#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj h LEU 2 N 0.00 0.00 -2.01 -0.89 5.85 -2.08 -3.11 115.31 113.07 3dxj h LEU 2 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 3dxj h LEU 2 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3dxj h LEU 2 CO 0.00 0.00 0.42 -2.24 -0.34 0.00 0.00 178.44 176.28 3dxj h ASP 3 N 0.00 0.00 -3.43 1.25 2.03 -2.11 -3.45 116.42 110.70 3dxj h ASP 3 Ca 0.03 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.13 3dxj h ASP 3 Cb 0.11 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.57 3dxj h ASP 3 CO -0.00 0.00 -0.16 -1.20 -1.03 0.00 0.00 179.24 176.85 3dxj n SER 4 N -4.12 1.56 -2.87 4.15 7.64 -1.18 -5.07 113.62 113.73 3dxj n SER 4 Ca 0.10 -1.74 -0.31 0.00 1.01 0.00 0.00 58.87 57.92 3dxj n SER 4 Cb 0.63 0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 64.10 3dxj n SER 4 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dxj n LYS 5 N -0.35 3.56 0.15 1.43 4.76 -1.26 -4.80 118.16 121.65 3dxj n LYS 5 Ca -0.04 -4.50 0.04 0.00 -2.87 0.00 0.00 58.31 50.94 3dxj n LYS 5 Cb 0.21 -2.28 0.21 0.00 -1.84 0.00 0.00 35.03 31.33 3dxj n LYS 5 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dxj n LEU 6 N -0.35 0.20 -3.43 -0.35 4.77 -1.26 -2.95 117.00 113.64 3dxj n LEU 6 Ca 0.40 0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 56.47 3dxj n LEU 6 Cb 0.44 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3dxj n LEU 6 CO 0.39 -0.50 2.02 0.29 -1.33 0.00 0.00 177.39 178.26 3dxj n LYS 7 N -1.88 1.37 -1.54 3.23 5.02 -1.26 -4.84 118.16 118.26 3dxj n LYS 7 Ca -0.01 -1.53 -0.38 0.00 -2.02 0.00 0.00 58.31 54.38 3dxj n LYS 7 Cb 0.45 -2.66 -0.05 0.00 -0.02 0.00 0.00 35.03 32.75 3dxj n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 8 N 6.51 0.78 -0.38 7.82 0.00 -1.15 -4.66 120.51 129.44 3dxj n ALA 8 Ca 0.44 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 3dxj n ALA 8 Cb 0.29 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.74 3dxj n ALA 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dxj n PRO 9 N 8.85 0.00 -2.42 0.00 -0.02 -1.26 -4.88 135.00 135.27 3dxj n PRO 9 Ca 0.42 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 3dxj n PRO 9 Cb 0.43 -0.33 -0.03 0.00 -0.02 0.00 0.00 33.50 33.55 3dxj n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dxj s VAL 10 N 0.74 4.17 -0.72 -1.45 -7.23 0.32 -4.73 120.40 111.51 3dxj s VAL 10 Ca 0.24 1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 61.74 3dxj s VAL 10 Cb -0.33 -3.97 0.15 0.00 0.56 0.00 0.00 36.38 32.79 3dxj s VAL 10 CO 0.18 -0.01 0.76 0.12 -0.31 0.00 0.00 175.10 175.84 3dxj s PHE 11 N 2.31 3.31 -0.17 2.82 5.36 -1.26 -1.92 117.98 128.43 3dxj s PHE 11 Ca 0.57 -1.42 -0.09 0.00 -0.96 0.00 0.00 56.93 55.03 3dxj s PHE 11 Cb -0.26 -3.96 -0.05 0.00 -0.34 0.00 0.00 43.02 38.42 3dxj s PHE 11 CO 0.22 -1.18 0.13 0.95 -1.46 0.00 0.00 175.22 173.88 3dxj s THR 12 N 1.68 5.42 0.08 0.12 -4.23 -0.13 -4.96 115.64 113.63 3dxj s THR 12 Ca 0.16 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 3dxj s THR 12 Cb -0.17 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3dxj s THR 12 CO -0.02 0.50 -0.06 0.54 -0.54 0.00 0.00 174.62 175.04 3dxj s VAL 13 N -0.11 0.59 -0.30 2.29 0.11 -1.26 0.14 120.40 121.87 3dxj s VAL 13 Ca 0.10 -1.82 0.01 0.00 -2.93 0.00 0.00 61.98 57.35 3dxj s VAL 13 Cb -0.11 -1.54 0.15 0.00 -1.53 0.00 0.00 36.38 33.35 3dxj s VAL 13 CO 0.00 -0.84 0.37 0.00 -3.33 0.00 0.00 175.10 171.30 3dxj s ARG 14 N -3.60 0.40 0.16 1.54 1.70 -0.90 -5.00 118.95 113.25 3dxj s ARG 14 Ca 0.09 -0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 55.11 3dxj s ARG 14 Cb 0.04 -0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 33.89 3dxj s ARG 14 CO -0.05 -1.05 0.64 -0.08 -1.08 0.00 0.00 175.30 173.68 3dxj s THR 15 N 2.39 4.68 -0.39 4.99 -1.32 -1.26 -3.43 115.64 121.28 3dxj s THR 15 Ca 0.10 1.17 0.03 0.00 -1.21 0.00 0.00 61.69 61.78 3dxj s THR 15 Cb -0.13 -3.85 0.16 0.00 -1.51 0.00 0.00 72.50 67.17 3dxj s THR 15 CO -0.29 0.33 0.35 -1.58 -2.21 0.00 0.00 174.62 171.21 3dxj s GLN 16 N -1.70 0.75 0.00 7.08 0.74 -1.22 -5.05 119.66 120.26 3dxj s GLN 16 Ca 0.38 -1.49 0.00 0.00 0.05 0.00 0.00 55.36 54.30 3dxj s GLN 16 Cb -0.17 -1.08 0.00 0.00 1.10 0.00 0.00 33.01 32.85 3dxj s GLN 16 CO 0.20 -1.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.07 3dxj n GLY 17 N 3.53 2.54 0.19 2.59 0.00 -1.26 -4.33 105.19 108.46 3dxj n GLY 17 Ca 0.19 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.42 3dxj n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 18 N 0.96 1.02 -0.00 1.61 1.74 -1.26 -3.65 116.66 117.08 3dxj n ARG 18 Ca 0.00 -0.38 0.04 0.00 -0.77 0.00 0.00 57.85 56.74 3dxj n ARG 18 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 3dxj n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dxj n GLU 19 N -0.66 3.73 -3.91 5.56 1.02 -1.26 -3.47 120.64 121.65 3dxj n GLU 19 Ca 0.18 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 3dxj n GLU 19 Cb 0.26 -0.95 -0.11 0.00 -0.02 0.00 0.00 31.44 30.62 3dxj n GLU 19 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3dxj s TYR 20 N -1.92 0.10 -0.28 -0.32 5.04 -1.24 0.24 117.35 118.97 3dxj s TYR 20 Ca 0.03 -0.21 -0.20 0.00 -2.44 0.00 0.00 57.07 54.25 3dxj s TYR 20 Cb 0.07 -0.09 0.10 0.00 0.35 0.00 0.00 41.96 42.39 3dxj s TYR 20 CO 0.38 -0.18 0.83 0.20 -1.34 0.00 0.00 175.55 175.45 3dxj s GLY 21 N -1.03 -0.37 -0.26 8.97 0.00 0.08 -3.41 107.32 111.29 3dxj s GLY 21 Ca -0.11 2.54 -0.06 0.00 0.00 0.00 0.00 44.72 47.09 3dxj s GLY 21 CO 0.00 2.17 0.04 -0.54 0.00 0.00 0.00 173.10 174.77 3dxj s GLU 22 N 0.97 3.29 -0.14 2.90 2.02 -1.22 -0.29 118.70 126.23 3dxj s GLU 22 Ca -0.05 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 3dxj s GLU 22 Cb -0.05 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3dxj s GLU 22 CO -0.11 -0.31 -0.12 -0.06 0.02 0.00 0.00 175.26 174.68 3dxj s PHE 23 N 1.51 2.84 0.19 1.61 0.40 0.79 -2.13 117.98 123.19 3dxj s PHE 23 Ca 0.04 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 55.76 3dxj s PHE 23 Cb -0.16 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 3dxj s PHE 23 CO 0.01 -0.26 -0.05 0.08 0.70 0.00 0.00 175.22 175.70 3dxj s VAL 24 N 0.50 3.43 -0.24 -0.44 1.01 0.38 0.23 120.40 125.26 3dxj s VAL 24 Ca -0.08 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 3dxj s VAL 24 Cb -0.16 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.59 3dxj s VAL 24 CO 0.04 -0.15 0.56 -0.22 0.00 0.00 0.00 175.10 175.33 3dxj s LEU 25 N -2.99 -0.76 0.00 3.92 2.96 -1.08 -0.96 118.68 119.78 3dxj s LEU 25 Ca 0.27 1.28 -0.29 0.00 -0.22 0.00 0.00 54.13 55.16 3dxj s LEU 25 Cb -0.09 1.90 0.10 0.00 0.50 0.00 0.00 46.19 48.61 3dxj s LEU 25 CO 0.17 -0.22 1.10 -1.83 -1.32 0.00 0.00 176.35 174.24 3dxj s GLU 26 N 2.19 0.70 0.86 1.98 -1.05 -0.81 -3.21 118.70 119.37 3dxj s GLU 26 Ca -0.07 -0.35 -0.12 0.00 -0.15 0.00 0.00 54.97 54.29 3dxj s GLU 26 Cb -0.09 0.27 0.11 0.00 -0.44 0.00 0.00 34.13 33.97 3dxj s GLU 26 CO -0.16 -0.32 1.13 -1.25 0.95 0.00 0.00 175.26 175.61 3dxj s PRO 27 N -2.82 1.57 0.04 -4.83 0.04 -1.26 0.12 135.00 127.86 3dxj s PRO 27 Ca 0.11 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.53 3dxj s PRO 27 Cb 0.01 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 3dxj s PRO 27 CO -0.03 -1.92 -0.05 -1.17 0.04 0.00 0.00 177.00 173.86 3dxj s LEU 28 N -5.88 2.31 0.28 -3.56 0.20 -0.58 -4.34 118.68 107.11 3dxj s LEU 28 Ca 0.62 -0.64 -0.24 0.00 0.69 0.00 0.00 54.13 54.57 3dxj s LEU 28 Cb -0.14 -0.02 -0.09 0.00 -0.43 0.00 0.00 46.19 45.51 3dxj s LEU 28 CO 0.53 -0.31 0.86 -0.70 -0.29 0.00 0.00 176.35 176.43 3dxj s GLU 29 N -2.07 4.47 -0.10 1.98 2.56 -1.26 0.16 118.70 124.44 3dxj s GLU 29 Ca -0.08 1.16 -0.26 0.00 0.00 0.00 0.00 54.97 55.79 3dxj s GLU 29 Cb -0.06 -2.86 -0.12 0.00 2.00 0.00 0.00 34.13 33.08 3dxj s GLU 29 CO -0.02 0.34 0.77 -2.13 -0.56 0.00 0.00 175.26 173.66 3dxj n ARG 30 N 0.69 0.00 -0.57 4.30 0.63 -1.26 -1.09 116.66 119.35 3dxj n ARG 30 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dxj n ARG 30 Cb 0.50 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.49 3dxj n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dxj n GLY 31 N 1.42 1.42 0.10 5.14 0.00 -1.26 -4.87 105.19 107.14 3dxj n GLY 31 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3dxj n GLY 31 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dxj h PHE 32 N 0.00 0.00 -0.76 1.61 -1.00 -1.48 0.15 116.94 115.46 3dxj h PHE 32 Ca 0.00 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.91 3dxj h PHE 32 Cb 0.00 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 3dxj h PHE 32 CO 0.00 0.72 0.50 0.78 -1.61 0.00 0.00 178.31 178.70 3dxj h GLY 33 N 3.43 0.83 0.00 -1.45 0.00 -1.90 0.52 103.07 104.50 3dxj h GLY 33 Ca -0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3dxj h GLY 33 CO 0.08 0.09 -0.36 -2.08 0.00 0.00 0.00 176.54 174.27 3dxj h VAL 34 N 0.52 0.96 -0.20 4.60 2.07 -1.93 0.28 116.25 122.54 3dxj h VAL 34 Ca 0.37 -1.84 0.06 0.00 0.82 0.00 0.00 66.70 66.11 3dxj h VAL 34 Cb 0.70 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3dxj h VAL 34 CO -0.13 0.32 0.85 0.74 0.02 0.00 0.00 177.57 179.38 3dxj h THR 35 N -1.00 0.02 0.00 2.57 2.02 0.14 -2.22 112.91 114.45 3dxj h THR 35 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3dxj h THR 35 Cb 0.79 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3dxj h THR 35 CO -0.05 0.00 -0.23 0.18 0.37 0.00 0.00 175.52 175.79 3dxj n LEU 36 N -2.79 0.50 0.00 2.58 4.77 0.18 -4.70 117.00 117.54 3dxj n LEU 36 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3dxj n LEU 36 Cb 0.93 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3dxj n LEU 36 CO 0.09 -0.46 0.02 0.61 -1.33 0.00 0.00 177.39 176.32 3dxj n GLY 37 N 1.82 -0.33 0.00 -0.72 0.00 0.97 -2.42 105.19 104.50 3dxj n GLY 37 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dxj n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dxj n ASN 38 N -0.10 0.00 0.05 1.61 5.15 -1.17 -0.77 115.26 120.03 3dxj n ASN 38 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 3dxj n ASN 38 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 3dxj n ASN 38 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3dxj h PRO 39 N 0.00 -0.35 -0.59 1.20 0.11 -1.69 -2.24 132.00 128.44 3dxj h PRO 39 Ca 0.00 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.25 3dxj h PRO 39 Cb 0.00 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.08 3dxj h PRO 39 CO 0.00 -0.23 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.32 3dxj h LEU 40 N -0.36 -0.62 -0.88 2.35 3.38 -0.75 -1.17 115.31 117.25 3dxj h LEU 40 Ca 0.00 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3dxj h LEU 40 Cb 0.37 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 3dxj h LEU 40 CO -0.16 -0.21 -0.54 -0.09 0.09 0.00 0.00 178.44 177.53 3dxj h ARG 41 N -0.03 -0.02 -0.80 1.13 2.43 -1.05 0.14 114.38 116.18 3dxj h ARG 41 Ca 0.28 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.53 3dxj h ARG 41 Cb 0.45 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.90 3dxj h ARG 41 CO -0.62 -0.01 -0.56 0.00 -1.51 0.00 0.00 179.97 177.26 3dxj h ARG 42 N -0.02 -0.11 -0.19 0.20 3.08 -0.63 -1.11 114.38 115.59 3dxj h ARG 42 Ca 0.14 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.24 3dxj h ARG 42 Cb 0.38 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 3dxj h ARG 42 CO -0.84 -0.07 -0.53 0.82 -1.07 0.00 0.00 179.97 178.28 3dxj h ILE 43 N -0.12 0.02 -0.98 2.04 2.04 -0.54 -1.80 117.51 118.17 3dxj h ILE 43 Ca 0.13 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.33 3dxj h ILE 43 Cb 0.45 0.02 -0.18 0.00 -0.74 0.00 0.00 36.82 36.37 3dxj h ILE 43 CO -0.81 0.00 0.27 0.18 0.00 0.00 0.00 178.15 177.78 3dxj n LEU 44 N -5.43 0.11 -1.42 1.44 4.77 -0.02 0.21 117.00 116.66 3dxj n LEU 44 Ca -0.05 1.65 0.08 0.00 -0.03 0.00 0.00 56.01 57.65 3dxj n LEU 44 Cb 0.37 -0.70 0.31 0.00 -2.33 0.00 0.00 43.42 41.07 3dxj n LEU 44 CO 0.07 -1.75 0.76 0.18 -1.33 0.00 0.00 177.39 175.32 3dxj n LEU 45 N -5.34 4.19 0.00 2.23 4.77 -0.75 -4.62 117.00 117.48 3dxj n LEU 45 Ca 0.30 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 3dxj n LEU 45 Cb 1.00 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dxj n LEU 45 CO -0.03 0.71 -0.10 -1.54 -1.33 0.00 0.00 177.39 175.09 3dxj n SER 46 N 0.94 0.39 -3.06 -1.43 3.41 0.56 -4.75 113.62 109.69 3dxj n SER 46 Ca 0.22 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.56 3dxj n SER 46 Cb 0.79 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 3dxj n SER 46 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dxj n SER 47 N -2.16 4.29 -3.78 4.04 7.64 0.26 -3.87 113.62 120.04 3dxj n SER 47 Ca 0.00 -3.62 -0.23 0.00 1.01 0.00 0.00 58.87 56.03 3dxj n SER 47 Cb 0.10 -0.59 -0.17 0.00 -1.01 0.00 0.00 64.21 62.54 3dxj n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dxj s ILE 48 N -3.95 0.42 0.51 0.44 1.09 -1.26 -4.92 121.20 113.52 3dxj s ILE 48 Ca 0.47 0.09 -0.19 0.00 -1.10 0.00 0.00 60.65 59.92 3dxj s ILE 48 Cb 0.25 -0.56 -0.13 0.00 -1.06 0.00 0.00 42.46 40.96 3dxj s ILE 48 CO -0.11 0.26 0.17 -0.81 -0.10 0.00 0.00 174.94 174.35 3dxj n PRO 49 N 5.10 0.22 0.00 2.79 -0.04 -1.26 -3.99 135.00 137.82 3dxj n PRO 49 Ca -0.08 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3dxj n PRO 49 Cb 0.50 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3dxj n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dxj n GLY 50 N 2.19 1.52 3.86 0.55 0.00 0.93 -4.23 105.19 110.01 3dxj n GLY 50 Ca 0.10 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 3dxj n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dxj s THR 51 N -2.00 4.69 -0.29 2.61 -4.23 -1.25 0.01 115.64 115.19 3dxj s THR 51 Ca 0.00 -1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 59.18 3dxj s THR 51 Cb 0.00 -3.49 0.15 0.00 1.34 0.00 0.00 72.50 70.50 3dxj s THR 51 CO 0.00 -0.26 0.97 0.00 -0.54 0.00 0.00 174.62 174.79 3dxj s ALA 52 N -1.97 -2.37 0.10 3.99 0.00 -1.07 -4.04 121.76 116.41 3dxj s ALA 52 Ca 0.33 2.17 -0.36 0.00 0.00 0.00 0.00 51.96 54.11 3dxj s ALA 52 Cb -0.09 -1.79 -0.17 0.00 0.00 0.00 0.00 23.12 21.07 3dxj s ALA 52 CO 0.26 -0.49 1.18 0.28 0.00 0.00 0.00 175.76 176.99 3dxj n VAL 53 N 4.01 0.40 -0.03 0.00 0.31 -1.26 -3.25 118.33 118.50 3dxj n VAL 53 Ca -0.16 -0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.04 3dxj n VAL 53 Cb 0.56 -0.61 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 3dxj n VAL 53 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3dxj n THR 54 N 1.84 0.68 -3.72 2.52 -1.04 -0.81 -4.35 114.28 109.41 3dxj n THR 54 Ca 0.18 0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 62.42 3dxj n THR 54 Cb 0.19 -1.93 -0.07 0.00 -1.82 0.00 0.00 70.33 66.69 3dxj n THR 54 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3dxj s SER 55 N -4.58 -0.22 0.15 8.00 1.04 -1.08 0.24 113.70 117.24 3dxj s SER 55 Ca -0.07 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.37 3dxj s SER 55 Cb 0.01 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3dxj s SER 55 CO 0.11 -0.58 0.01 -0.69 0.98 0.00 0.00 173.24 173.06 3dxj s VAL 56 N -2.09 0.53 -0.02 5.02 1.01 0.66 -0.92 120.40 124.59 3dxj s VAL 56 Ca -0.08 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.76 3dxj s VAL 56 Cb -0.02 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3dxj s VAL 56 CO -0.00 -0.53 0.41 -0.47 0.00 0.00 0.00 175.10 174.51 3dxj s TYR 57 N -3.75 -0.30 -0.12 5.22 5.04 -1.17 0.91 117.35 123.18 3dxj s TYR 57 Ca 0.22 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.30 3dxj s TYR 57 Cb 0.06 0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.60 3dxj s TYR 57 CO 0.02 -0.46 0.03 0.42 -1.34 0.00 0.00 175.55 174.22 3dxj s ILE 58 N -1.39 0.32 0.00 3.14 1.01 -1.26 -0.47 121.20 122.55 3dxj s ILE 58 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3dxj s ILE 58 Cb -0.04 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3dxj s ILE 58 CO 0.05 0.05 0.00 1.21 0.00 0.00 0.00 174.94 176.25 3dxj n GLU 59 N 5.15 0.00 -3.66 2.79 2.13 -1.18 -2.09 120.64 123.79 3dxj n GLU 59 Ca -0.07 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.36 3dxj n GLU 59 Cb 0.49 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.11 3dxj n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3dxj s ASP 60 N -1.57 5.49 0.23 4.31 1.01 -1.26 -5.04 116.67 119.83 3dxj s ASP 60 Ca 0.00 -2.25 -0.09 0.00 0.71 0.00 0.00 52.55 50.92 3dxj s ASP 60 Cb 0.00 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 3dxj s ASP 60 CO 0.00 -0.55 0.35 0.68 0.21 0.00 0.00 175.17 175.86 3dxj s VAL 61 N 0.83 0.00 0.00 -1.27 -7.23 -0.89 -5.12 120.40 106.72 3dxj s VAL 61 Ca 0.10 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3dxj s VAL 61 Cb -0.22 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3dxj s VAL 61 CO -0.03 -0.02 0.00 0.18 -0.31 0.00 0.00 175.10 174.92 3dxj n LEU 62 N -0.34 0.00 -4.42 1.32 4.77 -1.26 -4.95 117.00 112.12 3dxj n LEU 62 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3dxj n LEU 62 Cb 0.63 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 3dxj n LEU 62 CO 0.26 0.00 -0.28 -1.38 -1.33 0.00 0.00 177.39 174.66 3dxj s HIS 63 N 0.00 1.89 0.63 -1.77 -3.43 -1.26 -4.88 115.29 106.47 3dxj s HIS 63 Ca 0.00 -0.97 0.38 0.00 -0.80 0.00 0.00 55.06 53.67 3dxj s HIS 63 Cb 0.00 -1.20 2.17 0.00 -1.43 0.00 0.00 32.58 32.12 3dxj s HIS 63 CO 0.00 -0.02 2.32 1.05 -2.00 0.00 0.00 174.74 176.09 3dxj h GLU 64 N 2.18 0.00 -1.05 -0.38 4.11 -1.98 -2.21 114.58 115.25 3dxj h GLU 64 Ca -0.40 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.55 3dxj h GLU 64 Cb 1.24 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.24 3dxj h GLU 64 CO 0.68 0.00 0.61 1.19 0.07 0.00 0.00 179.01 181.56 3dxj n PHE 65 N -3.41 2.62 -2.77 2.06 3.01 -1.26 -2.84 117.46 114.86 3dxj n PHE 65 Ca -0.03 -1.95 -0.21 0.00 1.01 0.00 0.00 57.45 56.27 3dxj n PHE 65 Cb 0.08 -0.98 0.09 0.00 -0.01 0.00 0.00 39.48 38.67 3dxj n PHE 65 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3dxj n SER 66 N -0.77 1.58 -3.49 4.37 7.64 -0.83 -5.02 113.62 117.10 3dxj n SER 66 Ca 0.51 -2.24 -0.22 0.00 1.01 0.00 0.00 58.87 57.93 3dxj n SER 66 Cb 1.23 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 63.83 3dxj n SER 66 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3dxj n THR 67 N -2.56 0.00 -3.82 0.44 5.66 -1.26 -3.16 114.28 109.57 3dxj n THR 67 Ca 0.16 -2.25 -0.12 0.00 -3.05 0.00 0.00 64.05 58.78 3dxj n THR 67 Cb 0.57 0.93 -0.13 0.00 -1.55 0.00 0.00 70.33 70.15 3dxj n THR 67 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3dxj s ILE 68 N -3.10 -0.00 0.15 1.09 -4.36 -1.26 -4.87 121.20 108.85 3dxj s ILE 68 Ca 0.26 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.48 3dxj s ILE 68 Cb 0.01 -0.20 -0.07 0.00 1.25 0.00 0.00 42.46 43.45 3dxj s ILE 68 CO 0.19 0.00 0.60 -2.16 0.24 0.00 0.00 174.94 173.81 3dxj s PRO 69 N 0.09 4.11 0.00 0.37 0.04 -1.26 -3.65 135.00 134.70 3dxj s PRO 69 Ca -0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3dxj s PRO 69 Cb -0.01 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3dxj s PRO 69 CO 0.00 0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.95 3dxj n GLY 70 N 1.02 0.19 2.54 0.56 0.00 -1.26 -4.41 105.19 103.82 3dxj n GLY 70 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 3dxj n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 71 N -1.43 -0.01 0.30 1.61 1.01 -1.24 -1.91 120.40 118.74 3dxj s VAL 71 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.20 3dxj s VAL 71 Cb 0.00 -0.95 0.42 0.00 0.00 0.00 0.00 36.38 35.85 3dxj s VAL 71 CO 0.00 -0.89 1.57 0.50 0.00 0.00 0.00 175.10 176.28 3dxj h LYS 72 N 6.40 0.01 -6.35 2.72 3.11 -1.77 -3.39 116.57 117.30 3dxj h LYS 72 Ca 0.13 -0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.38 3dxj h LYS 72 Cb 0.98 -0.00 0.17 0.00 -1.00 0.00 0.00 32.23 32.38 3dxj h LYS 72 CO 0.26 0.00 -0.57 0.39 -2.81 0.00 0.00 179.45 176.72 3dxj n GLU 73 N -5.51 0.41 -3.73 1.90 -0.58 -1.26 -4.87 120.64 106.99 3dxj n GLU 73 Ca 0.22 0.16 -0.24 0.00 -0.42 0.00 0.00 57.16 56.88 3dxj n GLU 73 Cb 0.73 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 3dxj n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dxj s ASP 74 N -1.08 6.33 0.01 1.62 3.68 -1.26 -4.28 116.67 121.69 3dxj s ASP 74 Ca 0.65 0.27 -0.04 0.00 2.13 0.00 0.00 52.55 55.56 3dxj s ASP 74 Cb -0.50 -1.95 -0.02 0.00 -1.45 0.00 0.00 42.92 39.01 3dxj s ASP 74 CO 0.58 -0.11 1.06 0.58 0.13 0.00 0.00 175.17 177.41 3dxj h VAL 75 N 1.21 0.00 -0.65 1.11 2.07 -1.79 -1.72 116.25 116.48 3dxj h VAL 75 Ca -0.50 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.12 3dxj h VAL 75 Cb 1.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3dxj h VAL 75 CO 0.64 0.00 0.27 0.58 0.02 0.00 0.00 177.57 179.08 3dxj h VAL 76 N -0.08 0.78 -0.22 2.57 2.07 -1.78 -2.50 116.25 117.09 3dxj h VAL 76 Ca -0.00 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3dxj h VAL 76 Cb 0.08 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3dxj h VAL 76 CO -0.03 0.09 -0.18 -0.08 0.02 0.00 0.00 177.57 177.38 3dxj h GLU 77 N 0.47 -0.07 -0.70 1.57 4.57 -1.83 0.35 114.58 118.95 3dxj h GLU 77 Ca 0.33 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.66 3dxj h GLU 77 Cb 0.40 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.88 3dxj h GLU 77 CO -0.30 -0.04 -0.10 0.82 -1.18 0.00 0.00 179.01 178.21 3dxj h ILE 78 N -0.07 0.34 -0.84 2.32 2.04 -1.09 0.43 117.51 120.65 3dxj h ILE 78 Ca 0.04 -0.01 0.20 0.00 1.00 0.00 0.00 64.86 66.08 3dxj h ILE 78 Cb 0.16 0.30 -0.15 0.00 -0.74 0.00 0.00 36.82 36.39 3dxj h ILE 78 CO -0.24 0.01 0.00 0.40 0.00 0.00 0.00 178.15 178.32 3dxj h ILE 79 N 0.04 0.24 0.04 -0.67 2.04 -0.57 0.93 117.51 119.57 3dxj h ILE 79 Ca 0.35 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.19 3dxj h ILE 79 Cb 0.58 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3dxj h ILE 79 CO -0.67 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 177.35 3dxj h LEU 80 N 0.08 -0.20 -1.71 1.44 3.38 0.15 0.09 115.31 118.54 3dxj h LEU 80 Ca 0.47 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.55 3dxj h LEU 80 Cb 0.86 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3dxj h LEU 80 CO -0.75 -0.11 0.55 0.78 0.09 0.00 0.00 178.44 178.99 3dxj h ASN 81 N -0.15 0.00 0.15 -0.43 4.21 0.16 -0.75 115.58 118.78 3dxj h ASN 81 Ca 0.01 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.31 3dxj h ASN 81 Cb 0.16 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.38 3dxj h ASN 81 CO -0.04 0.00 -0.97 -0.07 -1.29 0.00 0.00 177.43 175.05 3dxj h LEU 82 N 0.00 0.51 -1.99 1.61 3.38 0.87 -3.15 115.31 116.54 3dxj h LEU 82 Ca 0.15 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3dxj h LEU 82 Cb 1.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dxj h LEU 82 CO -0.00 1.46 0.12 0.11 0.09 0.00 0.00 178.44 180.22 3dxj h LYS 83 N -0.30 0.00 0.00 1.13 1.57 -0.68 1.10 116.57 119.39 3dxj h LYS 83 Ca -0.18 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 3dxj h LYS 83 Cb 1.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 3dxj h LYS 83 CO 0.16 0.00 -0.34 0.93 -0.57 0.00 0.00 179.45 179.63 3dxj h GLU 84 N 0.00 0.00 -6.66 3.15 4.39 -1.48 -3.47 114.58 110.51 3dxj h GLU 84 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 3dxj h GLU 84 Cb 0.24 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.02 3dxj h GLU 84 CO 0.00 0.34 0.20 -0.11 -1.16 0.00 0.00 179.01 178.27 3dxj n LEU 85 N -3.25 2.77 -3.73 1.33 7.94 0.38 -5.02 117.00 117.42 3dxj n LEU 85 Ca 0.02 1.04 -0.13 0.00 -1.11 0.00 0.00 56.01 55.82 3dxj n LEU 85 Cb 0.61 -1.37 -0.14 0.00 0.53 0.00 0.00 43.42 43.05 3dxj n LEU 85 CO 0.37 -1.40 -0.17 0.54 -1.11 0.00 0.00 177.39 175.62 3dxj s VAL 86 N -1.27 -0.08 0.00 1.96 0.11 -1.26 -4.85 120.40 115.01 3dxj s VAL 86 Ca 0.63 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 3dxj s VAL 86 Cb -0.55 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3dxj s VAL 86 CO 0.57 0.08 0.00 1.33 -3.33 0.00 0.00 175.10 173.74 3dxj n VAL 87 N 4.37 0.00 -3.74 2.04 0.24 -1.26 -0.52 118.33 119.46 3dxj n VAL 87 Ca -0.23 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 3dxj n VAL 87 Cb 0.52 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 3dxj n VAL 87 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dxj s ARG 88 N 0.56 0.53 -0.86 7.34 0.52 0.85 -4.77 118.95 123.13 3dxj s ARG 88 Ca 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 3dxj s ARG 88 Cb 0.00 0.25 0.25 0.00 0.52 0.00 0.00 34.95 35.97 3dxj s ARG 88 CO 0.00 -0.10 0.94 1.19 0.02 0.00 0.00 175.30 177.35 3dxj n PHE 89 N 2.34 3.53 0.07 -0.53 3.01 -1.26 -2.08 117.46 122.55 3dxj n PHE 89 Ca -0.16 -3.77 0.20 0.00 1.01 0.00 0.00 57.45 54.74 3dxj n PHE 89 Cb 0.57 -0.97 0.62 0.00 -0.01 0.00 0.00 39.48 39.70 3dxj n PHE 89 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3dxj h LEU 90 N 5.25 0.00 -8.33 4.37 3.38 -0.92 -3.30 115.31 115.76 3dxj h LEU 90 Ca 0.18 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.43 3dxj h LEU 90 Cb 0.71 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.25 3dxj h LEU 90 CO 0.97 0.00 -0.25 0.21 0.09 0.00 0.00 178.44 179.46 3dxj s ASN 91 N -4.49 6.16 0.00 -0.43 3.04 -1.26 -4.91 114.94 113.05 3dxj s ASN 91 Ca -0.03 -1.20 0.01 0.00 0.04 0.00 0.00 52.86 51.68 3dxj s ASN 91 Cb 0.13 -2.21 0.08 0.00 -1.54 0.00 0.00 41.25 37.71 3dxj s ASN 91 CO 0.44 -0.69 0.73 -2.65 -3.04 0.00 0.00 177.10 171.89 3dxj n PRO 92 N 5.43 0.03 0.00 0.43 -0.02 -1.24 -0.01 135.00 139.61 3dxj n PRO 92 Ca -0.11 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 61.64 3dxj n PRO 92 Cb 0.44 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.59 3dxj n PRO 92 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dxj n SER 93 N -1.16 0.98 -4.57 2.55 7.64 -1.26 -4.79 113.62 113.01 3dxj n SER 93 Ca 0.01 -0.78 -0.42 0.00 1.01 0.00 0.00 58.87 58.69 3dxj n SER 93 Cb 0.01 0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 3dxj n SER 93 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dxj s LEU 94 N -2.78 3.31 0.09 -3.43 1.43 0.98 -4.81 118.68 113.48 3dxj s LEU 94 Ca 0.15 -0.15 0.21 0.00 -1.03 0.00 0.00 54.13 53.31 3dxj s LEU 94 Cb 0.18 -2.87 -0.13 0.00 0.03 0.00 0.00 46.19 43.40 3dxj s LEU 94 CO 0.67 -1.66 0.81 0.00 0.23 0.00 0.00 176.35 176.39 3dxj n GLN 95 N 8.90 0.63 -3.51 1.70 1.13 -1.26 -4.78 117.38 120.18 3dxj n GLN 95 Ca 0.06 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 55.10 3dxj n GLN 95 Cb 0.49 -1.74 -0.02 0.00 0.11 0.00 0.00 30.24 29.09 3dxj n GLN 95 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3dxj s THR 96 N -3.25 0.00 0.14 5.09 -1.32 -1.26 -3.06 115.64 111.98 3dxj s THR 96 Ca -0.03 -0.08 -0.24 0.00 -1.21 0.00 0.00 61.69 60.13 3dxj s THR 96 Cb 0.10 -1.10 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 3dxj s THR 96 CO 0.83 0.00 0.65 -0.69 -2.21 0.00 0.00 174.62 173.20 3dxj s VAL 97 N -3.33 0.00 -0.15 5.08 1.01 -1.03 -5.01 120.40 116.96 3dxj s VAL 97 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3dxj s VAL 97 Cb -0.01 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.37 3dxj s VAL 97 CO -0.09 0.00 0.01 -0.89 0.00 0.00 0.00 175.10 174.14 3dxj s THR 98 N -3.65 0.55 -0.11 3.92 2.01 -1.25 0.89 115.64 118.00 3dxj s THR 98 Ca 0.02 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 3dxj s THR 98 Cb -0.01 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3dxj s THR 98 CO -0.11 -0.02 0.51 -0.76 -0.69 0.00 0.00 174.62 173.54 3dxj s LEU 99 N 1.87 4.28 0.34 4.42 1.43 0.41 -4.81 118.68 126.63 3dxj s LEU 99 Ca 0.01 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 3dxj s LEU 99 Cb -0.15 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3dxj s LEU 99 CO -0.07 -0.02 0.54 -0.22 0.23 0.00 0.00 176.35 176.81 3dxj s LEU 100 N 0.65 4.01 -0.07 1.79 2.96 -1.26 -0.07 118.68 126.69 3dxj s LEU 100 Ca 0.28 0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 3dxj s LEU 100 Cb -0.16 -3.25 0.11 0.00 0.50 0.00 0.00 46.19 43.40 3dxj s LEU 100 CO 0.12 -0.31 0.94 -0.22 -1.32 0.00 0.00 176.35 175.56 3dxj s LEU 101 N -4.30 -0.35 0.00 -0.68 2.96 -1.22 -1.31 118.68 113.78 3dxj s LEU 101 Ca 0.40 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3dxj s LEU 101 Cb -0.10 1.93 0.00 0.00 0.50 0.00 0.00 46.19 48.52 3dxj s LEU 101 CO 0.35 -0.51 0.00 2.29 -1.32 0.00 0.00 176.35 177.17 3dxj n LYS 102 N 0.06 0.00 -4.61 1.98 2.85 -1.26 -2.14 118.16 115.04 3dxj n LYS 102 Ca -0.08 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.89 3dxj n LYS 102 Cb 0.60 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.90 3dxj n LYS 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dxj s ALA 103 N 0.00 3.34 0.11 0.58 0.00 -0.35 -4.93 121.76 120.52 3dxj s ALA 103 Ca 0.00 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 3dxj s ALA 103 Cb 0.00 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.64 3dxj s ALA 103 CO 0.00 -0.21 1.00 -0.85 0.00 0.00 0.00 175.76 175.71 3dxj n GLU 104 N -1.03 0.46 -0.65 0.00 0.00 -1.26 0.23 120.64 118.39 3dxj n GLU 104 Ca -0.11 -1.15 0.08 0.00 0.00 0.00 0.00 57.16 55.98 3dxj n GLU 104 Cb 0.66 1.63 -0.04 0.00 0.00 0.00 0.00 31.44 33.69 3dxj n GLU 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dxj n GLY 105 N -0.71 -2.54 3.58 -1.84 0.00 0.21 -4.67 105.19 99.22 3dxj n GLY 105 Ca -0.00 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 3dxj n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dxj n PRO 106 N -3.21 1.59 0.00 1.61 -0.04 -0.71 -3.12 135.00 131.12 3dxj n PRO 106 Ca -0.03 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3dxj n PRO 106 Cb 0.30 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 3dxj n PRO 106 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3dxj n LYS 107 N 8.87 0.00 -4.15 0.54 2.85 0.50 -4.86 118.16 121.92 3dxj n LYS 107 Ca 0.33 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.49 3dxj n LYS 107 Cb 0.49 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.77 3dxj n LYS 107 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3dxj s GLU 108 N 1.26 0.95 -0.05 -1.58 2.12 -1.26 -1.77 118.70 118.37 3dxj s GLU 108 Ca 0.00 -1.45 0.01 0.00 0.36 0.00 0.00 54.97 53.89 3dxj s GLU 108 Cb 0.00 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.66 3dxj s GLU 108 CO 0.00 -0.27 -0.04 0.08 -0.54 0.00 0.00 175.26 174.49 3dxj s VAL 109 N -4.05 0.57 0.23 3.70 1.01 0.13 -4.80 120.40 117.19 3dxj s VAL 109 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3dxj s VAL 109 Cb 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3dxj s VAL 109 CO 0.02 0.25 0.17 0.29 0.00 0.00 0.00 175.10 175.83 3dxj n LYS 110 N 4.28 1.15 0.06 2.72 4.76 -1.26 -1.75 118.16 128.12 3dxj n LYS 110 Ca -0.21 -1.47 -0.05 0.00 -2.87 0.00 0.00 58.31 53.71 3dxj n LYS 110 Cb 0.51 0.16 -0.03 0.00 -1.84 0.00 0.00 35.03 33.83 3dxj n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxj h ALA 111 N 0.72 -0.26 -0.64 7.82 0.00 0.14 -3.33 119.26 123.70 3dxj h ALA 111 Ca -0.15 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 111 Cb 0.54 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 3dxj h ALA 111 CO 0.23 -0.25 0.22 2.89 0.00 0.00 0.00 179.25 182.34 3dxj n ARG 112 N -4.95 -0.04 0.17 0.00 1.85 -0.62 -0.38 116.66 112.69 3dxj n ARG 112 Ca -0.04 0.92 0.07 0.00 -1.00 0.00 0.00 57.85 57.80 3dxj n ARG 112 Cb 0.13 -1.57 0.40 0.00 -1.05 0.00 0.00 32.46 30.37 3dxj n ARG 112 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3dxj h ASP 113 N 0.00 0.00 -3.76 2.89 5.19 -1.85 -3.44 116.42 115.45 3dxj h ASP 113 Ca 0.49 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.43 3dxj h ASP 113 Cb 1.20 0.00 0.18 0.00 0.18 0.00 0.00 39.33 40.89 3dxj h ASP 113 CO -0.54 0.00 0.15 0.12 -3.12 0.00 0.00 179.24 175.85 3dxj s PHE 114 N -3.37 1.81 -0.37 4.55 5.36 0.49 -4.84 117.98 121.61 3dxj s PHE 114 Ca -0.02 1.25 -0.29 0.00 -0.96 0.00 0.00 56.93 56.92 3dxj s PHE 114 Cb 0.04 -3.18 -0.00 0.00 -0.34 0.00 0.00 43.02 39.54 3dxj s PHE 114 CO 0.13 -3.11 1.59 -1.17 -1.46 0.00 0.00 175.22 171.20 3dxj s LEU 115 N -6.70 3.55 0.34 6.12 2.96 -0.43 -4.96 118.68 119.56 3dxj s LEU 115 Ca 0.66 1.05 -0.29 0.00 -0.22 0.00 0.00 54.13 55.33 3dxj s LEU 115 Cb -0.21 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 3dxj s LEU 115 CO 0.60 -1.55 1.43 -2.65 -1.32 0.00 0.00 176.35 172.86 3dxj n PRO 116 N 8.23 2.43 -4.08 0.98 -0.02 -1.26 -4.71 135.00 136.58 3dxj n PRO 116 Ca 0.19 0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 62.41 3dxj n PRO 116 Cb 0.47 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 3dxj n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxj s VAL 117 N -0.83 0.48 0.00 -1.45 1.01 -1.26 -5.12 120.40 113.23 3dxj s VAL 117 Ca 0.57 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3dxj s VAL 117 Cb -0.53 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3dxj s VAL 117 CO 0.60 -0.56 0.31 0.00 0.00 0.00 0.00 175.10 175.44 3dxj n ALA 118 N 1.03 0.00 1.82 5.51 0.00 -1.26 -3.41 120.51 124.20 3dxj n ALA 118 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.37 3dxj n ALA 118 Cb 0.57 0.10 0.77 0.00 0.00 0.00 0.00 19.45 20.88 3dxj n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dxj n ASP 119 N -0.50 0.00 -4.88 0.00 9.92 -1.26 -4.81 116.55 115.02 3dxj n ASP 119 Ca 0.00 -1.01 -0.30 0.00 -0.53 0.00 0.00 54.79 52.95 3dxj n ASP 119 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 3dxj n ASP 119 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dxj s VAL 120 N -2.00 4.81 -0.30 2.53 1.01 -1.22 -0.16 120.40 125.07 3dxj s VAL 120 Ca 0.39 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 3dxj s VAL 120 Cb 0.18 -3.75 0.18 0.00 0.00 0.00 0.00 36.38 32.99 3dxj s VAL 120 CO 0.30 -0.55 0.76 -0.70 0.00 0.00 0.00 175.10 174.90 3dxj s GLU 121 N -3.94 0.44 0.21 2.72 2.12 -0.88 -4.79 118.70 114.58 3dxj s GLU 121 Ca 0.51 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 56.36 3dxj s GLU 121 Cb -0.10 0.46 -0.08 0.00 0.26 0.00 0.00 34.13 34.67 3dxj s GLU 121 CO 0.33 -0.44 1.10 0.42 -0.54 0.00 0.00 175.26 176.13 3dxj s ILE 122 N 2.87 3.73 -0.09 -3.70 1.01 -1.26 -0.10 121.20 123.65 3dxj s ILE 122 Ca 0.11 1.58 -0.18 0.00 0.00 0.00 0.00 60.65 62.16 3dxj s ILE 122 Cb -0.13 -4.00 -0.28 0.00 0.01 0.00 0.00 42.46 38.05 3dxj s ILE 122 CO -0.18 0.31 0.65 0.24 0.00 0.00 0.00 174.94 175.96 3dxj h MET 123 N 4.65 0.25 -3.56 2.79 2.86 -1.11 -3.41 114.93 117.40 3dxj h MET 123 Ca -0.45 -0.42 -0.74 0.00 -2.06 0.00 0.00 59.70 56.02 3dxj h MET 123 Cb 1.21 0.16 -0.32 0.00 0.06 0.00 0.00 31.60 32.71 3dxj h MET 123 CO 0.71 1.20 -0.01 0.54 1.06 0.00 0.00 176.91 180.41 3dxj s ASN 124 N -7.00 6.25 0.38 1.22 2.20 -1.26 -4.87 114.94 111.87 3dxj s ASN 124 Ca -0.18 -3.22 0.19 0.00 -0.94 0.00 0.00 52.86 48.71 3dxj s ASN 124 Cb 0.03 -2.03 0.68 0.00 -2.00 0.00 0.00 41.25 37.93 3dxj s ASN 124 CO 0.78 -0.35 1.73 1.55 -2.94 0.00 0.00 177.10 177.87 3dxj h PRO 125 N 6.84 0.00 -0.20 3.55 0.13 -1.93 -2.55 132.00 137.84 3dxj h PRO 125 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dxj h PRO 125 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3dxj h PRO 125 CO 0.82 0.36 0.00 -0.25 -0.23 0.00 0.00 178.00 178.70 3dxj n ASP 126 N -3.51 0.63 -4.68 1.44 8.00 -1.26 -0.75 116.55 116.42 3dxj n ASP 126 Ca -0.00 -2.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 3dxj n ASP 126 Cb 0.51 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3dxj n ASP 126 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dxj s LEU 127 N -0.92 4.27 0.07 0.64 2.96 -0.96 -4.74 118.68 120.00 3dxj s LEU 127 Ca 0.06 1.94 -0.30 0.00 -0.22 0.00 0.00 54.13 55.61 3dxj s LEU 127 Cb 0.03 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 3dxj s LEU 127 CO 0.04 -0.73 0.98 -2.28 -1.32 0.00 0.00 176.35 173.05 3dxj s HIS 128 N 2.87 3.73 -0.17 5.38 5.65 -1.26 -0.50 115.29 130.99 3dxj s HIS 128 Ca 0.61 1.74 -0.08 0.00 0.25 0.00 0.00 55.06 57.57 3dxj s HIS 128 Cb -0.27 -3.10 -0.07 0.00 -1.18 0.00 0.00 32.58 27.95 3dxj s HIS 128 CO 0.22 0.04 -0.22 -0.89 -0.65 0.00 0.00 174.74 173.25 3dxj n ILE 129 N 3.23 0.93 -3.92 0.89 5.41 -0.72 -4.90 119.36 120.28 3dxj n ILE 129 Ca 0.04 -0.24 -0.00 0.00 1.00 0.00 0.00 62.75 63.55 3dxj n ILE 129 Cb 0.50 -1.72 0.01 0.00 -0.71 0.00 0.00 39.64 37.73 3dxj n ILE 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dxj n ALA 130 N -3.74 -2.76 -2.67 -1.39 0.00 -1.24 -4.67 120.51 104.03 3dxj n ALA 130 Ca -0.33 -0.79 -0.19 0.00 0.00 0.00 0.00 53.44 52.12 3dxj n ALA 130 Cb 0.74 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 20.36 3dxj n ALA 130 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dxj s THR 131 N -2.08 0.82 0.39 0.00 -4.23 -1.26 0.22 115.64 109.49 3dxj s THR 131 Ca 0.23 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 3dxj s THR 131 Cb -0.02 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 73.06 3dxj s THR 131 CO 0.02 0.14 0.14 -0.76 -0.54 0.00 0.00 174.62 173.62 3dxj s LEU 132 N -0.49 3.12 0.00 4.79 1.43 -0.73 -4.15 118.68 122.65 3dxj s LEU 132 Ca 0.02 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 3dxj s LEU 132 Cb -0.05 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3dxj s LEU 132 CO -0.00 -0.45 0.00 -1.84 0.23 0.00 0.00 176.35 174.29 3dxj n GLU 133 N -1.17 0.00 -2.01 1.70 0.28 -0.80 -0.37 120.64 118.26 3dxj n GLU 133 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 3dxj n GLU 133 Cb 0.64 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.48 3dxj n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3dxj s GLU 134 N 1.99 4.25 0.00 3.44 0.41 -1.26 -1.74 118.70 125.80 3dxj s GLU 134 Ca 0.00 2.27 0.00 0.00 -0.41 0.00 0.00 54.97 56.83 3dxj s GLU 134 Cb 0.00 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 3dxj s GLU 134 CO 0.00 -0.52 0.00 0.41 -0.49 0.00 0.00 175.26 174.66 3dxj n GLY 135 N 3.40 1.66 3.61 -1.39 0.00 -1.26 -4.49 105.19 106.72 3dxj n GLY 135 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3dxj n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxj s GLY 136 N 0.00 0.65 0.09 -0.02 0.00 -0.92 -4.85 107.32 102.28 3dxj s GLY 136 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 44.72 45.57 3dxj s GLY 136 CO 0.00 3.70 -0.18 -1.60 0.00 0.00 0.00 173.10 175.02 3dxj s ARG 137 N 6.04 1.01 -0.02 2.90 3.52 -1.26 -0.62 118.95 130.52 3dxj s ARG 137 Ca 0.96 -1.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 3dxj s ARG 137 Cb -0.33 -1.16 -0.00 0.00 -1.56 0.00 0.00 34.95 31.90 3dxj s ARG 137 CO 0.35 0.26 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.82 3dxj s LEU 138 N -1.89 1.91 -0.25 -0.88 2.96 0.62 -4.94 118.68 116.21 3dxj s LEU 138 Ca 0.04 -0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 53.59 3dxj s LEU 138 Cb -0.10 -0.64 0.08 0.00 0.50 0.00 0.00 46.19 46.03 3dxj s LEU 138 CO 0.04 0.12 0.61 0.21 -1.32 0.00 0.00 176.35 176.00 3dxj s ASN 139 N -0.04 -0.85 0.38 3.68 3.84 -1.26 -1.21 114.94 119.48 3dxj s ASN 139 Ca 0.00 1.36 -0.14 0.00 0.21 0.00 0.00 52.86 54.30 3dxj s ASN 139 Cb -0.07 1.35 0.05 0.00 -0.55 0.00 0.00 41.25 42.03 3dxj s ASN 139 CO 0.00 -0.23 0.75 0.00 -2.79 0.00 0.00 177.10 174.84 3dxj s MET 140 N 1.77 2.21 -0.26 0.43 0.23 -0.91 -3.08 119.30 119.69 3dxj s MET 140 Ca -0.09 -1.49 -0.04 0.00 -1.03 0.00 0.00 55.69 53.05 3dxj s MET 140 Cb -0.07 0.61 0.10 0.00 -1.53 0.00 0.00 34.83 33.93 3dxj s MET 140 CO -0.18 -1.02 0.15 -1.21 -2.03 0.00 0.00 175.02 170.73 3dxj s GLU 141 N -2.37 0.18 -0.40 3.16 2.02 0.39 -3.45 118.70 118.23 3dxj s GLU 141 Ca 0.17 -0.35 -0.24 0.00 0.02 0.00 0.00 54.97 54.58 3dxj s GLU 141 Cb -0.05 -1.23 0.02 0.00 0.10 0.00 0.00 34.13 32.97 3dxj s GLU 141 CO 0.13 -0.93 0.81 0.08 0.02 0.00 0.00 175.26 175.36 3dxj s VAL 142 N 2.15 4.67 0.00 2.63 1.01 0.90 -3.01 120.40 128.75 3dxj s VAL 142 Ca 0.08 0.77 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 3dxj s VAL 142 Cb -0.16 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 3dxj s VAL 142 CO -0.30 -0.56 0.54 -0.60 0.00 0.00 0.00 175.10 174.18 3dxj s ARG 143 N 3.25 4.22 0.23 2.72 3.00 -0.10 0.16 118.95 132.43 3dxj s ARG 143 Ca 0.32 0.64 0.01 0.00 -1.00 0.00 0.00 55.73 55.70 3dxj s ARG 143 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 34.95 31.47 3dxj s ARG 143 CO 0.20 0.47 0.09 0.08 0.00 0.00 0.00 175.30 176.14 3dxj s VAL 144 N -0.49 0.44 0.13 7.11 1.01 0.26 -1.93 120.40 126.93 3dxj s VAL 144 Ca 0.28 -1.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.07 3dxj s VAL 144 Cb -0.18 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.73 3dxj s VAL 144 CO 0.16 -0.07 0.51 -1.81 0.00 0.00 0.00 175.10 173.89 3dxj s ASP 145 N -3.26 -0.42 0.27 3.32 1.01 -1.20 -2.47 116.67 113.92 3dxj s ASP 145 Ca 0.36 -0.11 -0.21 0.00 0.71 0.00 0.00 52.55 53.30 3dxj s ASP 145 Cb 0.07 0.53 -0.09 0.00 1.01 0.00 0.00 42.92 44.45 3dxj s ASP 145 CO 0.12 -0.89 0.80 -0.60 0.21 0.00 0.00 175.17 174.80 3dxj s ARG 146 N -3.61 4.31 0.00 8.23 3.52 -1.17 -2.58 118.95 127.65 3dxj s ARG 146 Ca 0.01 0.98 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 3dxj s ARG 146 Cb 0.00 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 3dxj s ARG 146 CO -0.11 0.31 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 3dxj n GLY 147 N 0.47 -0.67 3.19 8.12 0.00 0.10 -4.97 105.19 111.42 3dxj n GLY 147 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 3dxj n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dxj s VAL 148 N -3.00 0.09 0.00 1.61 -7.23 -1.26 -0.05 120.40 110.57 3dxj s VAL 148 Ca 0.00 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3dxj s VAL 148 Cb 0.00 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.14 3dxj s VAL 148 CO 0.00 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 3dxj n GLY 149 N 0.87 -0.38 3.85 2.32 0.00 -1.25 -4.48 105.19 106.12 3dxj n GLY 149 Ca -0.20 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 3dxj n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dxj s TYR 150 N 0.00 3.52 -0.12 1.61 5.04 -1.26 -0.52 117.35 125.63 3dxj s TYR 150 Ca 0.00 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 3dxj s TYR 150 Cb 0.00 -1.92 0.02 0.00 0.35 0.00 0.00 41.96 40.42 3dxj s TYR 150 CO 0.00 0.69 -0.10 0.08 -1.34 0.00 0.00 175.55 174.88 3dxj s VAL 151 N -1.00 1.22 0.25 3.14 1.01 0.30 -4.96 120.40 120.36 3dxj s VAL 151 Ca 0.15 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3dxj s VAL 151 Cb -0.12 -1.19 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 3dxj s VAL 151 CO 0.04 0.40 1.33 -2.16 0.00 0.00 0.00 175.10 174.71 3dxj s PRO 152 N 1.52 4.36 0.59 2.72 0.04 -1.26 0.14 135.00 143.11 3dxj s PRO 152 Ca 0.03 2.15 0.30 0.00 0.04 0.00 0.00 61.00 63.51 3dxj s PRO 152 Cb -0.13 -3.14 1.79 0.00 0.04 0.00 0.00 34.50 33.06 3dxj s PRO 152 CO -0.08 -0.26 2.21 0.00 0.04 0.00 0.00 177.00 178.92 3dxj h ALA 153 N 4.70 1.59 0.00 8.56 0.00 -1.89 -1.46 119.26 130.77 3dxj h ALA 153 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dxj h ALA 153 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dxj h ALA 153 CO 0.74 -0.10 0.00 0.93 0.00 0.00 0.00 179.25 180.82 3dxj h GLU 154 N 0.00 0.00 0.00 0.00 3.07 -1.89 -3.29 114.58 112.47 3dxj h GLU 154 Ca 0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3dxj h GLU 154 Cb 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3dxj h GLU 154 CO -0.00 0.00 -0.40 -0.22 -1.40 0.00 0.00 179.01 176.99 3dxj h LYS 155 N 0.00 0.00 -2.76 2.33 3.64 -1.64 -3.37 116.57 114.78 3dxj h LYS 155 Ca 0.00 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.66 3dxj h LYS 155 Cb 0.72 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 3dxj h LYS 155 CO 0.00 0.22 2.83 -2.39 -2.27 0.00 0.00 179.45 177.84 3dxj n HIS 156 N -4.65 2.56 -0.77 1.91 1.44 -1.23 -4.85 115.22 109.64 3dxj n HIS 156 Ca -0.08 -2.90 -0.40 0.00 -2.01 0.00 0.00 57.72 52.32 3dxj n HIS 156 Cb 0.25 -2.03 -0.08 0.00 0.12 0.00 0.00 29.99 28.25 3dxj n HIS 156 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dxj n GLY 157 N 2.29 1.66 3.52 -1.39 0.00 -1.24 -4.81 105.19 105.22 3dxj n GLY 157 Ca 0.67 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3dxj n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dxj s ILE 158 N 5.78 5.27 0.32 -0.61 1.01 -1.26 -5.03 121.20 126.68 3dxj s ILE 158 Ca 0.58 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 61.05 3dxj s ILE 158 Cb 0.14 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3dxj s ILE 158 CO 0.20 -0.05 0.03 -1.59 0.00 0.00 0.00 174.94 173.53 3dxj s LYS 159 N 1.76 1.65 0.00 2.79 -2.85 -1.26 -4.45 119.74 117.37 3dxj s LYS 159 Ca 0.07 -1.90 0.00 0.00 -1.00 0.00 0.00 55.97 53.14 3dxj s LYS 159 Cb -0.17 -0.99 0.00 0.00 -2.06 0.00 0.00 37.83 34.61 3dxj s LYS 159 CO 0.11 -0.12 0.00 -0.25 0.10 0.00 0.00 175.35 175.18 3dxj n ASP 160 N -0.68 0.00 -4.86 0.03 8.00 -1.26 -5.07 116.55 112.71 3dxj n ASP 160 Ca -0.03 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.25 3dxj n ASP 160 Cb 0.66 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.72 3dxj n ASP 160 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dxj s ARG 161 N -0.31 2.85 0.00 -1.24 1.81 -1.26 -4.95 118.95 115.85 3dxj s ARG 161 Ca 0.00 -1.17 0.22 0.00 -1.72 0.00 0.00 55.73 53.06 3dxj s ARG 161 Cb 0.00 -2.55 1.02 0.00 -0.45 0.00 0.00 34.95 32.97 3dxj s ARG 161 CO 0.00 0.22 1.69 0.44 -0.68 0.00 0.00 175.30 176.97 3dxj n ILE 162 N -1.32 0.41 -0.53 1.52 -5.35 -1.26 -1.99 119.36 110.85 3dxj n ILE 162 Ca -0.04 0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3dxj n ILE 162 Cb 0.59 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 3dxj n ILE 162 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3dxj n ASN 163 N -1.37 0.79 -4.64 7.28 3.02 -1.26 -5.02 115.26 114.06 3dxj n ASN 163 Ca 0.08 -1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 52.89 3dxj n ASN 163 Cb 0.20 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3dxj n ASN 163 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxj s ALA 164 N -0.32 3.38 -0.08 5.41 0.00 -0.84 -4.61 121.76 124.69 3dxj s ALA 164 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 3dxj s ALA 164 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 3dxj s ALA 164 CO 0.00 -1.81 -0.04 0.42 0.00 0.00 0.00 175.76 174.33 3dxj s ILE 165 N 5.13 3.95 0.50 0.00 1.01 0.26 -4.62 121.20 127.43 3dxj s ILE 165 Ca 0.82 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.96 3dxj s ILE 165 Cb -0.34 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 3dxj s ILE 165 CO 0.34 0.59 0.91 -2.16 0.00 0.00 0.00 174.94 174.62 3dxj s PRO 166 N -0.76 3.78 0.04 2.79 0.04 -1.26 0.24 135.00 139.87 3dxj s PRO 166 Ca 0.12 0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.86 3dxj s PRO 166 Cb -0.11 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3dxj s PRO 166 CO 0.02 -0.26 -0.07 0.08 0.04 0.00 0.00 177.00 176.81 3dxj s VAL 167 N -2.68 0.46 -0.29 -0.36 1.01 0.14 -4.78 120.40 113.90 3dxj s VAL 167 Ca 0.54 -1.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 3dxj s VAL 167 Cb -0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3dxj s VAL 167 CO 0.38 -0.45 1.94 -1.81 0.00 0.00 0.00 175.10 175.16 3dxj s ASP 168 N -1.68 5.76 -0.12 3.32 1.01 -1.26 -3.70 116.67 120.00 3dxj s ASP 168 Ca -0.09 1.52 -0.21 0.00 0.71 0.00 0.00 52.55 54.48 3dxj s ASP 168 Cb -0.09 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3dxj s ASP 168 CO -0.00 -1.78 0.61 0.00 0.21 0.00 0.00 175.17 174.20 3dxj s ALA 169 N 7.31 3.44 -0.82 5.23 0.00 0.37 -4.85 121.76 132.45 3dxj s ALA 169 Ca 0.87 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3dxj s ALA 169 Cb -0.26 -2.86 0.28 0.00 0.00 0.00 0.00 23.12 20.28 3dxj s ALA 169 CO 0.34 -0.20 1.08 1.33 0.00 0.00 0.00 175.76 178.30 3dxj n VAL 170 N 4.02 3.67 0.40 0.00 0.24 -1.26 0.11 118.33 125.51 3dxj n VAL 170 Ca -0.03 -5.55 -0.16 0.00 -2.04 0.00 0.00 64.34 56.56 3dxj n VAL 170 Cb 0.51 -2.03 -0.08 0.00 -1.47 0.00 0.00 33.84 30.77 3dxj n VAL 170 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3dxj h PHE 171 N 4.57 -0.97 -0.25 6.34 -1.00 -0.94 -3.40 116.94 121.29 3dxj h PHE 171 Ca 0.21 -0.02 -0.68 0.00 2.81 0.00 0.00 57.97 60.29 3dxj h PHE 171 Cb 0.62 0.32 -0.05 0.00 3.61 0.00 0.00 35.95 40.45 3dxj h PHE 171 CO 0.86 -0.60 1.45 0.45 -1.61 0.00 0.00 178.31 178.87 3dxj n SER 172 N -5.15 0.94 0.00 2.17 2.88 -1.13 -3.78 113.62 109.54 3dxj n SER 172 Ca -0.13 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 3dxj n SER 172 Cb 0.41 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 3dxj n SER 172 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dxj n PRO 173 N 7.92 0.54 -3.07 -1.46 -0.04 -1.26 -4.69 135.00 132.93 3dxj n PRO 173 Ca 0.55 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 3dxj n PRO 173 Cb 0.05 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 3dxj n PRO 173 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dxj s VAL 174 N -2.00 4.87 -0.03 0.52 1.01 -1.26 0.07 120.40 123.58 3dxj s VAL 174 Ca 0.00 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 3dxj s VAL 174 Cb 0.00 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 3dxj s VAL 174 CO 0.00 -0.28 1.22 0.03 0.00 0.00 0.00 175.10 176.07 3dxj h ARG 175 N 8.37 -0.03 -3.16 2.72 2.47 0.33 -3.47 114.38 121.61 3dxj h ARG 175 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3dxj h ARG 175 Cb 1.11 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 29.35 3dxj h ARG 175 CO 0.84 0.46 0.12 0.50 0.56 0.00 0.00 179.97 182.46 3dxj s ARG 176 N -4.15 1.48 -0.11 0.04 3.52 -0.10 -4.96 118.95 114.66 3dxj s ARG 176 Ca -0.16 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 54.57 3dxj s ARG 176 Cb 0.01 0.56 0.05 0.00 -1.56 0.00 0.00 34.95 34.02 3dxj s ARG 176 CO 0.66 -0.65 0.26 0.08 -0.81 0.00 0.00 175.30 174.84 3dxj s VAL 177 N -3.86 -0.12 -0.06 7.11 1.01 -1.26 -1.13 120.40 122.09 3dxj s VAL 177 Ca 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 3dxj s VAL 177 Cb -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 35.99 3dxj s VAL 177 CO -0.02 0.07 0.11 0.00 0.00 0.00 0.00 175.10 175.26 3dxj s ALA 178 N 1.52 -0.02 0.14 5.51 0.00 -0.26 -5.01 121.76 123.64 3dxj s ALA 178 Ca -0.07 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3dxj s ALA 178 Cb -0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3dxj s ALA 178 CO -0.09 -0.45 -0.11 -0.59 0.00 0.00 0.00 175.76 174.52 3dxj s PHE 179 N 2.01 1.31 -0.17 0.00 -0.12 -1.26 -0.41 117.98 119.34 3dxj s PHE 179 Ca 0.01 -0.68 -0.13 0.00 -0.05 0.00 0.00 56.93 56.07 3dxj s PHE 179 Cb -0.12 -0.67 0.05 0.00 -0.63 0.00 0.00 43.02 41.65 3dxj s PHE 179 CO -0.05 0.11 0.44 1.14 -0.05 0.00 0.00 175.22 176.81 3dxj s GLN 180 N -3.39 0.48 0.20 1.99 -2.07 -0.96 -5.00 119.66 110.91 3dxj s GLN 180 Ca 0.14 0.69 0.04 0.00 -1.82 0.00 0.00 55.36 54.41 3dxj s GLN 180 Cb -0.00 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 3dxj s GLN 180 CO 0.02 -0.10 0.31 0.08 -1.32 0.00 0.00 175.29 174.28 3dxj s VAL 181 N 0.67 5.23 -0.28 3.63 1.01 -1.26 -1.38 120.40 128.02 3dxj s VAL 181 Ca -0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 3dxj s VAL 181 Cb -0.05 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.66 3dxj s VAL 181 CO -0.05 -0.21 0.82 -1.83 0.00 0.00 0.00 175.10 173.83 3dxj s GLU 182 N -3.60 0.67 0.76 2.72 -1.05 -0.86 -4.95 118.70 112.40 3dxj s GLU 182 Ca 0.34 0.92 -0.15 0.00 -0.15 0.00 0.00 54.97 55.93 3dxj s GLU 182 Cb -0.10 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 3dxj s GLU 182 CO 0.28 -0.10 0.74 -0.25 0.95 0.00 0.00 175.26 176.88 3dxj n ASP 183 N 3.09 -0.49 -3.71 0.83 9.92 -1.26 -2.47 116.55 122.46 3dxj n ASP 183 Ca -0.16 0.58 -0.14 0.00 -0.53 0.00 0.00 54.79 54.55 3dxj n ASP 183 Cb 0.56 -1.31 -0.09 0.00 -0.64 0.00 0.00 41.12 39.64 3dxj n ASP 183 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3dxj s THR 184 N -1.97 0.01 0.04 -3.53 -1.32 -0.89 -4.86 115.64 103.12 3dxj s THR 184 Ca 0.68 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 3dxj s THR 184 Cb -0.32 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 3dxj s THR 184 CO 0.56 -0.05 0.06 -2.11 -2.21 0.00 0.00 174.62 170.87 3dxj n ARG 185 N 2.39 0.83 0.00 7.08 1.85 -1.26 -3.37 116.66 124.18 3dxj n ARG 185 Ca -0.15 -0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.51 3dxj n ARG 185 Cb 0.57 -0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 3dxj n ARG 185 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3dxj n LEU 186 N 0.00 0.00 0.00 2.89 7.94 0.79 -4.83 117.00 123.78 3dxj n LEU 186 Ca 0.01 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 3dxj n LEU 186 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3dxj n LEU 186 CO 0.02 0.38 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 3dxj n GLY 187 N 0.00 3.11 1.32 -3.96 0.00 -1.26 -4.50 105.19 99.89 3dxj n GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dxj n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLN 188 N -1.80 0.00 -3.52 1.61 10.64 -1.26 -5.04 117.38 118.01 3dxj n GLN 188 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 3dxj n GLN 188 Cb 0.00 -0.25 -0.09 0.00 -0.86 0.00 0.00 30.24 29.04 3dxj n GLN 188 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3dxj s ARG 189 N -1.70 4.08 -0.00 2.61 0.52 -1.26 -4.93 118.95 118.26 3dxj s ARG 189 Ca 0.00 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 3dxj s ARG 189 Cb 0.00 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 3dxj s ARG 189 CO 0.00 -0.06 0.09 2.41 0.02 0.00 0.00 175.30 177.76 3dxj n THR 190 N 4.54 0.00 1.43 0.02 -1.04 -1.26 -0.15 114.28 117.82 3dxj n THR 190 Ca -0.12 -0.22 0.10 0.00 -2.04 0.00 0.00 64.05 61.77 3dxj n THR 190 Cb 0.51 0.67 0.61 0.00 -1.82 0.00 0.00 70.33 70.30 3dxj n THR 190 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3dxj n ASP 191 N -1.38 0.00 -4.76 8.00 5.75 -1.26 -3.19 116.55 119.72 3dxj n ASP 191 Ca -0.00 -0.79 -0.36 0.00 -0.01 0.00 0.00 54.79 53.62 3dxj n ASP 191 Cb 0.06 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.18 3dxj n ASP 191 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3dxj s LEU 192 N -1.89 3.75 0.57 -2.12 1.43 -1.22 -4.30 118.68 114.90 3dxj s LEU 192 Ca 0.31 2.40 -0.08 0.00 -1.03 0.00 0.00 54.13 55.72 3dxj s LEU 192 Cb 0.14 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 3dxj s LEU 192 CO 0.24 -1.44 0.93 -1.81 0.23 0.00 0.00 176.35 174.50 3dxj s ASP 193 N -1.49 6.18 -0.37 2.29 1.11 0.12 -2.10 116.67 122.41 3dxj s ASP 193 Ca 0.74 1.18 0.05 0.00 0.18 0.00 0.00 52.55 54.70 3dxj s ASP 193 Cb -0.31 -2.32 0.16 0.00 1.07 0.00 0.00 42.92 41.53 3dxj s ASP 193 CO 0.34 -0.79 0.47 -0.75 1.18 0.00 0.00 175.17 175.62 3dxj s LYS 194 N -5.01 0.67 -0.11 8.23 2.20 -1.03 -1.52 119.74 123.17 3dxj s LYS 194 Ca 0.52 -0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 55.36 3dxj s LYS 194 Cb -0.11 -0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.80 3dxj s LYS 194 CO 0.50 -1.17 0.74 -1.17 -0.36 0.00 0.00 175.35 173.89 3dxj s LEU 195 N 1.71 4.25 0.02 5.43 2.96 -1.20 -2.02 118.68 129.84 3dxj s LEU 195 Ca 0.16 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 3dxj s LEU 195 Cb -0.11 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 3dxj s LEU 195 CO -0.08 -0.23 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.75 3dxj s THR 196 N 1.38 3.53 0.04 3.68 2.01 -0.48 -2.64 115.64 123.17 3dxj s THR 196 Ca 0.37 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.51 3dxj s THR 196 Cb -0.17 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 3dxj s THR 196 CO 0.16 0.34 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.11 3dxj s LEU 197 N -1.56 2.21 -0.16 4.42 2.96 0.14 -2.27 118.68 124.41 3dxj s LEU 197 Ca 0.18 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3dxj s LEU 197 Cb -0.11 -0.31 0.06 0.00 0.50 0.00 0.00 46.19 46.32 3dxj s LEU 197 CO 0.09 -0.11 0.07 -0.13 -1.32 0.00 0.00 176.35 174.95 3dxj s ARG 198 N -1.33 0.24 -0.08 1.98 0.52 0.45 -0.15 118.95 120.58 3dxj s ARG 198 Ca -0.05 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3dxj s ARG 198 Cb -0.09 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 3dxj s ARG 198 CO 0.01 -0.61 -0.18 0.42 0.02 0.00 0.00 175.30 174.96 3dxj s ILE 199 N 2.05 2.63 -0.30 1.52 1.01 0.61 -1.10 121.20 127.62 3dxj s ILE 199 Ca 0.02 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 3dxj s ILE 199 Cb -0.16 -2.03 0.04 0.00 0.01 0.00 0.00 42.46 40.32 3dxj s ILE 199 CO -0.08 0.56 0.01 0.26 0.00 0.00 0.00 174.94 175.69 3dxj s TRP 200 N -0.09 3.23 0.51 3.97 0.52 -0.28 -0.74 118.94 126.07 3dxj s TRP 200 Ca -0.04 -1.72 0.08 0.00 0.02 0.00 0.00 56.10 54.44 3dxj s TRP 200 Cb -0.14 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.09 3dxj s TRP 200 CO 0.04 -0.77 0.58 0.95 0.02 0.00 0.00 176.95 177.77 3dxj s THR 201 N 1.30 2.24 -1.97 2.01 -4.23 0.65 0.26 115.64 115.90 3dxj s THR 201 Ca -0.04 -1.19 0.12 0.00 -1.18 0.00 0.00 61.69 59.40 3dxj s THR 201 Cb -0.19 -2.43 0.34 0.00 1.34 0.00 0.00 72.50 71.56 3dxj s THR 201 CO -0.01 0.00 1.28 -0.90 -0.54 0.00 0.00 174.62 174.45 3dxj n ASP 202 N -1.93 2.11 0.00 3.99 5.75 0.11 -4.43 116.55 122.14 3dxj n ASP 202 Ca 0.08 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3dxj n ASP 202 Cb 0.62 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3dxj n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxj n GLY 203 N 1.10 2.62 0.34 6.12 0.00 -1.23 -4.75 105.19 109.39 3dxj n GLY 203 Ca 0.13 -0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.33 3dxj n GLY 203 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dxj h SER 204 N 0.00 0.00 -3.39 1.61 4.64 -1.89 -3.38 113.55 111.13 3dxj h SER 204 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3dxj h SER 204 Cb 0.00 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 61.72 3dxj h SER 204 CO 0.00 0.00 -0.74 -0.69 -0.87 0.00 0.00 176.83 174.53 3dxj s VAL 205 N -4.15 -0.05 0.25 0.95 1.01 -1.26 -5.12 120.40 112.03 3dxj s VAL 205 Ca -0.05 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3dxj s VAL 205 Cb 0.12 -0.15 -0.14 0.00 0.00 0.00 0.00 36.38 36.22 3dxj s VAL 205 CO 0.39 0.15 1.31 0.41 0.00 0.00 0.00 175.10 177.35 3dxj n THR 206 N 4.83 1.25 -0.33 3.92 -1.04 -1.24 -4.60 114.28 117.06 3dxj n THR 206 Ca -0.13 -0.31 0.18 0.00 -2.04 0.00 0.00 64.05 61.74 3dxj n THR 206 Cb 0.50 -1.35 0.38 0.00 -1.82 0.00 0.00 70.33 68.04 3dxj n THR 206 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3dxj h PRO 207 N 3.54 0.47 0.00 -2.82 0.11 -1.83 -2.84 132.00 128.63 3dxj h PRO 207 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dxj h PRO 207 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dxj h PRO 207 CO 0.71 0.31 0.00 -0.11 -0.21 0.00 0.00 178.00 178.70 3dxj n LEU 208 N -4.96 0.00 -0.18 2.35 7.94 -1.26 -2.77 117.00 118.12 3dxj n LEU 208 Ca 0.26 0.98 0.02 0.00 -1.11 0.00 0.00 56.01 56.17 3dxj n LEU 208 Cb 0.76 -0.48 0.06 0.00 0.53 0.00 0.00 43.42 44.29 3dxj n LEU 208 CO 0.14 -0.48 0.31 -0.62 -1.11 0.00 0.00 177.39 175.63 3dxj n GLU 209 N -2.01 -0.06 0.00 1.96 1.02 -1.08 0.79 120.64 121.26 3dxj n GLU 209 Ca 0.00 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 3dxj n GLU 209 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3dxj n GLU 209 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj n ALA 210 N -3.81 -0.19 -0.08 0.62 0.00 -1.15 -1.25 120.51 114.65 3dxj n ALA 210 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dxj n ALA 210 Cb 0.23 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3dxj n ALA 210 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 211 N -2.05 0.00 -0.34 0.00 7.94 0.24 0.13 117.00 122.92 3dxj n LEU 211 Ca 0.00 0.29 -0.09 0.00 -1.11 0.00 0.00 56.01 55.10 3dxj n LEU 211 Cb 0.00 -0.13 -0.08 0.00 0.53 0.00 0.00 43.42 43.74 3dxj n LEU 211 CO 0.00 -0.13 0.47 0.59 -1.11 0.00 0.00 177.39 177.21 3dxj n ASN 212 N -1.95 -0.85 -0.25 1.96 3.02 -1.01 0.91 115.26 117.10 3dxj n ASN 212 Ca 0.00 1.59 -0.02 0.00 -0.03 0.00 0.00 54.58 56.12 3dxj n ASN 212 Cb 0.00 -0.27 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 3dxj n ASN 212 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3dxj h GLN 213 N 0.00 -0.09 0.57 3.52 4.20 0.25 0.79 115.11 124.35 3dxj h GLN 213 Ca 0.13 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3dxj h GLN 213 Cb 0.33 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3dxj h GLN 213 CO -0.76 -0.06 -0.50 0.00 -0.67 0.00 0.00 178.83 176.84 3dxj h ALA 214 N 1.29 -1.19 -0.73 3.87 0.00 0.57 -0.59 119.26 122.48 3dxj h ALA 214 Ca 0.29 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3dxj h ALA 214 Cb 0.56 0.71 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3dxj h ALA 214 CO -0.76 -1.20 0.01 -0.39 0.00 0.00 0.00 179.25 176.91 3dxj h VAL 215 N -1.06 0.37 0.06 0.00 -1.51 0.22 -1.16 116.25 113.17 3dxj h VAL 215 Ca -0.07 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3dxj h VAL 215 Cb 0.90 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 3dxj h VAL 215 CO -0.02 0.02 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.13 3dxj h GLU 216 N 0.11 -0.19 -0.43 5.19 4.57 0.94 0.23 114.58 125.00 3dxj h GLU 216 Ca 0.40 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.63 3dxj h GLU 216 Cb 0.69 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.27 3dxj h GLU 216 CO -0.64 -0.13 -0.25 -0.89 -1.18 0.00 0.00 179.01 175.92 3dxj n ILE 217 N -3.11 -0.29 0.16 2.32 5.41 -0.27 0.91 119.36 124.48 3dxj n ILE 217 Ca -0.02 1.07 -0.13 0.00 1.00 0.00 0.00 62.75 64.67 3dxj n ILE 217 Cb 0.10 -1.32 -0.07 0.00 -0.71 0.00 0.00 39.64 37.63 3dxj n ILE 217 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3dxj h LEU 218 N 0.00 -1.08 -0.84 1.39 5.85 -0.81 0.15 115.31 119.96 3dxj h LEU 218 Ca 0.07 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3dxj h LEU 218 Cb 0.18 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 41.46 3dxj h LEU 218 CO -0.40 -0.45 -0.52 -0.09 -0.34 0.00 0.00 178.44 176.64 3dxj h ARG 219 N -0.65 -0.09 -0.88 1.25 2.43 0.37 1.03 114.38 117.84 3dxj h ARG 219 Ca -0.03 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.38 3dxj h ARG 219 Cb 0.60 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.04 3dxj h ARG 219 CO -0.12 -0.06 0.32 1.49 -1.51 0.00 0.00 179.97 180.09 3dxj h GLU 220 N -0.10 0.29 -0.68 0.20 4.22 0.99 0.61 114.58 120.11 3dxj h GLU 220 Ca 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.60 3dxj h GLU 220 Cb 0.50 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3dxj h GLU 220 CO -0.86 0.19 0.36 0.45 -2.18 0.00 0.00 179.01 176.97 3dxj h HIS 221 N 0.30 0.93 0.00 0.92 3.86 0.40 -1.41 115.15 120.15 3dxj h HIS 221 Ca 0.55 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 3dxj h HIS 221 Cb 1.09 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.26 3dxj h HIS 221 CO -0.19 0.66 0.00 1.28 0.86 0.00 0.00 177.93 180.54 3dxj n LEU 222 N -4.36 0.45 0.19 2.43 4.77 0.20 0.12 117.00 120.80 3dxj n LEU 222 Ca 0.07 0.70 0.04 0.00 -0.03 0.00 0.00 56.01 56.79 3dxj n LEU 222 Cb 0.11 -0.75 0.38 0.00 -2.33 0.00 0.00 43.42 40.82 3dxj n LEU 222 CO 0.38 -0.84 0.71 0.74 -1.33 0.00 0.00 177.39 177.06 3dxj h THR 223 N 0.00 1.11 0.00 -5.08 2.02 -1.24 -3.07 112.91 106.65 3dxj h THR 223 Ca 0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 3dxj h THR 223 Cb 0.02 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3dxj h THR 223 CO 0.00 0.37 0.00 -1.22 0.37 0.00 0.00 175.52 175.04 3dxj n TYR 224 N -3.86 0.00 0.55 3.16 0.53 0.12 -0.97 117.16 116.69 3dxj n TYR 224 Ca -0.01 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.93 3dxj n TYR 224 Cb 0.44 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.73 3dxj n TYR 224 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3dxj n PHE 225 N -0.84 0.00 0.19 -0.72 3.01 -1.16 -4.48 117.46 113.47 3dxj n PHE 225 Ca 0.04 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.55 3dxj n PHE 225 Cb 0.02 0.00 0.40 0.00 -0.01 0.00 0.00 39.48 39.89 3dxj n PHE 225 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3dxj h SER 226 N 1.00 0.00 -3.79 4.37 0.02 -1.24 -3.39 113.55 110.52 3dxj h SER 226 Ca 0.00 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.17 3dxj h SER 226 Cb 0.38 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.65 3dxj h SER 226 CO 0.00 0.35 0.13 0.21 -1.14 0.00 0.00 176.83 176.38 3dxj s ASN 227 N -6.72 6.73 0.93 3.07 3.84 -1.26 -5.06 114.94 116.47 3dxj s ASN 227 Ca -0.02 -2.93 -0.13 0.00 0.21 0.00 0.00 52.86 49.99 3dxj s ASN 227 Cb 0.13 -2.17 0.03 0.00 -0.55 0.00 0.00 41.25 38.69 3dxj s ASN 227 CO 0.70 -0.48 0.43 -2.65 -2.79 0.00 0.00 177.10 172.30 3dxj n PRO 228 N 3.61 -0.23 -3.11 0.43 -0.02 -1.26 -5.01 135.00 129.40 3dxj n PRO 228 Ca 0.16 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3dxj n PRO 228 Cb 0.44 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 3dxj n PRO 228 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3dxj s GLN 229 N -3.57 0.81 0.20 -0.52 2.00 -1.26 -5.15 119.66 112.18 3dxj s GLN 229 Ca 0.58 -0.36 -0.32 0.00 -2.00 0.00 0.00 55.36 53.25 3dxj s GLN 229 Cb -0.22 0.07 -0.13 0.00 0.80 0.00 0.00 33.01 33.53 3dxj s GLN 229 CO 0.66 -1.14 1.64 0.00 -0.50 0.00 0.00 175.29 175.95 3dxj n ALA 230 N 4.14 2.15 -2.48 1.58 0.00 -1.26 -5.00 120.51 119.64 3dxj n ALA 230 Ca 0.12 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.84 3dxj n ALA 230 Cb 0.57 -2.44 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 3dxj n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj s ALA 231 N 0.87 0.97 -0.46 0.00 0.00 -1.26 -5.10 121.76 116.79 3dxj s ALA 231 Ca 0.75 -1.59 -0.32 0.00 0.00 0.00 0.00 51.96 50.80 3dxj s ALA 231 Cb -0.58 1.32 -0.11 0.00 0.00 0.00 0.00 23.12 23.75 3dxj s ALA 231 CO 0.37 -0.68 2.32 0.00 0.00 0.00 0.00 175.76 177.77 3dxj n ALA 232 N -0.39 0.98 -2.26 0.00 0.00 -1.26 -4.90 120.51 112.68 3dxj n ALA 232 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 3dxj n ALA 232 Cb 0.64 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 3dxj n ALA 232 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dxj s VAL 233 N 8.79 3.60 -0.75 0.00 1.01 -1.26 -4.83 120.40 126.96 3dxj s VAL 233 Ca 1.10 1.14 0.15 0.00 0.00 0.00 0.00 61.98 64.36 3dxj s VAL 233 Cb -0.70 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.09 3dxj s VAL 233 CO 0.42 0.08 1.45 0.00 0.00 0.00 0.00 175.10 177.05 3dxj n ALA 234 N 4.11 1.42 -0.26 5.51 0.00 -1.26 -3.10 120.51 126.93 3dxj n ALA 234 Ca 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 3dxj n ALA 234 Cb 0.44 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3dxj n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj h ALA 235 N 2.25 -0.25 -0.43 0.00 0.00 -2.00 -3.31 119.26 115.53 3dxj h ALA 235 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dxj h ALA 235 Cb 0.19 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dxj h ALA 235 CO 0.00 -0.80 0.19 -2.14 0.00 0.00 0.00 179.25 176.50 3dxj s PRO 236 N -5.83 1.81 -0.29 0.00 0.02 -1.18 -4.81 135.00 124.72 3dxj s PRO 236 Ca -0.14 0.26 -0.24 0.00 0.02 0.00 0.00 61.00 60.91 3dxj s PRO 236 Cb 0.14 -4.86 0.14 0.00 0.02 0.00 0.00 34.50 29.94 3dxj s PRO 236 CO 0.67 -4.25 1.09 -1.83 -0.33 0.00 0.00 177.00 172.35 3dxj s GLU 237 N 8.43 0.42 -1.16 5.54 -1.05 -1.25 -5.07 118.70 124.56 3dxj s GLU 237 Ca 0.87 0.53 -0.22 0.00 -0.15 0.00 0.00 54.97 55.99 3dxj s GLU 237 Cb -0.11 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.70 3dxj s GLU 237 CO 0.06 -0.05 1.91 -1.21 0.95 0.00 0.00 175.26 176.92 3dxj s GLU 238 N 0.36 2.66 -0.78 -4.83 2.02 -1.26 -4.76 118.70 112.10 3dxj s GLU 238 Ca 0.02 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 53.89 3dxj s GLU 238 Cb -0.05 -5.25 0.24 0.00 0.10 0.00 0.00 34.13 29.17 3dxj s GLU 238 CO -0.09 -3.73 0.84 0.00 0.02 0.00 0.00 175.26 172.31 3dxj n ALA 239 N 13.69 4.11 -1.45 5.21 0.00 -1.26 -5.02 120.51 135.79 3dxj n ALA 239 Ca 0.44 -4.71 -0.11 0.00 0.00 0.00 0.00 53.44 49.07 3dxj n ALA 239 Cb 0.47 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 3dxj n ALA 239 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dxj n LYS 240 N 1.41 0.08 0.00 0.00 5.02 -1.26 -4.44 118.16 118.97 3dxj n LYS 240 Ca 0.26 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.24 3dxj n LYS 240 Cb 0.38 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 32.09 3dxj n LYS 240 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3dxj n GLU 241 N 7.36 0.48 -0.52 1.97 4.07 -1.26 -5.15 120.64 127.59 3dxj n GLU 241 Ca 0.33 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.27 3dxj n GLU 241 Cb 0.47 -0.62 0.14 0.00 -0.06 0.00 0.00 31.44 31.37 3dxj n GLU 241 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3dxj n PRO 242 N -1.28 -2.23 0.00 5.31 -0.04 -1.26 -5.35 135.00 130.14 3dxj n PRO 242 Ca 0.00 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 3dxj n PRO 242 Cb 0.12 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3dxj n PRO 242 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55