69 N 0.56 3.54 -0.14 1.98 2.12 -0.09 -0.20 118.70 126.47 3dxz s GLU 69 Ca -0.04 -0.55 -0.16 0.00 0.36 0.00 0.00 54.97 54.58 3dxz s GLU 69 Cb -0.15 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 3dxz s GLU 69 CO 0.03 -0.09 0.37 0.42 -0.54 0.00 0.00 175.26 175.45 3dxz s ILE 70 N 1.25 5.26 -0.84 -3.70 1.01 -0.11 -1.29 121.20 122.78 3dxz s ILE 70 Ca 0.03 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 3dxz s ILE 70 Cb -0.15 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3dxz s ILE 70 CO 0.01 0.36 0.71 0.61 0.00 0.00 0.00 174.94 176.63 3dxz n GLY 71 N 3.35 -0.34 0.00 6.18 0.00 0.12 -4.36 105.19 110.14 3dxz n GLY 71 Ca -0.10 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3dxz n GLY 71 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3dxz n PHE 72 N -3.10 0.00 0.00 1.61 1.16 -1.23 -4.77 117.46 111.12 3dxz n PHE 72 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3dxz n PHE 72 Cb 0.61 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 3dxz n PHE 72 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dxz n GLY 73 N 0.33 3.46 0.05 4.97 0.00 -1.26 -1.24 105.19 111.51 3dxz n GLY 73 Ca 0.08 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3dxz n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dxz n MET 74 N 13.45 0.54 -0.87 1.61 2.81 -1.26 -4.06 117.12 129.33 3dxz n MET 74 Ca 0.00 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 3dxz n MET 74 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 3dxz n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxz n GLY 75 N 1.28 0.53 0.19 3.03 0.00 -0.37 -2.35 105.19 107.49 3dxz n GLY 75 Ca 0.14 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 3dxz n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxz h ALA 76 N 0.00 0.55 -0.34 4.61 0.00 -1.92 -0.33 119.26 121.83 3dxz h ALA 76 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dxz h ALA 76 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3dxz h ALA 76 CO 0.00 0.02 0.16 1.03 0.00 0.00 0.00 179.25 180.46 3dxz h SER 77 N 0.58 0.46 -0.49 0.00 0.87 -1.93 -1.69 113.55 111.35 3dxz h SER 77 Ca 0.16 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3dxz h SER 77 Cb -0.03 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3dxz h SER 77 CO -0.03 0.47 0.20 0.25 -0.53 0.00 0.00 176.83 177.19 3dxz h LEU 78 N 0.42 0.66 -0.53 2.23 5.85 -1.81 0.05 115.31 122.18 3dxz h LEU 78 Ca 0.12 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3dxz h LEU 78 Cb 0.14 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3dxz h LEU 78 CO -0.01 0.64 0.10 0.58 -0.34 0.00 0.00 178.44 179.41 3dxz h VAL 79 N 0.64 1.25 -0.72 1.05 2.07 -1.03 -1.09 116.25 118.41 3dxz h VAL 79 Ca 0.16 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3dxz h VAL 79 Cb 0.18 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3dxz h VAL 79 CO -0.02 0.33 0.37 0.00 0.02 0.00 0.00 177.57 178.28 3dxz h ALA 80 N 0.99 0.93 -0.40 1.67 0.00 -1.00 0.06 119.26 121.51 3dxz h ALA 80 Ca 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3dxz h ALA 80 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dxz h ALA 80 CO 0.01 0.47 -0.03 1.98 0.00 0.00 0.00 179.25 181.68 3dxz h MET 81 N 1.01 0.73 -0.45 0.00 -1.53 -0.80 -1.87 114.93 112.02 3dxz h MET 81 Ca 0.25 -0.25 -0.11 0.00 -3.44 0.00 0.00 59.70 56.16 3dxz h MET 81 Cb 0.08 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 3dxz h MET 81 CO -0.04 0.83 -0.16 0.00 0.14 0.00 0.00 176.91 177.68 3dxz h ALA 82 N 0.87 0.88 -0.74 0.39 0.00 -1.01 -2.25 119.26 117.41 3dxz h ALA 82 Ca 0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3dxz h ALA 82 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3dxz h ALA 82 CO 0.03 0.63 0.24 -0.22 0.00 0.00 0.00 179.25 179.93 3dxz h LYS 83 N 0.75 1.14 0.00 0.00 3.64 -0.86 -2.91 116.57 118.33 3dxz h LYS 83 Ca 0.11 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3dxz h LYS 83 Cb 0.68 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3dxz h LYS 83 CO 0.05 0.96 0.00 0.22 -2.27 0.00 0.00 179.45 178.41 3dxz h ASP 84 N 1.10 0.00 -2.13 4.20 3.58 -1.17 -3.38 116.42 118.62 3dxz h ASP 84 Ca 0.24 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.12 3dxz h ASP 84 Cb 0.30 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.94 3dxz h ASP 84 CO -0.01 0.00 -0.83 0.54 -2.88 0.00 0.00 179.24 176.06 3dxz n ARG 85 N -2.92 1.98 0.27 0.28 1.74 -0.86 -4.93 116.66 112.22 3dxz n ARG 85 Ca 0.04 -4.14 0.18 0.00 -0.77 0.00 0.00 57.85 53.16 3dxz n ARG 85 Cb 0.47 -1.90 0.87 0.00 -1.02 0.00 0.00 32.46 30.89 3dxz n ARG 85 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dxz h PRO 86 N 3.69 0.00 -0.00 5.56 0.13 -1.74 -1.45 132.00 138.19 3dxz h PRO 86 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3dxz h PRO 86 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3dxz h PRO 86 CO 0.68 0.00 -0.08 -0.85 -0.23 0.00 0.00 178.00 177.52 3dxz n GLU 87 N -2.85 0.38 -4.38 0.86 0.00 -1.26 -4.85 120.64 108.53 3dxz n GLU 87 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 57.16 56.83 3dxz n GLU 87 Cb 0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.01 3dxz n GLU 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3dxz s GLN 88 N -2.68 2.00 0.14 3.44 -0.21 -0.55 -4.63 119.66 117.18 3dxz s GLN 88 Ca 0.24 -1.71 0.08 0.00 0.02 0.00 0.00 55.36 53.99 3dxz s GLN 88 Cb 0.20 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.25 3dxz s GLN 88 CO 0.50 0.22 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.28 3dxz s ASP 89 N -3.65 4.30 -0.03 5.90 1.01 0.21 -4.85 116.67 119.56 3dxz s ASP 89 Ca 0.33 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 53.12 3dxz s ASP 89 Cb -0.02 -0.76 0.02 0.00 1.01 0.00 0.00 42.92 43.16 3dxz s ASP 89 CO 0.18 0.15 -0.02 -0.36 0.21 0.00 0.00 175.17 175.33 3dxz s PHE 90 N -1.41 0.42 -0.07 4.23 0.08 -0.10 -1.30 117.98 119.84 3dxz s PHE 90 Ca 0.22 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.27 3dxz s PHE 90 Cb -0.10 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 41.91 3dxz s PHE 90 CO 0.14 -0.11 -0.23 -1.17 -0.10 0.00 0.00 175.22 173.74 3dxz s LEU 91 N 0.74 2.16 0.06 -0.37 2.96 0.04 -1.22 118.68 123.05 3dxz s LEU 91 Ca -0.08 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 3dxz s LEU 91 Cb -0.11 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3dxz s LEU 91 CO -0.01 0.23 -0.23 -0.83 -1.32 0.00 0.00 176.35 174.20 3dxz s GLY 92 N -0.10 1.51 -0.07 7.98 0.00 -0.08 -0.91 107.32 115.66 3dxz s GLY 92 Ca -0.05 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.41 3dxz s GLY 92 CO 0.04 -1.19 -0.12 -0.42 0.00 0.00 0.00 173.10 171.41 3dxz s ILE 93 N -0.91 1.13 -0.19 0.90 1.01 -0.41 -0.59 121.20 122.14 3dxz s ILE 93 Ca 0.14 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 3dxz s ILE 93 Cb -0.10 -1.04 0.08 0.00 0.01 0.00 0.00 42.46 41.41 3dxz s ILE 93 CO 0.04 0.36 0.43 -0.70 0.00 0.00 0.00 174.94 175.07 3dxz s GLU 94 N 0.71 0.36 0.50 2.79 2.56 -0.62 0.10 118.70 125.10 3dxz s GLU 94 Ca -0.14 0.97 0.29 0.00 0.00 0.00 0.00 54.97 56.09 3dxz s GLU 94 Cb -0.16 0.23 1.01 0.00 2.00 0.00 0.00 34.13 37.21 3dxz s GLU 94 CO 0.03 -0.22 1.85 -0.39 -0.56 0.00 0.00 175.26 175.98 3dxz h VAL 95 N 5.95 0.12 -2.83 3.70 -1.51 -1.84 -3.32 116.25 116.53 3dxz h VAL 95 Ca -0.22 -0.78 -0.58 0.00 -1.23 0.00 0.00 66.70 63.88 3dxz h VAL 95 Cb 1.13 1.70 -0.11 0.00 -2.13 0.00 0.00 31.29 31.89 3dxz h VAL 95 CO 0.17 0.05 0.78 -2.28 -1.23 0.00 0.00 177.57 175.07 3dxz s HIS 96 N -3.54 2.58 0.32 5.19 5.04 -1.26 -4.81 115.29 118.82 3dxz s HIS 96 Ca 0.02 -0.07 0.01 0.00 -1.54 0.00 0.00 55.06 53.49 3dxz s HIS 96 Cb 0.08 -4.37 0.54 0.00 0.04 0.00 0.00 32.58 28.87 3dxz s HIS 96 CO 0.59 -1.68 1.91 0.66 -2.34 0.00 0.00 174.74 173.89 3dxz h SER 97 N 9.62 0.69 -0.25 9.88 4.64 -1.98 -1.21 113.55 134.94 3dxz h SER 97 Ca -0.27 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3dxz h SER 97 Cb 1.06 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3dxz h SER 97 CO 1.18 0.62 0.16 -0.65 -0.87 0.00 0.00 176.83 177.28 3dxz h PRO 98 N 0.76 0.34 -0.28 4.77 0.11 -1.97 -0.37 132.00 135.37 3dxz h PRO 98 Ca 0.18 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3dxz h PRO 98 Cb 0.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3dxz h PRO 98 CO -0.02 0.23 0.08 0.78 -0.21 0.00 0.00 178.00 178.86 3dxz h GLY 99 N 0.36 0.48 0.46 -0.55 0.00 -1.43 -0.43 103.07 101.96 3dxz h GLY 99 Ca 0.09 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.21 3dxz h GLY 99 CO -0.02 0.27 0.16 -2.08 0.00 0.00 0.00 176.54 174.87 3dxz h VAL 100 N 0.29 0.79 -0.32 4.60 2.07 -0.89 0.40 116.25 123.19 3dxz h VAL 100 Ca 0.09 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3dxz h VAL 100 Cb 0.26 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3dxz h VAL 100 CO -0.00 0.06 0.21 1.23 0.02 0.00 0.00 177.57 179.09 3dxz h GLY 101 N 0.33 0.45 1.00 2.17 0.00 -0.87 -0.46 103.07 105.69 3dxz h GLY 101 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3dxz h GLY 101 CO -0.28 0.17 0.35 0.00 0.00 0.00 0.00 176.54 176.78 3dxz h ALA 102 N 1.11 0.85 -0.46 3.60 0.00 -0.71 -0.91 119.26 122.75 3dxz h ALA 102 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dxz h ALA 102 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dxz h ALA 102 CO -0.02 0.38 0.26 0.00 0.00 0.00 0.00 179.25 179.87 3dxz h LEU 104 N 0.60 0.68 -0.63 0.00 3.38 -0.80 0.32 115.31 118.85 3dxz h LEU 104 Ca 0.16 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3dxz h LEU 104 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3dxz h LEU 104 CO -0.03 0.56 0.41 0.00 0.09 0.00 0.00 178.44 179.47 3dxz h ALA 105 N 1.15 0.80 -0.34 1.53 0.00 -0.96 -0.08 119.26 121.36 3dxz h ALA 105 Ca 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3dxz h ALA 105 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dxz h ALA 105 CO -0.03 0.21 -0.07 0.77 0.00 0.00 0.00 179.25 180.13 3dxz h SER 106 N 0.84 0.65 -0.83 0.00 0.02 -0.99 -0.96 113.55 112.28 3dxz h SER 106 Ca 0.24 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3dxz h SER 106 Cb -0.08 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 3dxz h SER 106 CO -0.06 0.85 0.42 0.00 -1.14 0.00 0.00 176.83 176.90 3dxz h ALA 107 N 0.82 1.07 -0.56 3.77 0.00 -0.75 -1.34 119.26 122.26 3dxz h ALA 107 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dxz h ALA 107 Cb 0.56 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dxz h ALA 107 CO 0.03 0.61 0.15 1.25 0.00 0.00 0.00 179.25 181.29 3dxz h HIS 108 N 1.17 0.92 -0.02 0.00 6.17 -0.93 -1.72 115.15 120.74 3dxz h HIS 108 Ca 0.29 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 3dxz h HIS 108 Cb 0.09 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 29.75 3dxz h HIS 108 CO 0.01 0.79 -0.03 1.49 0.71 0.00 0.00 177.93 180.89 3dxz h GLU 109 N 0.79 0.02 -0.02 5.26 4.57 -0.61 -1.22 114.58 123.37 3dxz h GLU 109 Ca 0.18 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3dxz h GLU 109 Cb 0.31 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3dxz h GLU 109 CO -0.00 0.06 -0.12 0.39 -1.18 0.00 0.00 179.01 178.16 3dxz n GLU 110 N -4.49 1.60 -3.43 1.92 -0.58 -0.56 -4.97 120.64 110.13 3dxz n GLU 110 Ca -0.03 -1.11 -0.20 0.00 -0.42 0.00 0.00 57.16 55.41 3dxz n GLU 110 Cb 0.13 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 29.59 3dxz n GLU 110 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dxz n GLY 111 N 1.28 -0.37 3.76 0.62 0.00 -0.46 -4.97 105.19 105.04 3dxz n GLY 111 Ca 0.15 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 3dxz n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxz s LEU 112 N -6.49 4.59 0.00 0.99 1.43 -0.78 -4.96 118.68 113.47 3dxz s LEU 112 Ca 0.36 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 55.31 3dxz s LEU 112 Cb -0.16 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 3dxz s LEU 112 CO 0.66 0.14 0.47 -1.54 0.23 0.00 0.00 176.35 176.31 3dxz n SER 113 N 1.79 0.80 -1.46 2.29 3.41 -1.26 -4.72 113.62 114.46 3dxz n SER 113 Ca -0.03 -0.90 -0.03 0.00 -0.26 0.00 0.00 58.87 57.65 3dxz n SER 113 Cb 0.48 0.67 0.25 0.00 -0.26 0.00 0.00 64.21 65.35 3dxz n SER 113 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dxz n ASN 114 N -0.64 3.71 -3.99 4.04 6.94 -1.26 -4.94 115.26 119.13 3dxz n ASN 114 Ca 0.03 -3.39 -0.22 0.00 -0.02 0.00 0.00 54.58 50.98 3dxz n ASN 114 Cb 0.15 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.74 3dxz n ASN 114 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3dxz s LEU 115 N -3.07 1.62 0.08 -4.53 0.20 -1.26 -0.92 118.68 110.80 3dxz s LEU 115 Ca 0.49 -0.22 0.05 0.00 0.69 0.00 0.00 54.13 55.14 3dxz s LEU 115 Cb 0.41 -0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 45.49 3dxz s LEU 115 CO 0.08 0.03 -0.14 -0.13 -0.29 0.00 0.00 176.35 175.89 3dxz s ARG 116 N 0.55 0.86 0.07 1.98 1.81 -0.36 -4.82 118.95 119.05 3dxz s ARG 116 Ca -0.10 -1.04 0.03 0.00 -1.72 0.00 0.00 55.73 52.90 3dxz s ARG 116 Cb -0.13 -0.81 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 3dxz s ARG 116 CO 0.02 0.17 -0.09 0.14 -0.68 0.00 0.00 175.30 174.86 3dxz s VAL 117 N -1.58 0.75 0.09 3.52 -7.23 -0.32 -0.90 120.40 114.73 3dxz s VAL 117 Ca 0.01 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 3dxz s VAL 117 Cb -0.08 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3dxz s VAL 117 CO 0.02 -0.54 -0.16 -0.04 -0.31 0.00 0.00 175.10 174.07 3dxz s MET 118 N -2.49 0.94 -0.63 4.82 -1.94 0.24 -1.06 119.30 119.18 3dxz s MET 118 Ca 0.01 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 52.96 3dxz s MET 118 Cb -0.04 -1.02 0.16 0.00 2.01 0.00 0.00 34.83 35.93 3dxz s MET 118 CO -0.01 0.23 0.41 0.00 -0.01 0.00 0.00 175.02 175.64 3dxz s HIS 120 N -0.69 -0.32 -0.01 0.00 5.04 -1.25 -4.91 115.29 113.15 3dxz s HIS 120 Ca 0.20 0.24 -0.31 0.00 -1.54 0.00 0.00 55.06 53.65 3dxz s HIS 120 Cb -0.17 0.53 -0.09 0.00 0.04 0.00 0.00 32.58 32.88 3dxz s HIS 120 CO -0.06 -0.49 1.98 -3.47 -2.34 0.00 0.00 174.74 170.36 3dxz n ASP 121 N -0.14 3.95 0.14 9.88 -0.08 -1.26 -4.18 116.55 124.87 3dxz n ASP 121 Ca -0.08 0.85 0.05 0.00 -1.51 0.00 0.00 54.79 54.11 3dxz n ASP 121 Cb 0.61 -1.50 0.50 0.00 2.34 0.00 0.00 41.12 43.08 3dxz n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dxz h ALA 122 N 10.73 1.77 -0.32 -1.67 0.00 -1.98 -2.31 119.26 125.47 3dxz h ALA 122 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3dxz h ALA 122 Cb 1.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3dxz h ALA 122 CO 0.94 0.18 0.21 0.28 0.00 0.00 0.00 179.25 180.86 3dxz h VAL 123 N 0.22 1.09 -0.34 0.00 2.07 -2.00 0.39 116.25 117.69 3dxz h VAL 123 Ca 0.06 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3dxz h VAL 123 Cb 0.10 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3dxz h VAL 123 CO -0.00 0.09 -0.23 -0.08 0.02 0.00 0.00 177.57 177.36 3dxz h GLU 124 N 0.42 0.66 -0.44 1.57 4.81 -1.85 -1.85 114.58 117.90 3dxz h GLU 124 Ca 0.12 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3dxz h GLU 124 Cb -0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3dxz h GLU 124 CO -0.02 0.83 0.21 0.28 -0.73 0.00 0.00 179.01 179.57 3dxz h VAL 125 N 0.58 1.18 -0.21 0.32 2.07 -1.05 -1.01 116.25 118.13 3dxz h VAL 125 Ca 0.08 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3dxz h VAL 125 Cb 0.70 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3dxz h VAL 125 CO 0.05 0.20 -0.01 -0.07 0.02 0.00 0.00 177.57 177.76 3dxz h LEU 126 N 0.57 -0.11 -0.55 2.57 3.38 -0.72 0.22 115.31 120.66 3dxz h LEU 126 Ca 0.15 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3dxz h LEU 126 Cb 0.13 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3dxz h LEU 126 CO -0.02 -0.03 0.26 0.45 0.09 0.00 0.00 178.44 179.20 3dxz h HIS 127 N 0.05 0.79 0.00 1.13 3.86 -1.14 -3.24 115.15 116.60 3dxz h HIS 127 Ca 0.10 -0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.11 3dxz h HIS 127 Cb 0.13 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 3dxz h HIS 127 CO -0.19 0.61 -2.12 1.63 0.86 0.00 0.00 177.93 178.72 3dxz n LYS 128 N -4.56 0.73 0.00 2.45 4.76 -0.40 -4.75 118.16 116.39 3dxz n LYS 128 Ca 0.03 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3dxz n LYS 128 Cb 0.12 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3dxz n LYS 128 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3dxz n MET 129 N -2.45 1.55 -3.52 1.97 2.81 0.74 -3.52 117.12 114.71 3dxz n MET 129 Ca -0.16 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.33 3dxz n MET 129 Cb 0.81 -0.86 -0.10 0.00 -0.71 0.00 0.00 33.22 32.36 3dxz n MET 129 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dxz s ILE 130 N -1.57 5.26 0.57 2.02 -1.09 -1.02 -0.13 121.20 125.24 3dxz s ILE 130 Ca 0.00 0.10 -0.20 0.00 -2.23 0.00 0.00 60.65 58.32 3dxz s ILE 130 Cb 0.00 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3dxz s ILE 130 CO 0.00 0.11 1.22 -2.84 -1.23 0.00 0.00 174.94 172.20 3dxz s PRO 131 N 1.83 3.11 0.54 2.79 0.02 -1.26 -4.85 135.00 137.18 3dxz s PRO 131 Ca 0.09 1.86 -0.21 0.00 0.02 0.00 0.00 61.00 62.76 3dxz s PRO 131 Cb -0.16 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 3dxz s PRO 131 CO 0.11 -1.11 1.11 -0.25 -0.33 0.00 0.00 177.00 176.53 3dxz n ASP 132 N -1.37 1.54 -1.88 2.53 9.92 -1.26 -3.30 116.55 122.73 3dxz n ASP 132 Ca 0.12 0.92 -0.20 0.00 -0.53 0.00 0.00 54.79 55.10 3dxz n ASP 132 Cb 0.49 -1.44 -0.05 0.00 -0.64 0.00 0.00 41.12 39.47 3dxz n ASP 132 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3dxz n ASN 133 N -0.51 -5.59 -0.01 -2.24 3.02 0.16 -4.87 115.26 105.23 3dxz n ASN 133 Ca 0.11 0.27 0.10 0.00 -0.03 0.00 0.00 54.58 55.03 3dxz n ASN 133 Cb 0.44 -4.76 -0.14 0.00 -0.61 0.00 0.00 39.78 34.71 3dxz n ASN 133 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3dxz n SER 134 N -1.53 0.65 -4.81 6.41 3.41 -0.33 -3.73 113.62 113.70 3dxz n SER 134 Ca -0.22 -0.12 -0.36 0.00 -0.26 0.00 0.00 58.87 57.91 3dxz n SER 134 Cb 0.67 1.76 -0.07 0.00 -0.26 0.00 0.00 64.21 66.31 3dxz n SER 134 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dxz s LEU 135 N -4.14 4.06 0.09 1.04 1.43 0.48 -4.62 118.68 117.03 3dxz s LEU 135 Ca -0.05 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3dxz s LEU 135 Cb 0.12 -2.05 -0.22 0.00 0.03 0.00 0.00 46.19 44.07 3dxz s LEU 135 CO 0.79 0.37 1.19 -0.09 0.23 0.00 0.00 176.35 178.84 3dxz h ARG 136 N 4.84 0.35 -2.33 1.70 9.65 -1.13 0.00 114.38 127.46 3dxz h ARG 136 Ca -0.52 -0.50 -0.08 0.00 -1.10 0.00 0.00 59.98 57.78 3dxz h ARG 136 Cb 1.21 0.17 -0.21 0.00 -1.39 0.00 0.00 29.97 29.75 3dxz h ARG 136 CO 0.58 1.20 -0.01 1.41 2.80 0.00 0.00 179.97 185.96 3dxz s MET 137 N -2.88 0.77 -0.10 0.20 0.00 -1.23 -2.06 119.30 114.00 3dxz s MET 137 Ca -0.05 0.58 0.02 0.00 0.00 0.00 0.00 55.69 56.24 3dxz s MET 137 Cb 0.07 0.37 0.01 0.00 0.00 0.00 0.00 34.83 35.28 3dxz s MET 137 CO 0.88 -0.15 -0.18 0.08 0.00 0.00 0.00 175.02 175.66 3dxz s VAL 138 N -0.21 1.65 -0.10 10.11 1.01 -0.21 -1.07 120.40 131.59 3dxz s VAL 138 Ca -0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3dxz s VAL 138 Cb -0.03 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3dxz s VAL 138 CO 0.03 0.47 -0.08 -1.10 0.00 0.00 0.00 175.10 174.43 3dxz s GLN 139 N 0.75 3.03 -0.34 2.72 -0.21 0.72 -0.96 119.66 125.38 3dxz s GLN 139 Ca -0.11 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.69 3dxz s GLN 139 Cb -0.16 -2.65 0.13 0.00 1.00 0.00 0.00 33.01 31.33 3dxz s GLN 139 CO 0.02 0.50 0.18 -1.17 -2.12 0.00 0.00 175.29 172.70 3dxz s LEU 140 N -0.36 0.99 -0.23 2.90 2.96 0.05 -0.94 118.68 124.05 3dxz s LEU 140 Ca 0.05 -1.92 -0.08 0.00 -0.22 0.00 0.00 54.13 51.96 3dxz s LEU 140 Cb -0.12 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 3dxz s LEU 140 CO 0.02 -0.35 0.08 -0.36 -1.32 0.00 0.00 176.35 174.43 3dxz s PHE 141 N 1.36 3.16 -1.31 5.38 0.08 -1.26 -1.63 117.98 123.76 3dxz s PHE 141 Ca 0.15 -0.15 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 3dxz s PHE 141 Cb -0.21 -2.20 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 3dxz s PHE 141 CO -0.11 -0.14 0.61 1.19 -0.10 0.00 0.00 175.22 176.67 3dxz n PHE 142 N 4.42 -1.82 -1.39 0.36 3.72 0.62 -4.94 117.46 118.43 3dxz n PHE 142 Ca -0.16 0.73 -0.34 0.00 -0.05 0.00 0.00 57.45 57.64 3dxz n PHE 142 Cb 0.52 -3.96 0.10 0.00 -0.94 0.00 0.00 39.48 35.20 3dxz n PHE 142 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dxz s PRO 143 N -6.17 2.10 -0.37 -1.08 0.04 -1.26 -4.77 135.00 123.50 3dxz s PRO 143 Ca 0.10 1.69 -0.42 0.00 0.04 0.00 0.00 61.00 62.41 3dxz s PRO 143 Cb -0.03 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.51 3dxz s PRO 143 CO 0.85 -1.85 1.79 -0.25 0.04 0.00 0.00 177.00 177.58 3dxz n ASP 144 N -2.85 1.90 0.20 6.66 8.00 -1.26 -4.83 116.55 124.37 3dxz n ASP 144 Ca 0.13 1.00 0.09 0.00 0.71 0.00 0.00 54.79 56.72 3dxz n ASP 144 Cb 0.51 -1.06 0.20 0.00 -0.02 0.00 0.00 41.12 40.75 3dxz n ASP 144 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3dxz h PRO 145 N 7.33 0.00 -6.43 -0.24 0.13 -1.99 -3.44 132.00 127.36 3dxz h PRO 145 Ca -0.40 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.35 3dxz h PRO 145 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3dxz h PRO 145 CO 0.99 0.21 -0.89 0.91 -0.23 0.00 0.00 178.00 178.98 3dxz n TRP 146 N -3.19 -2.33 -0.29 1.56 7.02 -1.26 -4.85 117.44 114.11 3dxz n TRP 146 Ca 0.02 0.94 0.04 0.00 -1.02 0.00 0.00 57.50 57.49 3dxz n TRP 146 Cb 0.57 -2.94 0.26 0.00 -2.42 0.00 0.00 31.31 26.77 3dxz n TRP 146 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3dxz h HIS 147 N 0.19 1.00 -3.49 -5.99 3.86 -1.94 -3.42 115.15 105.36 3dxz h HIS 147 Ca -0.49 0.03 -0.52 0.00 -1.16 0.00 0.00 60.37 58.22 3dxz h HIS 147 Cb 1.32 -0.33 0.02 0.00 1.06 0.00 0.00 27.41 29.48 3dxz h HIS 147 CO 0.19 0.52 0.58 0.15 0.86 0.00 0.00 177.93 180.24 3dxz s LYS 148 N -5.87 4.46 0.37 2.45 1.02 -1.26 -4.92 119.74 115.99 3dxz s LYS 148 Ca -0.11 1.94 0.08 0.00 0.02 0.00 0.00 55.97 57.90 3dxz s LYS 148 Cb 0.20 -3.22 0.81 0.00 -0.52 0.00 0.00 37.83 35.10 3dxz s LYS 148 CO 0.79 -0.12 1.92 0.00 -0.92 0.00 0.00 175.35 177.02 3dxz h ALA 149 N 5.12 1.81 0.00 5.17 0.00 -2.01 -0.28 119.26 129.07 3dxz h ALA 149 Ca -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dxz h ALA 149 Cb 1.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dxz h ALA 149 CO 0.74 0.01 -0.00 0.07 0.00 0.00 0.00 179.25 180.08 3dxz h ARG 150 N 0.69 0.00 -0.55 0.00 0.11 -1.94 -1.46 114.38 111.23 3dxz h ARG 150 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 3dxz h ARG 150 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3dxz h ARG 150 CO -0.15 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.64 3dxz n HIS 151 N -3.09 0.73 -0.13 4.08 8.25 -0.12 -4.69 115.22 120.24 3dxz n HIS 151 Ca -0.02 -0.42 0.13 0.00 -0.26 0.00 0.00 57.72 57.14 3dxz n HIS 151 Cb 0.11 -0.01 0.48 0.00 1.12 0.00 0.00 29.99 31.69 3dxz n HIS 151 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 3dxz h ASN 152 N 3.85 0.43 0.95 0.41 7.08 -1.21 0.29 115.58 127.37 3dxz h ASN 152 Ca 0.00 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 3dxz h ASN 152 Cb 0.92 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.09 3dxz h ASN 152 CO 0.00 0.25 0.00 0.29 -2.08 0.00 0.00 177.43 175.89 3dxz n LYS 153 N -4.48 0.18 0.14 4.14 4.76 -1.26 -2.68 118.16 118.96 3dxz n LYS 153 Ca 0.12 0.31 0.13 0.00 -2.87 0.00 0.00 58.31 56.00 3dxz n LYS 153 Cb 0.42 -1.79 0.41 0.00 -1.84 0.00 0.00 35.03 32.23 3dxz n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxz h ARG 154 N 0.00 0.00 -6.61 1.97 3.08 -1.29 -3.45 114.38 108.08 3dxz h ARG 154 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3dxz h ARG 154 Cb 0.47 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.57 3dxz h ARG 154 CO 0.00 0.00 0.84 1.03 -1.07 0.00 0.00 179.97 180.77 3dxz s ARG 155 N -3.22 4.24 0.31 0.04 0.52 -1.09 -4.91 118.95 114.84 3dxz s ARG 155 Ca 0.08 2.31 0.09 0.00 -0.52 0.00 0.00 55.73 57.68 3dxz s ARG 155 Cb 0.10 -3.16 0.50 0.00 0.52 0.00 0.00 34.95 32.90 3dxz s ARG 155 CO 0.56 -0.56 1.71 0.97 0.02 0.00 0.00 175.30 177.99 3dxz h ILE 156 N 4.01 1.33 -2.52 1.52 2.10 -1.87 -3.39 117.51 118.69 3dxz h ILE 156 Ca -0.43 -1.59 -0.54 0.00 1.08 0.00 0.00 64.86 63.38 3dxz h ILE 156 Cb 1.21 1.79 -0.07 0.00 -1.09 0.00 0.00 36.82 38.66 3dxz h ILE 156 CO 0.89 0.47 1.08 -0.69 -1.08 0.00 0.00 178.15 178.82 3dxz s VAL 157 N -4.03 3.74 0.14 2.19 1.01 -1.26 -4.72 120.40 117.47 3dxz s VAL 157 Ca -0.03 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 3dxz s VAL 157 Cb 0.13 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 3dxz s VAL 157 CO 0.76 -1.60 0.06 -1.10 0.00 0.00 0.00 175.10 173.22 3dxz s GLN 158 N 5.70 0.96 0.13 2.72 -1.52 -1.26 -4.85 119.66 121.54 3dxz s GLN 158 Ca 0.41 -1.46 -0.21 0.00 -1.95 0.00 0.00 55.36 52.15 3dxz s GLN 158 Cb -0.09 0.21 -0.01 0.00 -0.22 0.00 0.00 33.01 32.91 3dxz s GLN 158 CO 0.18 -0.26 1.67 0.28 -0.25 0.00 0.00 175.29 176.92 3dxz h VAL 159 N 2.84 0.63 -0.78 1.09 2.07 -1.91 -0.46 116.25 119.73 3dxz h VAL 159 Ca -0.35 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3dxz h VAL 159 Cb 1.20 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3dxz h VAL 159 CO 0.59 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 178.03 3dxz h PRO 160 N -0.14 0.95 -0.46 1.57 0.11 -1.98 0.51 132.00 132.57 3dxz h PRO 160 Ca 0.10 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3dxz h PRO 160 Cb 0.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3dxz h PRO 160 CO -0.25 0.63 0.20 0.35 -0.21 0.00 0.00 178.00 178.72 3dxz h PHE 161 N 0.98 0.67 -0.64 0.65 3.57 -1.75 -0.26 116.94 120.17 3dxz h PHE 161 Ca 0.31 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 3dxz h PHE 161 Cb 0.00 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3dxz h PHE 161 CO -0.03 0.56 0.18 0.00 -2.23 0.00 0.00 178.31 176.79 3dxz h ALA 162 N 1.05 1.11 -0.70 2.41 0.00 -0.60 -0.02 119.26 122.50 3dxz h ALA 162 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dxz h ALA 162 Cb 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dxz h ALA 162 CO -0.02 0.61 0.24 0.93 0.00 0.00 0.00 179.25 181.01 3dxz h GLU 163 N 0.95 1.07 -0.19 0.00 4.39 -0.70 -1.10 114.58 119.01 3dxz h GLU 163 Ca 0.21 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3dxz h GLU 163 Cb 0.31 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3dxz h GLU 163 CO -0.00 0.91 0.09 1.25 -1.16 0.00 0.00 179.01 180.10 3dxz h LEU 164 N 1.02 0.24 -0.72 1.33 5.85 -0.39 -1.76 115.31 120.88 3dxz h LEU 164 Ca 0.23 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3dxz h LEU 164 Cb 0.27 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3dxz h LEU 164 CO -0.01 0.29 0.43 0.58 -0.34 0.00 0.00 178.44 179.39 3dxz h VAL 165 N 0.18 1.03 -0.85 1.05 2.07 -0.93 -2.47 116.25 116.32 3dxz h VAL 165 Ca 0.07 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3dxz h VAL 165 Cb 0.11 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 3dxz h VAL 165 CO -0.01 0.15 0.55 0.50 0.02 0.00 0.00 177.57 178.77 3dxz h LYS 166 N 0.80 1.03 0.00 1.57 3.64 -0.73 -1.48 116.57 121.40 3dxz h LYS 166 Ca 0.31 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3dxz h LYS 166 Cb 0.13 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3dxz h LYS 166 CO -0.16 0.68 -0.01 0.66 -2.27 0.00 0.00 179.45 178.36 3dxz h SER 167 N 1.06 0.00 0.24 4.20 4.64 -0.85 -2.09 113.55 120.75 3dxz h SER 167 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3dxz h SER 167 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3dxz h SER 167 CO -0.12 0.01 -0.98 0.29 -0.87 0.00 0.00 176.83 175.16 3dxz n LYS 168 N -3.12 0.13 -2.93 4.77 4.76 -0.57 -0.66 118.16 120.54 3dxz n LYS 168 Ca -0.02 -0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.02 3dxz n LYS 168 Cb 0.17 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 3dxz n LYS 168 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dxz s LEU 169 N -3.39 4.56 0.76 -0.35 1.43 -0.79 -0.39 118.68 120.52 3dxz s LEU 169 Ca 0.06 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 3dxz s LEU 169 Cb 0.16 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.98 3dxz s LEU 169 CO 0.82 0.16 1.12 0.00 0.23 0.00 0.00 176.35 178.67 3dxz s GLN 170 N -1.31 2.20 0.31 1.70 -2.07 -0.01 -4.07 119.66 116.40 3dxz s GLN 170 Ca 0.39 1.35 -0.30 0.00 -1.82 0.00 0.00 55.36 54.98 3dxz s GLN 170 Cb -0.23 -1.88 -0.11 0.00 -1.09 0.00 0.00 33.01 29.70 3dxz s GLN 170 CO 0.27 -1.71 1.59 -0.51 -1.32 0.00 0.00 175.29 173.60 3dxz s LEU 171 N -5.66 4.33 0.00 2.60 1.43 -1.26 -0.44 118.68 119.68 3dxz s LEU 171 Ca 0.65 2.99 0.00 0.00 -1.03 0.00 0.00 54.13 56.74 3dxz s LEU 171 Cb -0.20 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3dxz s LEU 171 CO 0.51 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.78 3dxz n GLY 172 N 1.82 2.31 3.75 -3.19 0.00 0.23 -4.98 105.19 105.13 3dxz n GLY 172 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3dxz n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxz s GLY 173 N -1.91 1.68 -0.03 -0.02 0.00 0.41 -4.68 107.32 102.77 3dxz s GLY 173 Ca 0.00 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.09 3dxz s GLY 173 CO 0.00 0.67 -0.19 0.14 0.00 0.00 0.00 173.10 173.72 3dxz s VAL 174 N -2.87 1.51 -0.32 1.40 1.01 -0.87 -0.72 120.40 119.54 3dxz s VAL 174 Ca 0.62 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 3dxz s VAL 174 Cb -0.18 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3dxz s VAL 174 CO 0.56 0.43 0.20 0.12 0.00 0.00 0.00 175.10 176.41 3dxz s PHE 175 N -0.26 3.21 -0.19 5.22 5.36 -0.17 -1.04 117.98 130.10 3dxz s PHE 175 Ca 0.03 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.68 3dxz s PHE 175 Cb -0.09 -2.42 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 3dxz s PHE 175 CO 0.01 -0.37 -0.15 -1.58 -1.46 0.00 0.00 175.22 171.66 3dxz s HIS 176 N 1.68 2.84 0.18 10.12 5.65 -0.14 -1.63 115.29 134.00 3dxz s HIS 176 Ca 0.06 -1.47 0.09 0.00 0.25 0.00 0.00 55.06 53.98 3dxz s HIS 176 Cb -0.17 -1.97 -0.04 0.00 -1.18 0.00 0.00 32.58 29.22 3dxz s HIS 176 CO 0.09 -0.74 -0.19 0.00 -0.65 0.00 0.00 174.74 173.25 3dxz s MET 177 N 1.34 1.34 -0.02 2.88 0.23 -0.18 -0.77 119.30 124.11 3dxz s MET 177 Ca 0.05 -1.45 -0.04 0.00 -1.03 0.00 0.00 55.69 53.21 3dxz s MET 177 Cb -0.14 -1.42 0.00 0.00 -1.53 0.00 0.00 34.83 31.74 3dxz s MET 177 CO -0.10 0.29 0.09 0.00 -2.03 0.00 0.00 175.02 173.26 3dxz s ALA 178 N -2.06 -0.21 0.05 3.16 0.00 -0.65 -0.55 121.76 121.51 3dxz s ALA 178 Ca 0.18 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 3dxz s ALA 178 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3dxz s ALA 178 CO 0.08 -0.11 0.21 -0.08 0.00 0.00 0.00 175.76 175.85 3dxz s THR 179 N -0.63 0.11 -0.42 0.00 -1.32 -0.21 -0.28 115.64 112.89 3dxz s THR 179 Ca -0.07 -0.93 0.15 0.00 -1.21 0.00 0.00 61.69 59.64 3dxz s THR 179 Cb -0.04 -1.01 0.54 0.00 -1.51 0.00 0.00 72.50 70.48 3dxz s THR 179 CO 0.00 -0.51 1.45 -0.90 -2.21 0.00 0.00 174.62 172.45 3dxz n ASP 180 N 0.50 4.01 -4.00 8.08 5.75 -1.26 -0.29 116.55 129.33 3dxz n ASP 180 Ca -0.18 -2.76 -0.31 0.00 -0.01 0.00 0.00 54.79 51.53 3dxz n ASP 180 Cb 0.60 -0.50 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 3dxz n ASP 180 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3dxz s TRP 181 N -2.37 2.98 0.23 2.11 -0.11 -1.26 -4.86 118.94 115.65 3dxz s TRP 181 Ca 0.41 -2.22 -0.06 0.00 1.22 0.00 0.00 56.10 55.45 3dxz s TRP 181 Cb 0.31 -1.98 0.33 0.00 -1.50 0.00 0.00 33.47 30.63 3dxz s TRP 181 CO 0.13 -0.86 1.83 1.49 -4.62 0.00 0.00 176.95 174.92 3dxz h GLU 182 N 7.82 0.81 -0.83 5.86 4.81 -1.93 -0.58 114.58 130.55 3dxz h GLU 182 Ca -0.16 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3dxz h GLU 182 Cb 1.05 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.18 3dxz h GLU 182 CO 0.45 0.54 0.54 -1.35 -0.73 0.00 0.00 179.01 178.46 3dxz h PRO 183 N 0.84 0.73 -0.23 0.92 0.11 -1.99 0.13 132.00 132.51 3dxz h PRO 183 Ca 0.36 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 3dxz h PRO 183 Cb 0.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3dxz h PRO 183 CO -0.20 0.49 -0.35 -0.92 -0.21 0.00 0.00 178.00 176.80 3dxz h TYR 184 N 0.76 0.80 -0.56 0.65 3.20 -1.51 -1.78 116.97 118.54 3dxz h TYR 184 Ca 0.39 -0.27 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3dxz h TYR 184 Cb 0.48 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 3dxz h TYR 184 CO -0.00 1.02 0.21 0.00 -1.64 0.00 0.00 178.16 177.75 3dxz h ALA 185 N 0.64 0.70 -0.57 1.82 0.00 -0.26 0.32 119.26 121.91 3dxz h ALA 185 Ca 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3dxz h ALA 185 Cb 0.94 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dxz h ALA 185 CO 0.08 -0.18 0.02 0.93 0.00 0.00 0.00 179.25 180.10 3dxz h GLU 186 N 0.40 0.98 -0.23 0.00 4.39 -0.73 -0.53 114.58 118.86 3dxz h GLU 186 Ca 0.27 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3dxz h GLU 186 Cb 0.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3dxz h GLU 186 CO -0.26 0.95 0.09 1.25 -1.16 0.00 0.00 179.01 179.87 3dxz h HIS 187 N 0.90 0.36 -0.61 4.33 2.76 -0.57 -1.30 115.15 121.01 3dxz h HIS 187 Ca 0.17 -0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 3dxz h HIS 187 Cb 0.50 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.28 3dxz h HIS 187 CO 0.03 0.39 0.24 0.52 -1.30 0.00 0.00 177.93 177.82 3dxz h MET 188 N 0.22 0.42 -0.65 5.26 2.86 -0.14 -0.42 114.93 122.48 3dxz h MET 188 Ca 0.08 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3dxz h MET 188 Cb 0.19 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3dxz h MET 188 CO -0.01 0.28 0.27 1.25 1.06 0.00 0.00 176.91 179.76 3dxz h LEU 189 N 0.43 0.89 -0.22 1.22 5.85 -0.86 -0.68 115.31 121.94 3dxz h LEU 189 Ca 0.31 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3dxz h LEU 189 Cb 0.36 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3dxz h LEU 189 CO -0.29 0.81 0.08 -0.08 -0.34 0.00 0.00 178.44 178.62 3dxz h GLU 190 N 0.91 0.32 0.11 1.25 4.81 -0.69 -0.50 114.58 120.80 3dxz h GLU 190 Ca 0.22 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3dxz h GLU 190 Cb 0.19 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3dxz h GLU 190 CO -0.02 0.38 -0.21 0.28 -0.73 0.00 0.00 179.01 178.71 3dxz h VAL 191 N 0.19 0.53 -0.34 0.32 2.07 -0.88 -2.72 116.25 115.43 3dxz h VAL 191 Ca 0.07 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 3dxz h VAL 191 Cb 0.18 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3dxz h VAL 191 CO -0.01 0.00 -0.25 0.24 0.02 0.00 0.00 177.57 177.58 3dxz h MET 192 N -0.40 0.67 0.00 1.57 2.86 -1.03 -2.57 114.93 116.02 3dxz h MET 192 Ca 0.03 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3dxz h MET 192 Cb 0.42 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3dxz h MET 192 CO -0.12 0.85 0.00 0.66 1.06 0.00 0.00 176.91 179.36 3dxz h SER 193 N 0.58 0.00 0.64 1.22 4.64 -1.03 -2.95 113.55 116.65 3dxz h SER 193 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3dxz h SER 193 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3dxz h SER 193 CO 0.06 0.00 -0.26 -1.54 -0.87 0.00 0.00 176.83 174.21 3dxz n SER 194 N -2.65 0.35 -4.46 4.97 3.41 -0.97 -4.84 113.62 109.42 3dxz n SER 194 Ca 0.02 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.17 3dxz n SER 194 Cb 0.29 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 3dxz n SER 194 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dxz s ILE 195 N -2.90 4.87 0.23 -1.33 1.01 -1.11 -5.06 121.20 116.90 3dxz s ILE 195 Ca 0.15 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 3dxz s ILE 195 Cb 0.18 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 3dxz s ILE 195 CO 0.60 -0.02 1.59 -0.62 0.00 0.00 0.00 174.94 176.50 3dxz s ASP 196 N 1.65 6.48 0.00 3.58 2.15 -1.26 -2.58 116.67 126.69 3dxz s ASP 196 Ca 0.05 2.80 0.00 0.00 0.43 0.00 0.00 52.55 55.82 3dxz s ASP 196 Cb -0.18 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 3dxz s ASP 196 CO 0.08 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 3dxz n GLY 197 N 3.04 0.41 3.57 2.66 0.00 -1.26 -4.89 105.19 108.72 3dxz n GLY 197 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3dxz n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxz s TYR 198 N -2.00 3.14 -0.17 1.61 2.02 -1.06 -0.34 117.35 120.54 3dxz s TYR 198 Ca 0.00 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3dxz s TYR 198 Cb 0.00 -2.01 -0.00 0.00 -0.40 0.00 0.00 41.96 39.55 3dxz s TYR 198 CO 0.00 0.08 -0.12 0.21 -1.57 0.00 0.00 175.55 174.15 3dxz s LYS 199 N 0.29 3.28 0.08 -0.62 2.20 0.31 -4.93 119.74 120.35 3dxz s LYS 199 Ca 0.00 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.60 3dxz s LYS 199 Cb -0.13 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.38 3dxz s LYS 199 CO 0.02 -0.03 1.43 1.21 -0.36 0.00 0.00 175.35 177.61 3dxz s ASN 200 N 0.96 6.80 0.00 1.43 3.84 -1.26 -0.76 114.94 125.95 3dxz s ASN 200 Ca -0.02 2.30 0.28 0.00 0.21 0.00 0.00 52.86 55.63 3dxz s ASN 200 Cb -0.15 -2.58 1.14 0.00 -0.55 0.00 0.00 41.25 39.11 3dxz s ASN 200 CO -0.01 -0.70 1.81 0.18 -2.79 0.00 0.00 177.10 175.58 3dxz n LEU 201 N 4.49 0.52 -4.71 3.21 4.77 -0.34 -4.88 117.00 120.06 3dxz n LEU 201 Ca 0.12 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3dxz n LEU 201 Cb 0.42 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3dxz n LEU 201 CO 0.59 0.10 1.07 -0.55 -1.33 0.00 0.00 177.39 177.27 3dxz s SER 202 N -2.52 6.83 0.52 -1.43 0.15 -1.26 -4.91 113.70 111.08 3dxz s SER 202 Ca 0.27 2.29 0.34 0.00 0.70 0.00 0.00 55.95 59.55 3dxz s SER 202 Cb 0.20 -2.58 1.47 0.00 -1.71 0.00 0.00 66.02 63.39 3dxz s SER 202 CO 0.49 -0.66 2.00 -0.33 1.20 0.00 0.00 173.24 175.94 3dxz h GLU 203 N 6.96 0.00 -0.38 5.44 5.08 -1.90 -2.45 114.58 127.33 3dxz h GLU 203 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3dxz h GLU 203 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dxz h GLU 203 CO 0.87 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.75 3dxz n SER 204 N -2.94 3.99 -1.76 1.42 3.41 -1.26 -4.97 113.62 111.51 3dxz n SER 204 Ca 0.00 -2.65 -0.20 0.00 -0.26 0.00 0.00 58.87 55.75 3dxz n SER 204 Cb 0.25 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 3dxz n SER 204 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dxz n ASN 205 N 0.15 -5.56 0.00 4.04 3.02 -0.92 -4.79 115.26 111.20 3dxz n ASN 205 Ca 0.20 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 3dxz n ASN 205 Cb 0.81 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 3dxz n ASN 205 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dxz n ASP 206 N -1.46 0.00 -4.53 6.41 5.68 -1.26 -5.02 116.55 116.37 3dxz n ASP 206 Ca -0.21 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 53.84 3dxz n ASP 206 Cb 0.68 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.57 3dxz n ASP 206 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3dxz s TYR 207 N -0.24 2.44 0.23 2.11 2.02 -1.26 -4.79 117.35 117.85 3dxz s TYR 207 Ca 0.00 -0.29 0.11 0.00 -0.37 0.00 0.00 57.07 56.52 3dxz s TYR 207 Cb 0.00 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.45 3dxz s TYR 207 CO 0.00 0.68 -0.17 0.14 -1.57 0.00 0.00 175.55 174.64 3dxz s VAL 208 N -2.44 2.71 0.68 0.71 -7.23 -0.15 -4.57 120.40 110.10 3dxz s VAL 208 Ca 0.30 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 3dxz s VAL 208 Cb -0.06 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.53 3dxz s VAL 208 CO 0.17 -0.24 1.15 -2.16 -0.31 0.00 0.00 175.10 173.71 3dxz s PRO 209 N -3.09 2.60 0.05 4.82 0.04 -1.26 -4.16 135.00 133.99 3dxz s PRO 209 Ca 0.26 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.53 3dxz s PRO 209 Cb -0.07 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3dxz s PRO 209 CO 0.14 -1.44 1.87 -2.13 0.04 0.00 0.00 177.00 175.49 3dxz n ARG 210 N -2.43 2.62 -2.19 4.56 0.63 -1.26 -4.96 116.66 113.63 3dxz n ARG 210 Ca 0.12 0.96 -0.27 0.00 -0.92 0.00 0.00 57.85 57.73 3dxz n ARG 210 Cb 0.51 -2.85 0.05 0.00 0.45 0.00 0.00 32.46 30.63 3dxz n ARG 210 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3dxz s PRO 211 N 3.48 2.54 0.57 -0.14 0.04 -1.26 -4.96 135.00 135.27 3dxz s PRO 211 Ca 0.87 -0.01 0.27 0.00 0.04 0.00 0.00 61.00 62.17 3dxz s PRO 211 Cb -0.53 -2.16 1.58 0.00 0.04 0.00 0.00 34.50 33.42 3dxz s PRO 211 CO 0.42 -1.05 2.08 0.00 0.04 0.00 0.00 177.00 178.50 3dxz h ALA 212 N -0.50 1.94 0.00 8.56 0.00 -2.03 -2.36 119.26 124.86 3dxz h ALA 212 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dxz h ALA 212 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dxz h ALA 212 CO 0.62 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 3dxz n SER 213 N -3.96 0.00 -4.08 0.00 3.41 -1.26 -4.61 113.62 103.11 3dxz n SER 213 Ca 0.03 -0.56 -0.28 0.00 -0.26 0.00 0.00 58.87 57.79 3dxz n SER 213 Cb 0.36 -0.09 -0.17 0.00 -0.26 0.00 0.00 64.21 64.05 3dxz n SER 213 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3dxz s ARG 214 N -2.19 2.22 0.52 4.33 3.52 -0.89 -4.98 118.95 121.48 3dxz s ARG 214 Ca 0.34 -0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 55.17 3dxz s ARG 214 Cb 0.17 -1.81 -0.07 0.00 -1.56 0.00 0.00 34.95 31.69 3dxz s ARG 214 CO 0.32 0.03 1.02 -2.14 -0.81 0.00 0.00 175.30 173.72 3dxz s PRO 215 N 0.72 3.74 0.51 5.12 0.02 -1.26 -4.76 135.00 139.09 3dxz s PRO 215 Ca -0.12 1.19 -0.23 0.00 0.02 0.00 0.00 61.00 61.86 3dxz s PRO 215 Cb -0.16 -2.10 -0.06 0.00 0.02 0.00 0.00 34.50 32.20 3dxz s PRO 215 CO 0.03 -0.46 1.32 0.08 -0.33 0.00 0.00 177.00 177.64 3dxz s VAL 216 N -2.29 2.35 0.65 3.83 1.01 -1.26 -5.03 120.40 119.66 3dxz s VAL 216 Ca 0.64 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 3dxz s VAL 216 Cb -0.14 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3dxz s VAL 216 CO 0.27 0.00 1.00 0.42 0.00 0.00 0.00 175.10 176.79 3dxz s THR 217 N -1.35 3.49 0.56 3.92 -4.23 -1.26 -4.97 115.64 111.80 3dxz s THR 217 Ca 0.68 0.21 0.24 0.00 -1.18 0.00 0.00 61.69 61.64 3dxz s THR 217 Cb -0.38 -3.44 0.33 0.00 1.34 0.00 0.00 72.50 70.36 3dxz s THR 217 CO 0.46 -0.51 2.15 0.07 -0.54 0.00 0.00 174.62 176.24 3dxz h LYS 218 N -0.43 0.00 -0.02 3.99 2.10 -2.07 -2.48 116.57 117.66 3dxz h LYS 218 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3dxz h LYS 218 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3dxz h LYS 218 CO 0.62 0.00 -0.05 1.19 -2.00 0.00 0.00 179.45 179.21 3dxz n PHE 219 N -4.14 0.00 -2.68 0.07 3.01 -1.26 -5.34 117.46 107.11 3dxz n PHE 219 Ca -0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 3dxz n PHE 219 Cb 0.21 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 3dxz n PHE 219 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3dxz s GLU 220 N -1.40 4.80 0.00 -1.08 2.12 -0.94 -5.11 118.70 117.09 3dxz s GLU 220 Ca 0.18 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.07 3dxz s GLU 220 Cb 0.13 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.26 3dxz s GLU 220 CO 0.23 0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 3dxz n GLY 227 N 1.44 0.00 0.38 -1.50 0.00 -1.26 -4.76 105.19 99.49 3dxz n GLY 227 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3dxz n GLY 227 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dxz n HIS 228 N 0.00 0.29 -0.60 1.61 -0.00 -1.26 -4.99 115.22 110.26 3dxz n HIS 228 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 57.72 57.18 3dxz n HIS 228 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 3dxz n HIS 228 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dxz n GLY 229 N -0.03 0.72 3.11 -1.39 0.00 -1.26 -5.04 105.19 101.30 3dxz n GLY 229 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3dxz n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxz s VAL 230 N -2.21 1.27 -0.18 1.61 1.01 -1.26 -4.44 120.40 116.20 3dxz s VAL 230 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3dxz s VAL 230 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3dxz s VAL 230 CO 0.00 0.37 -0.07 0.26 0.00 0.00 0.00 175.10 175.66 3dxz s TRP 231 N -0.06 2.93 -0.14 5.22 0.51 0.60 -4.98 118.94 123.02 3dxz s TRP 231 Ca -0.01 -0.72 -0.05 0.00 -2.12 0.00 0.00 56.10 53.20 3dxz s TRP 231 Cb -0.09 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.53 3dxz s TRP 231 CO 0.01 -0.35 0.03 -0.51 -0.51 0.00 0.00 176.95 175.62 3dxz s ASP 232 N 0.93 5.42 -0.06 2.95 1.11 -1.26 -1.04 116.67 124.72 3dxz s ASP 232 Ca -0.01 0.10 0.05 0.00 0.18 0.00 0.00 52.55 52.88 3dxz s ASP 232 Cb -0.15 -1.77 -0.01 0.00 1.07 0.00 0.00 42.92 42.06 3dxz s ASP 232 CO 0.01 0.27 -0.22 -0.76 1.18 0.00 0.00 175.17 175.65 3dxz s LEU 233 N -0.21 2.00 -0.09 1.23 1.02 0.28 -0.98 118.68 121.94 3dxz s LEU 233 Ca 0.06 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 53.74 3dxz s LEU 233 Cb -0.12 -1.21 0.03 0.00 0.02 0.00 0.00 46.19 44.91 3dxz s LEU 233 CO 0.02 0.19 0.01 -0.32 0.02 0.00 0.00 176.35 176.27 3dxz s MET 234 N 0.00 0.53 -0.06 1.70 1.75 -1.26 -1.01 119.30 120.96 3dxz s MET 234 Ca -0.06 0.06 0.05 0.00 -1.25 0.00 0.00 55.69 54.49 3dxz s MET 234 Cb -0.14 -1.10 -0.01 0.00 2.84 0.00 0.00 34.83 36.43 3dxz s MET 234 CO 0.04 -0.36 -0.21 -0.06 -0.65 0.00 0.00 175.02 173.78 3dxz s PHE 235 N 1.98 2.10 0.04 4.11 0.08 -0.64 -1.19 117.98 124.45 3dxz s PHE 235 Ca 0.04 -0.65 -0.07 0.00 0.12 0.00 0.00 56.93 56.37 3dxz s PHE 235 Cb -0.13 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 40.87 3dxz s PHE 235 CO -0.06 -0.22 0.32 -1.83 -0.10 0.00 0.00 175.22 173.34 3dxz s GLU 236 N 0.01 3.65 -0.07 0.44 -1.05 0.06 -1.00 118.70 120.73 3dxz s GLU 236 Ca -0.06 0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 3dxz s GLU 236 Cb -0.13 -3.03 -0.02 0.00 -0.44 0.00 0.00 34.13 30.51 3dxz s GLU 236 CO 0.04 0.60 1.00 0.50 0.95 0.00 0.00 175.26 178.35 3dxz s ARG 237 N -1.90 4.46 0.25 -4.83 3.52 0.11 -0.53 118.95 120.03 3dxz s ARG 237 Ca 0.31 1.40 0.07 0.00 -0.13 0.00 0.00 55.73 57.38 3dxz s ARG 237 Cb -0.13 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 3dxz s ARG 237 CO 0.18 -0.24 -0.10 0.14 -0.81 0.00 0.00 175.30 174.47 3dxz s VAL 238 N 1.72 1.74 0.51 7.11 -7.23 0.53 -0.60 120.40 124.18 3dxz s VAL 238 Ca 0.49 -2.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 3dxz s VAL 238 Cb -0.19 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.40 3dxz s VAL 238 CO 0.21 -0.42 1.34 -0.54 -0.31 0.00 0.00 175.10 175.38 3dxz s LYS 239 N -3.68 3.36 0.30 4.82 1.02 -1.26 -4.44 119.74 119.86 3dxz s LYS 239 Ca 0.27 2.20 -0.29 0.00 0.02 0.00 0.00 55.97 58.16 3dxz s LYS 239 Cb 0.01 -2.37 -0.13 0.00 -0.52 0.00 0.00 37.83 34.83 3dxz s LYS 239 CO 0.10 -1.01 1.36 1.28 -0.92 0.00 0.00 175.35 176.16 3dxz n LEU 240 N -0.76 3.47 -0.36 3.17 4.77 -1.26 -4.58 117.00 121.45 3dxz n LEU 240 Ca 0.09 1.18 0.14 0.00 -0.03 0.00 0.00 56.01 57.39 3dxz n LEU 240 Cb 0.45 -1.47 0.63 0.00 -2.33 0.00 0.00 43.42 40.69 3dxz n LEU 240 CO 0.53 -0.43 0.93 -0.62 -1.33 0.00 0.00 177.39 176.47