#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj n LEU 2 N 0.00 0.26 -0.01 -0.89 4.77 -1.26 -5.02 117.00 114.86 3dxj n LEU 2 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3dxj n LEU 2 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3dxj n LEU 2 CO 0.00 0.00 -0.24 -0.90 -1.33 0.00 0.00 177.39 174.92 3dxj n ASP 3 N -0.30 1.14 -4.18 -1.43 5.75 -1.26 -5.05 116.55 111.22 3dxj n ASP 3 Ca 0.00 0.17 -0.35 0.00 -0.01 0.00 0.00 54.79 54.60 3dxj n ASP 3 Cb 0.00 -0.45 0.08 0.00 -1.03 0.00 0.00 41.12 39.72 3dxj n ASP 3 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3dxj n SER 4 N -3.59 -3.99 -4.56 -1.12 2.88 -1.26 -4.71 113.62 97.26 3dxj n SER 4 Ca -0.05 0.20 -0.24 0.00 -1.33 0.00 0.00 58.87 57.45 3dxj n SER 4 Cb 0.18 -0.93 -0.06 0.00 -0.75 0.00 0.00 64.21 62.65 3dxj n SER 4 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3dxj s LYS 5 N -2.75 2.32 0.00 -1.46 1.02 -1.26 -4.16 119.74 113.45 3dxj s LYS 5 Ca 0.47 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.12 3dxj s LYS 5 Cb -0.16 -5.05 0.00 0.00 -0.52 0.00 0.00 37.83 32.10 3dxj s LYS 5 CO 0.74 -3.78 0.80 -0.11 -0.92 0.00 0.00 175.35 172.08 3dxj n LEU 6 N 15.12 0.00 -4.32 3.17 7.94 -1.26 -4.10 117.00 133.55 3dxj n LEU 6 Ca 0.42 0.31 -0.45 0.00 -1.11 0.00 0.00 56.01 55.18 3dxj n LEU 6 Cb 0.46 -0.31 -0.06 0.00 0.53 0.00 0.00 43.42 44.04 3dxj n LEU 6 CO 0.60 -0.31 0.10 -0.54 -1.11 0.00 0.00 177.39 176.13 3dxj s LYS 7 N -2.61 2.95 -0.41 1.96 -0.14 -1.26 -4.85 119.74 115.38 3dxj s LYS 7 Ca 0.00 -1.63 -0.27 0.00 -1.36 0.00 0.00 55.97 52.71 3dxj s LYS 7 Cb 0.00 -4.23 -0.05 0.00 -1.68 0.00 0.00 37.83 31.88 3dxj s LYS 7 CO 0.00 -1.24 2.15 0.00 -0.76 0.00 0.00 175.35 175.50 3dxj s ALA 8 N 1.59 2.24 -0.10 5.17 0.00 -1.26 -4.72 121.76 124.69 3dxj s ALA 8 Ca 0.03 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3dxj s ALA 8 Cb -0.28 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 18.56 3dxj s ALA 8 CO 0.04 -3.58 0.48 -2.30 0.00 0.00 0.00 175.76 170.39 3dxj n PRO 9 N 8.87 0.00 -1.67 0.00 -0.02 -1.26 -4.71 135.00 136.20 3dxj n PRO 9 Ca 0.30 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.29 3dxj n PRO 9 Cb 0.50 -0.52 -0.05 0.00 -0.02 0.00 0.00 33.50 33.41 3dxj n PRO 9 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dxj n VAL 10 N 1.00 0.32 -3.65 -1.45 0.31 1.45 -4.58 118.33 111.73 3dxj n VAL 10 Ca 0.09 -0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.99 3dxj n VAL 10 Cb 0.00 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.21 3dxj n VAL 10 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3dxj s PHE 11 N 2.71 3.55 0.29 3.52 5.36 -1.26 -1.06 117.98 131.08 3dxj s PHE 11 Ca 0.88 -2.70 0.06 0.00 -0.96 0.00 0.00 56.93 54.20 3dxj s PHE 11 Cb -0.73 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 38.64 3dxj s PHE 11 CO 0.47 -0.83 0.41 0.95 -1.46 0.00 0.00 175.22 174.76 3dxj s THR 12 N -0.34 4.67 0.16 0.12 -4.23 -0.65 -4.99 115.64 110.39 3dxj s THR 12 Ca 0.19 -1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 3dxj s THR 12 Cb -0.16 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3dxj s THR 12 CO -0.06 -0.25 0.41 0.54 -0.54 0.00 0.00 174.62 174.72 3dxj s VAL 13 N -2.08 0.05 -0.30 2.29 0.11 -1.26 -1.34 120.40 117.87 3dxj s VAL 13 Ca 0.39 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 58.45 3dxj s VAL 13 Cb -0.09 -1.53 0.18 0.00 -1.53 0.00 0.00 36.38 33.40 3dxj s VAL 13 CO 0.30 -0.25 0.81 0.00 -3.33 0.00 0.00 175.10 172.63 3dxj s ARG 14 N -3.88 0.40 0.01 1.54 1.70 -0.46 -4.99 118.95 113.27 3dxj s ARG 14 Ca 0.10 0.78 -0.06 0.00 -0.47 0.00 0.00 55.73 56.08 3dxj s ARG 14 Cb 0.01 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3dxj s ARG 14 CO -0.05 -0.37 0.10 -0.08 -1.08 0.00 0.00 175.30 173.82 3dxj s THR 15 N 2.84 0.09 0.00 4.99 -1.32 -1.26 -0.41 115.64 120.57 3dxj s THR 15 Ca 0.08 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 3dxj s THR 15 Cb -0.12 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3dxj s THR 15 CO -0.17 -0.39 0.00 1.67 -2.21 0.00 0.00 174.62 173.52 3dxj n GLN 16 N 1.54 0.00 -0.54 7.08 7.27 -1.13 -4.99 117.38 126.60 3dxj n GLN 16 Ca -0.23 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.55 3dxj n GLN 16 Cb 0.56 0.00 0.22 0.00 2.41 0.00 0.00 30.24 33.42 3dxj n GLN 16 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dxj n GLY 17 N 4.32 -2.52 0.15 1.69 0.00 -1.26 -4.83 105.19 102.74 3dxj n GLY 17 Ca 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.12 3dxj n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dxj h ARG 18 N -2.53 0.00 0.19 1.61 3.08 -1.94 -3.29 114.38 111.51 3dxj h ARG 18 Ca -0.54 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.18 3dxj h ARG 18 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.37 3dxj h ARG 18 CO 0.39 0.00 -1.58 0.93 -1.07 0.00 0.00 179.97 178.64 3dxj h GLU 19 N 0.00 0.41 -3.98 0.04 5.08 -1.86 -3.38 114.58 110.90 3dxj h GLU 19 Ca 0.00 -0.69 -0.15 0.00 -1.00 0.00 0.00 59.36 57.52 3dxj h GLU 19 Cb 0.51 0.26 -0.19 0.00 0.50 0.00 0.00 28.75 29.83 3dxj h GLU 19 CO 0.00 1.31 -0.65 -0.47 -1.00 0.00 0.00 179.01 178.21 3dxj s TYR 20 N -2.60 0.30 -0.17 4.33 5.04 -1.24 -0.89 117.35 122.11 3dxj s TYR 20 Ca -0.11 -0.63 -0.30 0.00 -2.44 0.00 0.00 57.07 53.59 3dxj s TYR 20 Cb 0.05 -0.22 0.13 0.00 0.35 0.00 0.00 41.96 42.27 3dxj s TYR 20 CO 0.89 -0.28 1.01 0.20 -1.34 0.00 0.00 175.55 176.03 3dxj s GLY 21 N -1.93 -0.25 0.05 8.97 0.00 -1.13 -2.86 107.32 110.17 3dxj s GLY 21 Ca -0.08 2.09 0.02 0.00 0.00 0.00 0.00 44.72 46.74 3dxj s GLY 21 CO -0.04 1.07 0.10 -0.54 0.00 0.00 0.00 173.10 173.69 3dxj s GLU 22 N -1.05 3.02 -0.03 2.90 2.02 0.45 -2.32 118.70 123.69 3dxj s GLU 22 Ca -0.01 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.40 3dxj s GLU 22 Cb -0.01 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.43 3dxj s GLU 22 CO 0.01 0.60 -0.05 -0.06 0.02 0.00 0.00 175.26 175.77 3dxj s PHE 23 N -1.35 0.70 0.07 1.61 0.40 0.23 -1.35 117.98 118.28 3dxj s PHE 23 Ca 0.28 -0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.50 3dxj s PHE 23 Cb -0.12 -0.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 3dxj s PHE 23 CO 0.21 -0.12 -0.17 0.08 0.70 0.00 0.00 175.22 175.92 3dxj s VAL 24 N 0.53 1.33 -0.21 -0.44 1.01 -0.45 0.18 120.40 122.34 3dxj s VAL 24 Ca -0.07 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 3dxj s VAL 24 Cb -0.10 -1.22 0.11 0.00 0.00 0.00 0.00 36.38 35.16 3dxj s VAL 24 CO 0.00 -0.06 0.34 -0.22 0.00 0.00 0.00 175.10 175.16 3dxj s LEU 25 N -1.52 -0.48 0.08 3.92 2.96 -0.72 -1.64 118.68 121.27 3dxj s LEU 25 Ca 0.02 0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 54.14 3dxj s LEU 25 Cb -0.09 0.95 0.00 0.00 0.50 0.00 0.00 46.19 47.55 3dxj s LEU 25 CO 0.02 -0.29 0.22 -1.83 -1.32 0.00 0.00 176.35 173.16 3dxj s GLU 26 N 2.49 0.83 0.27 1.98 -1.05 -0.22 -2.65 118.70 120.34 3dxj s GLU 26 Ca 0.08 -0.83 -0.13 0.00 -0.15 0.00 0.00 54.97 53.94 3dxj s GLU 26 Cb -0.14 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 33.81 3dxj s GLU 26 CO -0.14 -0.26 0.64 -1.25 0.95 0.00 0.00 175.26 175.20 3dxj s PRO 27 N -3.46 3.92 0.02 -4.83 0.04 -1.26 0.43 135.00 129.85 3dxj s PRO 27 Ca 0.02 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.60 3dxj s PRO 27 Cb 0.03 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3dxj s PRO 27 CO -0.09 0.26 -0.18 -0.51 0.04 0.00 0.00 177.00 176.52 3dxj s LEU 28 N -2.81 2.11 0.26 -3.56 1.43 -0.71 -4.30 118.68 111.10 3dxj s LEU 28 Ca 0.50 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 3dxj s LEU 28 Cb -0.11 -0.88 -0.13 0.00 0.03 0.00 0.00 46.19 45.10 3dxj s LEU 28 CO 0.19 0.16 1.49 1.21 0.23 0.00 0.00 176.35 179.64 3dxj n GLU 29 N 2.22 2.30 -0.51 1.70 4.07 -1.26 0.23 120.64 129.38 3dxj n GLU 29 Ca -0.16 0.82 -0.20 0.00 -0.06 0.00 0.00 57.16 57.55 3dxj n GLU 29 Cb 0.54 -2.53 -0.03 0.00 -0.06 0.00 0.00 31.44 29.36 3dxj n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3dxj n ARG 30 N 2.17 0.00 0.00 5.31 0.63 -1.24 -1.55 116.66 121.98 3dxj n ARG 30 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3dxj n ARG 30 Cb 0.33 -0.51 0.00 0.00 0.45 0.00 0.00 32.46 32.73 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 0.52 1.22 0.11 5.14 0.00 -1.26 -4.83 105.19 106.09 3dxj n GLY 31 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 3dxj n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dxj n PHE 32 N 0.00 0.37 -0.33 1.61 3.01 -0.60 0.77 117.46 122.29 3dxj n PHE 32 Ca 0.00 0.40 0.29 0.00 1.01 0.00 0.00 57.45 59.16 3dxj n PHE 32 Cb 0.00 -0.85 0.55 0.00 -0.01 0.00 0.00 39.48 39.17 3dxj n PHE 32 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3dxj h GLY 33 N 0.00 2.17 0.19 1.37 0.00 -1.88 0.56 103.07 105.48 3dxj h GLY 33 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3dxj h GLY 33 CO -0.27 -0.67 -0.05 -2.08 0.00 0.00 0.00 176.54 173.46 3dxj h VAL 34 N 0.13 0.82 0.00 4.60 2.07 -0.05 0.38 116.25 124.20 3dxj h VAL 34 Ca 0.81 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dxj h VAL 34 Cb 2.04 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 3dxj h VAL 34 CO -0.70 0.25 0.60 0.41 0.02 0.00 0.00 177.57 178.15 3dxj n THR 35 N -4.83 0.15 0.04 2.57 -1.04 0.18 -1.71 114.28 109.64 3dxj n THR 35 Ca -0.06 0.68 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 3dxj n THR 35 Cb 0.25 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 3dxj n THR 35 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 36 N -1.59 0.92 0.00 -4.42 4.32 -0.10 -4.61 117.00 111.53 3dxj n LEU 36 Ca -0.00 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 3dxj n LEU 36 Cb 0.60 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 3dxj n LEU 36 CO 0.01 -0.72 0.26 0.61 -1.22 0.00 0.00 177.39 176.33 3dxj n GLY 37 N 3.47 -2.31 0.00 -0.72 0.00 0.13 -0.83 105.19 104.93 3dxj n GLY 37 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.86 0.00 -0.16 1.61 5.15 -0.89 -0.22 115.26 118.89 3dxj n ASN 38 Ca 0.00 0.87 0.03 0.00 -0.60 0.00 0.00 54.58 54.89 3dxj n ASN 38 Cb 0.00 -0.37 0.07 0.00 -0.53 0.00 0.00 39.78 38.95 3dxj n ASN 38 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3dxj n PRO 39 N -2.33 -0.04 0.25 1.20 -0.02 -0.80 0.86 135.00 134.13 3dxj n PRO 39 Ca 0.00 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3dxj n PRO 39 Cb 0.00 -1.03 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 3dxj n PRO 39 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dxj h LEU 40 N 0.00 -0.58 -0.91 2.45 3.38 0.52 -3.25 115.31 116.91 3dxj h LEU 40 Ca 0.22 -0.02 0.33 0.00 0.09 0.00 0.00 57.88 58.51 3dxj h LEU 40 Cb 0.37 0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.10 3dxj h LEU 40 CO -0.45 -0.17 0.31 -1.14 0.09 0.00 0.00 178.44 177.08 3dxj n ARG 41 N -5.24 -0.06 0.45 1.13 0.63 0.25 -0.21 116.66 113.60 3dxj n ARG 41 Ca -0.09 1.30 -0.19 0.00 -0.92 0.00 0.00 57.85 57.95 3dxj n ARG 41 Cb 0.29 -2.23 -0.09 0.00 0.45 0.00 0.00 32.46 30.88 3dxj n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dxj h ARG 42 N 0.00 -1.07 -0.57 -0.14 3.08 -1.40 -2.44 114.38 111.84 3dxj h ARG 42 Ca 0.69 0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.92 3dxj h ARG 42 Cb 1.71 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 31.91 3dxj h ARG 42 CO -0.76 -0.71 0.07 0.82 -1.07 0.00 0.00 179.97 178.31 3dxj h ILE 43 N -1.12 0.61 0.00 2.04 2.04 -0.63 -0.81 117.51 119.64 3dxj h ILE 43 Ca -0.11 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3dxj h ILE 43 Cb 0.85 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3dxj h ILE 43 CO 0.19 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3dxj n LEU 44 N -5.18 0.00 -0.04 1.44 4.77 -0.49 0.16 117.00 117.65 3dxj n LEU 44 Ca 0.08 0.90 0.24 0.00 -0.03 0.00 0.00 56.01 57.20 3dxj n LEU 44 Cb 0.31 -0.40 0.66 0.00 -2.33 0.00 0.00 43.42 41.66 3dxj n LEU 44 CO 0.16 -0.40 1.22 -0.07 -1.33 0.00 0.00 177.39 176.97 3dxj h LEU 45 N 0.00 0.00 0.00 2.23 3.38 -1.25 -3.17 115.31 116.50 3dxj h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dxj h LEU 45 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dxj h LEU 45 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3dxj n SER 46 N -3.60 0.00 0.00 -0.43 3.41 -0.33 -4.82 113.62 107.86 3dxj n SER 46 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3dxj n SER 46 Cb 0.95 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.79 0.00 -4.71 4.04 7.64 0.42 -4.01 113.62 116.20 3dxj n SER 47 Ca 0.00 0.06 -0.40 0.00 1.01 0.00 0.00 58.87 59.54 3dxj n SER 47 Cb 0.00 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.70 5.02 0.13 0.44 -1.09 -1.13 -4.97 121.20 117.90 3dxj s ILE 48 Ca 0.00 1.52 -0.30 0.00 -2.23 0.00 0.00 60.65 59.64 3dxj s ILE 48 Cb 0.00 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 3dxj s ILE 48 CO 0.00 0.23 1.05 -2.84 -1.23 0.00 0.00 174.94 172.15 3dxj s PRO 49 N 0.87 4.62 0.27 2.79 0.02 -1.26 -3.53 135.00 138.79 3dxj s PRO 49 Ca 0.39 1.60 0.04 0.00 0.02 0.00 0.00 61.00 63.05 3dxj s PRO 49 Cb -0.18 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 30.99 3dxj s PRO 49 CO 0.19 0.10 0.28 0.41 -0.33 0.00 0.00 177.00 177.65 3dxj n GLY 50 N 2.27 2.86 3.73 0.52 0.00 0.74 -4.60 105.19 110.70 3dxj n GLY 50 Ca 0.03 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.97 4.38 -0.01 2.61 -4.23 -1.26 0.11 115.64 114.27 3dxj s THR 51 Ca 0.29 -0.64 -0.28 0.00 -1.18 0.00 0.00 61.69 59.88 3dxj s THR 51 Cb 0.01 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 70.93 3dxj s THR 51 CO 0.21 0.28 0.84 0.00 -0.54 0.00 0.00 174.62 175.40 3dxj s ALA 52 N -1.21 -1.80 -0.24 3.99 0.00 0.24 -4.68 121.76 118.06 3dxj s ALA 52 Ca 0.23 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 3dxj s ALA 52 Cb -0.12 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3dxj s ALA 52 CO 0.15 -0.61 1.66 0.08 0.00 0.00 0.00 175.76 177.04 3dxj s VAL 53 N -2.71 3.63 0.04 0.00 1.01 -1.26 -0.33 120.40 120.78 3dxj s VAL 53 Ca 0.02 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.73 3dxj s VAL 53 Cb -0.01 -3.68 -0.24 0.00 0.00 0.00 0.00 36.38 32.45 3dxj s VAL 53 CO -0.06 -0.31 0.98 0.74 0.00 0.00 0.00 175.10 176.45 3dxj h THR 54 N 6.28 1.31 -1.78 3.92 2.02 -1.18 -3.41 112.91 120.08 3dxj h THR 54 Ca -0.34 -3.02 0.31 0.00 0.77 0.00 0.00 66.41 64.13 3dxj h THR 54 Cb 1.16 2.73 -0.10 0.00 -1.74 0.00 0.00 68.15 70.21 3dxj h THR 54 CO 1.01 0.81 0.81 -0.94 0.37 0.00 0.00 175.52 177.57 3dxj s SER 55 N -6.72 -0.04 -0.17 4.18 1.04 -1.21 -1.31 113.70 109.47 3dxj s SER 55 Ca -0.04 -0.22 -0.18 0.00 0.48 0.00 0.00 55.95 55.99 3dxj s SER 55 Cb 0.08 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.46 3dxj s SER 55 CO 0.84 -0.39 0.50 -0.69 0.98 0.00 0.00 173.24 174.48 3dxj s VAL 56 N -2.35 0.00 0.10 5.02 1.01 0.30 -0.66 120.40 123.83 3dxj s VAL 56 Ca 0.19 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.21 3dxj s VAL 56 Cb 0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3dxj s VAL 56 CO -0.02 -0.02 -0.15 -0.47 0.00 0.00 0.00 175.10 174.44 3dxj s TYR 57 N 0.06 2.62 -0.01 5.22 5.04 0.70 -1.39 117.35 129.59 3dxj s TYR 57 Ca -0.02 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.40 3dxj s TYR 57 Cb -0.03 -1.40 0.01 0.00 0.35 0.00 0.00 41.96 40.88 3dxj s TYR 57 CO 0.02 0.38 -0.00 0.42 -1.34 0.00 0.00 175.55 175.02 3dxj s ILE 58 N -1.13 0.09 0.00 3.14 1.01 -1.26 0.12 121.20 123.16 3dxj s ILE 58 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3dxj s ILE 58 Cb -0.11 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3dxj s ILE 58 CO 0.11 0.06 0.06 1.21 0.00 0.00 0.00 174.94 176.37 3dxj n GLU 59 N 3.41 0.00 -1.16 2.79 4.07 -0.87 -2.86 120.64 126.02 3dxj n GLU 59 Ca -0.17 0.06 -0.18 0.00 -0.06 0.00 0.00 57.16 56.80 3dxj n GLU 59 Cb 0.56 -0.17 0.16 0.00 -0.06 0.00 0.00 31.44 31.93 3dxj n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3dxj n ASP 60 N -0.32 4.03 -4.98 4.31 8.00 -1.26 -4.96 116.55 121.37 3dxj n ASP 60 Ca 0.00 -3.73 -0.20 0.00 0.71 0.00 0.00 54.79 51.57 3dxj n ASP 60 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 3dxj n ASP 60 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dxj s VAL 61 N -3.67 3.96 0.00 2.53 -7.23 -1.13 -5.03 120.40 109.83 3dxj s VAL 61 Ca 0.53 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3dxj s VAL 61 Cb 0.45 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3dxj s VAL 61 CO 0.04 -0.21 0.00 0.18 -0.31 0.00 0.00 175.10 174.80 3dxj n LEU 62 N -1.82 0.40 -4.40 1.32 4.77 -1.26 -4.88 117.00 111.13 3dxj n LEU 62 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 3dxj n LEU 62 Cb 0.58 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 3dxj n LEU 62 CO 0.44 0.01 -0.25 -1.38 -1.33 0.00 0.00 177.39 174.88 3dxj s HIS 63 N -1.98 1.75 -1.25 -1.77 -3.43 -1.26 -4.72 115.29 102.64 3dxj s HIS 63 Ca 0.00 -1.11 0.15 0.00 -0.80 0.00 0.00 55.06 53.30 3dxj s HIS 63 Cb 0.00 -1.09 0.69 0.00 -1.43 0.00 0.00 32.58 30.75 3dxj s HIS 63 CO 0.00 -0.20 1.43 -1.91 -2.00 0.00 0.00 174.74 172.06 3dxj n GLU 64 N -0.61 0.12 -0.65 -0.38 2.13 -1.26 -2.28 120.64 117.70 3dxj n GLU 64 Ca -0.01 0.19 0.08 0.00 0.66 0.00 0.00 57.16 58.08 3dxj n GLU 64 Cb 0.66 -1.50 0.34 0.00 0.27 0.00 0.00 31.44 31.21 3dxj n GLU 64 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3dxj n PHE 65 N -1.38 1.51 -1.89 4.31 3.01 -1.26 -3.82 117.46 117.94 3dxj n PHE 65 Ca 0.05 -0.73 -0.30 0.00 1.01 0.00 0.00 57.45 57.49 3dxj n PHE 65 Cb 0.14 -0.36 0.19 0.00 -0.01 0.00 0.00 39.48 39.44 3dxj n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3dxj s SER 66 N -1.17 3.00 -0.16 4.37 0.01 -0.97 -5.00 113.70 113.78 3dxj s SER 66 Ca 0.48 0.29 -0.07 0.00 1.31 0.00 0.00 55.95 57.96 3dxj s SER 66 Cb 0.36 -0.34 0.07 0.00 0.21 0.00 0.00 66.02 66.31 3dxj s SER 66 CO 0.16 -2.81 0.37 0.28 0.41 0.00 0.00 173.24 171.65 3dxj s THR 67 N -3.84 -0.28 0.09 1.44 -1.32 -1.26 -3.77 115.64 106.69 3dxj s THR 67 Ca 0.74 0.15 -0.11 0.00 -1.21 0.00 0.00 61.69 61.26 3dxj s THR 67 Cb -0.04 -0.57 -0.06 0.00 -1.51 0.00 0.00 72.50 70.32 3dxj s THR 67 CO 0.53 0.06 0.43 -0.63 -2.21 0.00 0.00 174.62 172.80 3dxj s ILE 68 N 1.91 5.05 0.20 5.08 1.01 -1.26 -5.06 121.20 128.12 3dxj s ILE 68 Ca -0.05 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 3dxj s ILE 68 Cb -0.10 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 3dxj s ILE 68 CO -0.12 0.30 0.66 -2.16 0.00 0.00 0.00 174.94 173.62 3dxj s PRO 69 N -1.86 4.14 0.00 2.79 0.04 -1.26 -3.60 135.00 135.25 3dxj s PRO 69 Ca 0.33 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3dxj s PRO 69 Cb -0.14 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3dxj s PRO 69 CO 0.18 0.42 0.00 0.41 0.04 0.00 0.00 177.00 178.04 3dxj n GLY 70 N 0.71 2.11 3.11 0.56 0.00 -1.26 -4.42 105.19 106.00 3dxj n GLY 70 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.30 2.61 0.17 1.61 1.01 -1.24 0.76 120.40 122.02 3dxj s VAL 71 Ca 0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 3dxj s VAL 71 Cb 0.00 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.82 3dxj s VAL 71 CO 0.00 -0.20 1.57 0.50 0.00 0.00 0.00 175.10 176.97 3dxj h LYS 72 N 7.86 -0.23 -7.36 2.72 3.64 -1.82 -3.44 116.57 117.95 3dxj h LYS 72 Ca -0.17 0.02 -0.44 0.00 -1.27 0.00 0.00 60.65 58.78 3dxj h LYS 72 Cb 1.05 0.05 0.17 0.00 -0.41 0.00 0.00 32.23 33.09 3dxj h LYS 72 CO 0.52 -0.16 0.17 -1.21 -2.27 0.00 0.00 179.45 176.50 3dxj s GLU 73 N -5.84 -0.05 0.11 1.90 2.02 -1.26 -5.05 118.70 110.52 3dxj s GLU 73 Ca -0.14 0.38 -0.08 0.00 0.02 0.00 0.00 54.97 55.14 3dxj s GLU 73 Cb 0.13 -1.69 -0.06 0.00 0.10 0.00 0.00 34.13 32.61 3dxj s GLU 73 CO 0.66 -3.02 0.40 -0.51 0.02 0.00 0.00 175.26 172.81 3dxj s ASP 74 N -3.52 6.59 0.24 -0.19 1.01 -1.26 -4.57 116.67 114.97 3dxj s ASP 74 Ca 0.67 0.74 -0.08 0.00 0.71 0.00 0.00 52.55 54.58 3dxj s ASP 74 Cb -0.17 -2.15 0.40 0.00 1.01 0.00 0.00 42.92 42.00 3dxj s ASP 74 CO 0.58 0.12 1.64 0.58 0.21 0.00 0.00 175.17 178.30 3dxj h VAL 75 N 2.58 0.36 0.58 -1.27 2.07 -1.82 -2.09 116.25 116.66 3dxj h VAL 75 Ca -0.48 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3dxj h VAL 75 Cb 1.18 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3dxj h VAL 75 CO 0.68 0.02 -0.31 0.58 0.02 0.00 0.00 177.57 178.56 3dxj h VAL 76 N 0.10 0.36 -0.95 2.57 2.07 -1.86 -2.67 116.25 115.86 3dxj h VAL 76 Ca 0.39 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.03 3dxj h VAL 76 Cb 0.67 0.36 -0.14 0.00 -1.52 0.00 0.00 31.29 30.66 3dxj h VAL 76 CO -0.64 0.00 -0.44 1.21 0.02 0.00 0.00 177.57 177.71 3dxj n GLU 77 N -5.46 -0.30 -0.34 1.57 4.07 -0.82 0.67 120.64 120.04 3dxj n GLU 77 Ca -0.13 1.45 -0.09 0.00 -0.06 0.00 0.00 57.16 58.33 3dxj n GLU 77 Cb 0.35 -2.14 -0.08 0.00 -0.06 0.00 0.00 31.44 29.50 3dxj n GLU 77 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3dxj h ILE 78 N 0.00 0.00 -0.05 6.31 2.04 -1.23 0.98 117.51 125.55 3dxj h ILE 78 Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 3dxj h ILE 78 Cb 0.50 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3dxj h ILE 78 CO -0.92 0.00 -0.37 0.40 0.00 0.00 0.00 178.15 177.26 3dxj h ILE 79 N -0.02 0.00 -0.92 -0.67 2.04 0.57 0.65 117.51 119.16 3dxj h ILE 79 Ca 0.13 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.15 3dxj h ILE 79 Cb 0.36 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.28 3dxj h ILE 79 CO -0.78 0.00 -0.30 0.18 0.00 0.00 0.00 178.15 177.25 3dxj n LEU 80 N -4.51 -0.47 0.01 1.44 4.77 0.77 0.12 117.00 119.13 3dxj n LEU 80 Ca -0.05 1.59 -0.10 0.00 -0.03 0.00 0.00 56.01 57.43 3dxj n LEU 80 Cb 0.26 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3dxj n LEU 80 CO 0.07 -1.47 0.50 0.78 -1.33 0.00 0.00 177.39 175.94 3dxj h ASN 81 N 0.00 -1.05 -1.27 -1.43 -0.26 0.40 0.35 115.58 112.32 3dxj h ASN 81 Ca 0.37 0.12 0.37 0.00 -0.56 0.00 0.00 56.30 56.60 3dxj h ASN 81 Cb 0.60 0.41 -0.08 0.00 -1.06 0.00 0.00 38.32 38.19 3dxj h ASN 81 CO -0.93 -0.31 0.87 -0.07 -1.06 0.00 0.00 177.43 175.93 3dxj h LEU 82 N -0.39 0.18 -2.10 1.61 3.38 0.64 1.11 115.31 119.74 3dxj h LEU 82 Ca 0.01 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3dxj h LEU 82 Cb 0.43 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3dxj h LEU 82 CO -0.25 -0.01 0.33 0.11 0.09 0.00 0.00 178.44 178.70 3dxj h LYS 83 N 0.13 0.00 0.00 1.13 1.79 0.17 0.43 116.57 120.22 3dxj h LYS 83 Ca 0.67 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.14 3dxj h LYS 83 Cb 2.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.94 3dxj h LYS 83 CO -0.18 0.00 -0.20 0.93 -1.08 0.00 0.00 179.45 178.92 3dxj h GLU 84 N 0.00 0.00 -6.46 3.15 4.39 0.13 -3.47 114.58 112.32 3dxj h GLU 84 Ca 0.11 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.28 3dxj h GLU 84 Cb 0.77 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.45 3dxj h GLU 84 CO -0.00 0.00 1.11 -1.17 -1.16 0.00 0.00 179.01 177.78 3dxj s LEU 85 N -5.87 4.39 -0.11 1.33 2.96 0.15 -5.00 118.68 116.54 3dxj s LEU 85 Ca 0.06 2.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.66 3dxj s LEU 85 Cb 0.07 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 3dxj s LEU 85 CO 0.69 -0.98 -0.19 0.54 -1.32 0.00 0.00 176.35 175.09 3dxj s VAL 86 N 3.04 2.57 0.05 1.68 0.11 -1.26 -4.78 120.40 121.81 3dxj s VAL 86 Ca 0.80 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3dxj s VAL 86 Cb -0.44 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 3dxj s VAL 86 CO 0.36 0.55 -0.07 0.68 -3.33 0.00 0.00 175.10 173.28 3dxj s VAL 87 N 0.24 0.53 -0.01 2.04 -7.23 -1.26 -1.35 120.40 113.36 3dxj s VAL 87 Ca -0.12 -1.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 3dxj s VAL 87 Cb -0.16 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 3dxj s VAL 87 CO 0.07 -0.45 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.63 3dxj s ARG 88 N -1.85 2.29 -0.37 4.82 3.52 0.14 -4.71 118.95 122.78 3dxj s ARG 88 Ca -0.08 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.58 3dxj s ARG 88 Cb -0.08 -2.26 0.02 0.00 -1.56 0.00 0.00 34.95 31.07 3dxj s ARG 88 CO -0.00 0.58 0.20 -0.06 -0.81 0.00 0.00 175.30 175.21 3dxj s PHE 89 N -0.79 3.24 0.35 5.12 0.08 -1.26 -1.13 117.98 123.58 3dxj s PHE 89 Ca 0.13 -0.90 0.05 0.00 0.12 0.00 0.00 56.93 56.32 3dxj s PHE 89 Cb -0.10 -2.44 0.64 0.00 -0.57 0.00 0.00 43.02 40.55 3dxj s PHE 89 CO 0.02 -0.62 1.90 -0.07 -0.10 0.00 0.00 175.22 176.35 3dxj h LEU 90 N 8.43 0.49 -9.04 -0.37 3.38 -1.58 -3.41 115.31 113.22 3dxj h LEU 90 Ca -0.26 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.01 3dxj h LEU 90 Cb 1.11 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 3dxj h LEU 90 CO 0.66 0.53 -0.33 0.21 0.09 0.00 0.00 178.44 179.60 3dxj s ASN 91 N -6.73 6.24 0.65 -0.43 2.47 -1.26 -4.96 114.94 110.92 3dxj s ASN 91 Ca -0.08 0.27 0.43 0.00 0.42 0.00 0.00 52.86 53.91 3dxj s ASN 91 Cb 0.16 -2.18 2.30 0.00 -1.45 0.00 0.00 41.25 40.08 3dxj s ASN 91 CO 0.76 -0.06 2.33 -0.65 -3.72 0.00 0.00 177.10 175.76 3dxj h PRO 92 N 7.76 0.00 -0.31 0.43 0.11 -2.00 -1.24 132.00 136.75 3dxj h PRO 92 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3dxj h PRO 92 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dxj h PRO 92 CO 0.66 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.88 3dxj n SER 93 N -3.13 0.77 -4.76 -2.05 7.64 -1.26 -4.78 113.62 106.05 3dxj n SER 93 Ca -0.03 -2.03 -0.36 0.00 1.01 0.00 0.00 58.87 57.46 3dxj n SER 93 Cb 0.10 -0.18 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.83 4.27 -0.03 -3.43 1.43 -0.47 -4.97 118.68 114.65 3dxj s LEU 94 Ca 0.06 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3dxj s LEU 94 Cb 0.04 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3dxj s LEU 94 CO 0.04 0.19 0.02 0.00 0.23 0.00 0.00 176.35 176.83 3dxj n GLN 95 N 3.19 2.96 -3.91 1.70 1.13 -1.26 -4.89 117.38 116.29 3dxj n GLN 95 Ca -0.15 -0.01 -0.11 0.00 -1.94 0.00 0.00 57.00 54.80 3dxj n GLN 95 Cb 0.52 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.79 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 -2.10 0.00 0.00 5.09 -1.32 -1.26 -1.64 115.64 114.41 3dxj s THR 96 Ca -0.01 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 3dxj s THR 96 Cb 0.01 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 3dxj s THR 96 CO 0.13 0.00 0.00 0.55 -2.21 0.00 0.00 174.62 173.09 3dxj n VAL 97 N -0.55 0.00 -3.80 5.08 3.14 -0.75 -4.99 118.33 116.46 3dxj n VAL 97 Ca -0.05 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.98 3dxj n VAL 97 Cb 0.60 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.29 3dxj n VAL 97 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3dxj s THR 98 N -0.67 5.08 -0.23 1.55 2.01 -1.26 -0.82 115.64 121.30 3dxj s THR 98 Ca 0.00 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 3dxj s THR 98 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3dxj s THR 98 CO 0.00 0.40 0.34 -0.76 -0.69 0.00 0.00 174.62 173.91 3dxj s LEU 99 N 0.74 4.12 0.45 4.42 1.43 -0.82 -4.84 118.68 124.17 3dxj s LEU 99 Ca 0.06 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.43 3dxj s LEU 99 Cb -0.13 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 3dxj s LEU 99 CO 0.02 -0.07 0.80 -0.76 0.23 0.00 0.00 176.35 176.56 3dxj s LEU 100 N 1.44 3.72 -0.30 1.79 1.43 -1.26 -1.30 118.68 124.20 3dxj s LEU 100 Ca 0.15 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 3dxj s LEU 100 Cb -0.15 -4.01 0.19 0.00 0.03 0.00 0.00 46.19 42.24 3dxj s LEU 100 CO 0.08 -0.49 1.18 -0.22 0.23 0.00 0.00 176.35 177.12 3dxj s LEU 101 N -4.24 -0.24 -0.03 1.79 2.96 -1.04 -1.38 118.68 116.49 3dxj s LEU 101 Ca 0.50 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 3dxj s LEU 101 Cb -0.10 1.29 0.00 0.00 0.50 0.00 0.00 46.19 47.88 3dxj s LEU 101 CO 0.37 -0.05 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.71 3dxj s LYS 102 N 2.03 1.12 0.14 1.98 1.02 -1.26 -0.43 119.74 124.34 3dxj s LYS 102 Ca -0.02 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.67 3dxj s LYS 102 Cb -0.03 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3dxj s LYS 102 CO -0.16 0.11 0.12 0.00 -0.92 0.00 0.00 175.35 174.50 3dxj n ALA 103 N 3.38 0.31 0.00 5.17 0.00 0.68 -4.93 120.51 125.11 3dxj n ALA 103 Ca -0.19 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3dxj n ALA 103 Cb 0.54 0.67 0.00 0.00 0.00 0.00 0.00 19.45 20.66 3dxj n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dxj n GLU 104 N -0.27 -1.16 -1.35 0.00 2.13 -1.26 -0.28 120.64 118.45 3dxj n GLU 104 Ca 0.03 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.01 3dxj n GLU 104 Cb 0.26 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.89 3dxj n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dxj n GLY 105 N -0.23 -2.87 3.51 8.31 0.00 -0.67 -4.63 105.19 108.60 3dxj n GLY 105 Ca 0.00 -0.89 -0.49 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.19 1.38 0.00 1.61 -0.04 -1.24 -4.43 135.00 128.09 3dxj n PRO 106 Ca -0.08 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3dxj n PRO 106 Cb 0.61 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 8.08 0.00 -1.56 0.54 2.85 -0.36 -4.96 118.16 122.76 3dxj n LYS 107 Ca 0.36 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.33 3dxj n LYS 107 Cb 0.28 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.84 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 -1.85 0.28 -0.02 -1.58 2.12 -1.26 -0.36 118.70 116.03 3dxj s GLU 108 Ca 0.00 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.26 3dxj s GLU 108 Cb 0.00 -1.77 0.01 0.00 0.26 0.00 0.00 34.13 32.63 3dxj s GLU 108 CO 0.00 -2.71 -0.03 0.08 -0.54 0.00 0.00 175.26 172.06 3dxj s VAL 109 N -3.43 0.36 0.41 3.70 1.01 0.38 -4.77 120.40 118.05 3dxj s VAL 109 Ca 0.70 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.61 3dxj s VAL 109 Cb -0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3dxj s VAL 109 CO 0.54 0.15 0.08 -0.54 0.00 0.00 0.00 175.10 175.32 3dxj s LYS 110 N 0.49 1.91 0.09 2.72 -0.14 -1.26 0.82 119.74 124.37 3dxj s LYS 110 Ca -0.05 -2.14 -0.15 0.00 -1.36 0.00 0.00 55.97 52.26 3dxj s LYS 110 Cb -0.09 -0.94 -0.10 0.00 -1.68 0.00 0.00 37.83 35.02 3dxj s LYS 110 CO -0.01 -0.34 1.38 0.00 -0.76 0.00 0.00 175.35 175.63 3dxj h ALA 111 N 1.79 0.38 0.00 5.17 0.00 -0.93 -2.99 119.26 122.68 3dxj h ALA 111 Ca -0.39 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3dxj h ALA 111 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dxj h ALA 111 CO 0.66 0.45 0.00 2.89 0.00 0.00 0.00 179.25 183.24 3dxj n ARG 112 N -4.23 0.00 0.00 0.00 1.85 0.17 -0.36 116.66 114.09 3dxj n ARG 112 Ca -0.05 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.91 3dxj n ARG 112 Cb 0.51 -0.99 -0.03 0.00 -1.05 0.00 0.00 32.46 30.90 3dxj n ARG 112 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3dxj n ASP 113 N -0.33 0.96 -4.77 2.89 8.00 -1.13 -4.95 116.55 117.21 3dxj n ASP 113 Ca 0.00 -0.88 -0.33 0.00 0.71 0.00 0.00 54.79 54.29 3dxj n ASP 113 Cb 0.00 0.81 0.04 0.00 -0.02 0.00 0.00 41.12 41.95 3dxj n ASP 113 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dxj s PHE 114 N -2.96 2.66 -0.40 1.24 0.40 0.52 -4.77 117.98 114.67 3dxj s PHE 114 Ca 0.09 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.68 3dxj s PHE 114 Cb 0.16 -3.17 0.01 0.00 0.51 0.00 0.00 43.02 40.53 3dxj s PHE 114 CO 0.81 -1.63 1.48 -0.51 0.70 0.00 0.00 175.22 176.07 3dxj s LEU 115 N -4.72 3.57 0.59 -0.37 1.43 -0.48 -4.95 118.68 113.75 3dxj s LEU 115 Ca 0.67 0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 54.50 3dxj s LEU 115 Cb -0.20 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 3dxj s LEU 115 CO 0.40 -1.48 0.20 -0.81 0.23 0.00 0.00 176.35 174.89 3dxj n PRO 116 N 8.14 0.26 -3.85 1.29 -0.04 -1.26 -4.58 135.00 134.95 3dxj n PRO 116 Ca 0.18 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 3dxj n PRO 116 Cb 0.48 -1.41 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 3dxj n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dxj s VAL 117 N -1.87 0.02 0.55 0.52 1.01 -1.26 -5.07 120.40 114.30 3dxj s VAL 117 Ca 0.62 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 3dxj s VAL 117 Cb -0.44 -0.19 -0.07 0.00 0.00 0.00 0.00 36.38 35.68 3dxj s VAL 117 CO 0.61 -0.10 0.91 0.00 0.00 0.00 0.00 175.10 176.52 3dxj n ALA 118 N 2.69 -0.01 -1.83 5.51 0.00 -1.26 -2.27 120.51 123.34 3dxj n ALA 118 Ca -0.15 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 3dxj n ALA 118 Cb 0.58 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.23 -3.09 -3.96 0.00 8.00 -1.26 -4.93 116.55 111.07 3dxj n ASP 119 Ca 0.12 0.25 -0.27 0.00 0.71 0.00 0.00 54.79 55.60 3dxj n ASP 119 Cb 0.45 -2.82 -0.17 0.00 -0.02 0.00 0.00 41.12 38.57 3dxj n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dxj s VAL 120 N -2.18 1.21 -0.09 2.53 1.01 -0.96 -1.29 120.40 120.62 3dxj s VAL 120 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3dxj s VAL 120 Cb 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3dxj s VAL 120 CO 0.00 0.39 -0.10 -0.70 0.00 0.00 0.00 175.10 174.69 3dxj s GLU 121 N 1.43 1.63 0.29 2.72 2.12 -0.29 -4.55 118.70 122.05 3dxj s GLU 121 Ca 0.01 -0.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 3dxj s GLU 121 Cb -0.13 -1.52 -0.09 0.00 0.26 0.00 0.00 34.13 32.64 3dxj s GLU 121 CO -0.06 -0.13 1.06 0.42 -0.54 0.00 0.00 175.26 176.00 3dxj s ILE 122 N 1.23 3.65 -0.05 -3.70 1.01 -1.26 0.23 121.20 122.30 3dxj s ILE 122 Ca -0.04 1.60 0.17 0.00 0.00 0.00 0.00 60.65 62.38 3dxj s ILE 122 Cb -0.14 -3.99 -0.26 0.00 0.01 0.00 0.00 42.46 38.08 3dxj s ILE 122 CO -0.03 0.33 0.39 0.23 0.00 0.00 0.00 174.94 175.86 3dxj n MET 123 N 1.06 0.56 -2.15 2.79 2.81 -0.46 -4.43 117.12 117.29 3dxj n MET 123 Ca -0.00 -0.15 -0.30 0.00 -1.81 0.00 0.00 57.70 55.43 3dxj n MET 123 Cb 0.46 -1.40 0.02 0.00 -0.71 0.00 0.00 33.22 31.59 3dxj n MET 123 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dxj n ASN 124 N -2.06 5.70 -0.44 7.83 4.13 -1.26 -4.85 115.26 124.31 3dxj n ASN 124 Ca -0.03 -3.76 0.37 0.00 1.68 0.00 0.00 54.58 52.85 3dxj n ASN 124 Cb 0.44 -0.63 0.63 0.00 -1.54 0.00 0.00 39.78 38.67 3dxj n ASN 124 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3dxj n PRO 125 N -0.58 -0.03 -1.03 3.52 -0.04 -1.26 0.18 135.00 135.76 3dxj n PRO 125 Ca 0.46 1.15 -0.07 0.00 -0.04 0.00 0.00 63.50 64.99 3dxj n PRO 125 Cb 0.62 -2.27 0.29 0.00 -0.04 0.00 0.00 33.50 32.09 3dxj n PRO 125 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dxj n ASP 126 N -4.52 4.66 -4.67 3.54 8.00 -1.26 0.46 116.55 122.75 3dxj n ASP 126 Ca 0.37 -3.28 -0.43 0.00 0.71 0.00 0.00 54.79 52.17 3dxj n ASP 126 Cb 1.46 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 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 -3.03 4.23 0.41 0.64 2.96 0.47 -4.80 118.68 119.56 3dxj s LEU 127 Ca 0.55 1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 55.94 3dxj s LEU 127 Cb 0.44 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.49 3dxj s LEU 127 CO 0.13 -0.67 1.44 1.57 -1.32 0.00 0.00 176.35 177.50 3dxj n HIS 128 N 5.89 2.77 0.00 5.38 -0.00 -1.26 -1.74 115.22 126.26 3dxj n HIS 128 Ca 0.12 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 3dxj n HIS 128 Cb 0.46 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 3dxj n HIS 128 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3dxj n ILE 129 N 0.09 0.00 -3.82 3.57 5.41 0.24 -4.87 119.36 119.98 3dxj n ILE 129 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.74 3dxj n ILE 129 Cb 0.40 -0.96 0.01 0.00 -0.71 0.00 0.00 39.64 38.38 3dxj n ILE 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dxj s ALA 130 N -1.93 -1.48 -0.14 -1.39 0.00 -1.21 -4.74 121.76 110.87 3dxj s ALA 130 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 3dxj s ALA 130 Cb 0.00 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.87 3dxj s ALA 130 CO 0.00 -1.05 0.00 0.95 0.00 0.00 0.00 175.76 175.67 3dxj s THR 131 N -2.65 0.59 0.06 0.00 -4.23 -1.26 0.15 115.64 108.29 3dxj s THR 131 Ca 0.17 -0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 3dxj s THR 131 Cb -0.03 -0.88 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 3dxj s THR 131 CO 0.05 0.06 0.33 -0.76 -0.54 0.00 0.00 174.62 173.76 3dxj s LEU 132 N 1.86 4.34 0.42 4.79 1.43 0.51 -3.13 118.68 128.90 3dxj s LEU 132 Ca 0.02 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 3dxj s LEU 132 Cb -0.15 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 3dxj s LEU 132 CO -0.07 0.19 0.11 -0.70 0.23 0.00 0.00 176.35 176.11 3dxj s GLU 133 N -2.01 2.13 -0.11 1.70 2.12 0.23 -1.22 118.70 121.53 3dxj s GLU 133 Ca 0.32 -1.98 -0.37 0.00 0.36 0.00 0.00 54.97 53.30 3dxj s GLU 133 Cb -0.13 -1.83 -0.14 0.00 0.26 0.00 0.00 34.13 32.28 3dxj s GLU 133 CO 0.19 -0.12 1.70 0.39 -0.54 0.00 0.00 175.26 176.88 3dxj n GLU 134 N -1.16 1.59 0.00 4.30 -0.58 -1.26 0.19 120.64 123.71 3dxj n GLU 134 Ca -0.04 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 3dxj n GLU 134 Cb 0.66 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 3dxj n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dxj n GLY 135 N 3.89 2.95 3.55 0.62 0.00 -1.26 -4.77 105.19 110.18 3dxj n GLY 135 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.52 0.13 0.08 -0.02 0.00 0.49 -4.73 107.32 100.76 3dxj s GLY 136 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3dxj s GLY 136 CO 0.00 3.50 0.07 -1.60 0.00 0.00 0.00 173.10 175.08 3dxj s ARG 137 N 7.13 2.86 -0.06 2.90 3.52 -1.26 -1.68 118.95 132.37 3dxj s ARG 137 Ca 0.70 -0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 55.49 3dxj s ARG 137 Cb -0.10 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 3dxj s ARG 137 CO 0.11 0.57 0.29 -1.17 -0.81 0.00 0.00 175.30 174.28 3dxj s LEU 138 N -2.37 0.92 -0.13 -0.88 2.96 0.62 -4.89 118.68 114.91 3dxj s LEU 138 Ca 0.29 0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 54.31 3dxj s LEU 138 Cb -0.12 1.11 0.04 0.00 0.50 0.00 0.00 46.19 47.72 3dxj s LEU 138 CO 0.22 -0.29 0.46 0.21 -1.32 0.00 0.00 176.35 175.62 3dxj s ASN 139 N -0.68 -0.44 0.00 3.68 2.47 -1.26 0.25 114.94 118.96 3dxj s ASN 139 Ca -0.08 0.74 0.00 0.00 0.42 0.00 0.00 52.86 53.94 3dxj s ASN 139 Cb -0.04 0.78 0.00 0.00 -1.45 0.00 0.00 41.25 40.54 3dxj s ASN 139 CO 0.02 -0.27 0.00 1.15 -3.72 0.00 0.00 177.10 174.29 3dxj n MET 140 N 2.31 0.00 -4.05 0.43 0.00 0.43 -2.06 117.12 114.18 3dxj n MET 140 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.24 3dxj n MET 140 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.72 3dxj n MET 140 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3dxj s GLU 141 N -1.96 2.91 -0.33 3.17 2.02 0.12 -2.49 118.70 122.13 3dxj s GLU 141 Ca 0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 3dxj s GLU 141 Cb 0.00 -2.75 0.12 0.00 0.10 0.00 0.00 34.13 31.60 3dxj s GLU 141 CO 0.00 0.57 0.17 0.08 0.02 0.00 0.00 175.26 176.10 3dxj s VAL 142 N -1.38 0.27 0.15 2.63 1.01 -0.42 -0.22 120.40 122.44 3dxj s VAL 142 Ca 0.29 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 3dxj s VAL 142 Cb -0.12 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 3dxj s VAL 142 CO 0.22 -0.85 1.59 -0.60 0.00 0.00 0.00 175.10 175.46 3dxj s ARG 143 N 1.44 4.21 -0.12 2.72 3.52 0.17 -1.94 118.95 128.95 3dxj s ARG 143 Ca 0.14 2.36 0.02 0.00 -0.13 0.00 0.00 55.73 58.11 3dxj s ARG 143 Cb -0.20 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3dxj s ARG 143 CO -0.16 -0.63 -0.17 0.08 -0.81 0.00 0.00 175.30 173.61 3dxj s VAL 144 N 1.43 1.64 0.35 7.11 1.01 0.00 -0.61 120.40 131.33 3dxj s VAL 144 Ca 0.71 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3dxj s VAL 144 Cb -0.43 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3dxj s VAL 144 CO 0.31 0.47 0.02 0.47 0.00 0.00 0.00 175.10 176.37 3dxj n ASP 145 N 4.19 2.69 -4.52 3.32 10.43 0.55 -1.81 116.55 131.40 3dxj n ASP 145 Ca -0.19 -2.59 -0.28 0.00 2.57 0.00 0.00 54.79 54.30 3dxj n ASP 145 Cb 0.51 0.34 -0.10 0.00 1.84 0.00 0.00 41.12 43.71 3dxj n ASP 145 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3dxj s ARG 146 N -3.28 1.90 0.00 -1.24 3.52 -0.65 -0.59 118.95 118.60 3dxj s ARG 146 Ca 0.03 -1.26 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 3dxj s ARG 146 Cb 0.00 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 3dxj s ARG 146 CO 0.02 0.45 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 3dxj n GLY 147 N 0.37 -0.61 3.05 8.12 0.00 0.30 -4.95 105.19 111.47 3dxj n GLY 147 Ca -0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.32 0.14 0.00 1.61 -7.23 -1.26 0.26 120.40 110.60 3dxj s VAL 148 Ca 0.00 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3dxj s VAL 148 Cb 0.00 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.20 3dxj s VAL 148 CO 0.00 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 3dxj n GLY 149 N 1.02 2.24 3.50 2.32 0.00 -1.26 -4.53 105.19 108.48 3dxj n GLY 149 Ca -0.20 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 2.82 -0.31 1.61 5.04 -1.25 0.39 117.35 125.65 3dxj s TYR 150 Ca 0.00 -0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 54.44 3dxj s TYR 150 Cb 0.00 -1.71 0.13 0.00 0.35 0.00 0.00 41.96 40.73 3dxj s TYR 150 CO 0.00 0.16 0.26 0.08 -1.34 0.00 0.00 175.55 174.71 3dxj s VAL 151 N -0.52 -0.27 0.67 3.14 1.01 0.37 -4.96 120.40 119.83 3dxj s VAL 151 Ca 0.07 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 3dxj s VAL 151 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3dxj s VAL 151 CO 0.02 -0.59 0.83 -0.81 0.00 0.00 0.00 175.10 174.55 3dxj n PRO 152 N 5.06 0.58 -0.17 2.72 -0.04 -1.26 -0.02 135.00 141.86 3dxj n PRO 152 Ca -0.00 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 3dxj n PRO 152 Cb 0.44 -2.07 0.17 0.00 -0.04 0.00 0.00 33.50 32.00 3dxj n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxj h ALA 153 N -0.01 1.20 -0.75 0.55 0.00 -1.90 -0.69 119.26 117.66 3dxj h ALA 153 Ca -0.47 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.38 3dxj h ALA 153 Cb 1.35 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3dxj h ALA 153 CO 0.47 0.57 0.50 0.93 0.00 0.00 0.00 179.25 181.72 3dxj h GLU 154 N 0.90 0.51 0.00 0.00 3.07 -1.91 -3.04 114.58 114.10 3dxj h GLU 154 Ca 0.21 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3dxj h GLU 154 Cb 0.24 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3dxj h GLU 154 CO -0.01 0.34 0.00 1.17 -1.40 0.00 0.00 179.01 179.10 3dxj n LYS 155 N -4.49 0.00 -1.98 2.33 3.00 -0.27 -4.72 118.16 112.02 3dxj n LYS 155 Ca 0.14 0.06 -0.37 0.00 -0.00 0.00 0.00 58.31 58.13 3dxj n LYS 155 Cb 0.45 -0.65 0.03 0.00 0.00 0.00 0.00 35.03 34.85 3dxj n LYS 155 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 3dxj s HIS 156 N -0.30 2.47 -0.62 5.64 -3.43 -1.15 -4.96 115.29 112.93 3dxj s HIS 156 Ca 0.00 1.46 0.03 0.00 -0.80 0.00 0.00 55.06 55.75 3dxj s HIS 156 Cb 0.00 -3.59 0.38 0.00 -1.43 0.00 0.00 32.58 27.94 3dxj s HIS 156 CO 0.00 -2.32 1.34 0.41 -2.00 0.00 0.00 174.74 172.18 3dxj n GLY 157 N 0.59 5.83 3.57 -1.38 0.00 -1.26 -4.86 105.19 107.68 3dxj n GLY 157 Ca 0.11 -2.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.14 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 -5.07 3.57 -0.67 -0.61 -1.09 -1.26 -4.89 121.20 111.18 3dxj s ILE 158 Ca 0.48 -0.76 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 3dxj s ILE 158 Cb 0.36 -4.42 0.17 0.00 -1.58 0.00 0.00 42.46 36.99 3dxj s ILE 158 CO -0.22 -1.11 0.50 -0.54 -1.23 0.00 0.00 174.94 172.33 3dxj s LYS 159 N 6.43 2.70 -0.16 2.79 -0.14 -1.26 -4.63 119.74 125.47 3dxj s LYS 159 Ca 0.67 -2.63 -0.22 0.00 -1.36 0.00 0.00 55.97 52.42 3dxj s LYS 159 Cb -0.03 -3.79 -0.20 0.00 -1.68 0.00 0.00 37.83 32.14 3dxj s LYS 159 CO 0.06 -1.19 0.42 -0.44 -0.76 0.00 0.00 175.35 173.44 3dxj h ASP 160 N 6.91 0.00 -2.20 2.83 3.32 -1.91 -3.47 116.42 121.91 3dxj h ASP 160 Ca 0.01 -0.66 -0.54 0.00 0.02 0.00 0.00 57.03 55.87 3dxj h ASP 160 Cb 0.94 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.41 3dxj h ASP 160 CO 0.73 1.14 -0.60 -0.13 -1.72 0.00 0.00 179.24 178.66 3dxj s ARG 161 N -2.23 2.51 0.34 3.56 0.52 -1.26 -5.00 118.95 117.39 3dxj s ARG 161 Ca -0.21 -1.30 0.27 0.00 -0.52 0.00 0.00 55.73 53.97 3dxj s ARG 161 Cb 0.01 -2.30 0.94 0.00 0.52 0.00 0.00 34.95 34.13 3dxj s ARG 161 CO 0.57 0.37 1.78 -0.84 0.02 0.00 0.00 175.30 177.20 3dxj h ILE 162 N 1.75 0.00 -0.42 1.52 3.07 -2.00 -1.75 117.51 119.68 3dxj h ILE 162 Ca -0.46 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.49 3dxj h ILE 162 Cb 1.25 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 3dxj h ILE 162 CO 0.60 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.29 3dxj n ASN 163 N -2.57 3.68 -4.73 2.16 5.03 -1.26 -4.97 115.26 112.60 3dxj n ASN 163 Ca 0.03 -2.38 -0.41 0.00 0.87 0.00 0.00 54.58 52.69 3dxj n ASN 163 Cb 0.34 -0.41 -0.03 0.00 -1.02 0.00 0.00 39.78 38.66 3dxj n ASN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dxj s ALA 164 N -1.69 3.47 -0.09 5.41 0.00 -0.66 -4.61 121.76 123.60 3dxj s ALA 164 Ca 0.36 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3dxj s ALA 164 Cb 0.24 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3dxj s ALA 164 CO 0.17 -0.45 -0.16 0.42 0.00 0.00 0.00 175.76 175.74 3dxj s ILE 165 N 0.16 2.80 0.58 0.00 1.01 -0.49 -4.91 121.20 120.36 3dxj s ILE 165 Ca 0.55 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 3dxj s ILE 165 Cb -0.34 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3dxj s ILE 165 CO 0.36 0.55 0.92 -2.16 0.00 0.00 0.00 174.94 174.61 3dxj s PRO 166 N -0.02 3.20 0.17 2.79 0.04 -1.26 0.11 135.00 140.03 3dxj s PRO 166 Ca -0.05 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.24 3dxj s PRO 166 Cb -0.14 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3dxj s PRO 166 CO 0.04 -0.59 0.05 0.08 0.04 0.00 0.00 177.00 176.63 3dxj s VAL 167 N -3.01 0.33 -0.30 -0.36 1.01 -0.43 -4.83 120.40 112.82 3dxj s VAL 167 Ca 0.53 -1.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 3dxj s VAL 167 Cb -0.11 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3dxj s VAL 167 CO 0.47 -0.36 1.16 -1.81 0.00 0.00 0.00 175.10 174.57 3dxj s ASP 168 N -3.13 6.86 -0.12 3.32 1.01 -1.26 -3.83 116.67 119.51 3dxj s ASP 168 Ca 0.27 1.15 -0.30 0.00 0.71 0.00 0.00 52.55 54.39 3dxj s ASP 168 Cb 0.07 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 3dxj s ASP 168 CO 0.05 -0.93 1.15 0.00 0.21 0.00 0.00 175.17 175.65 3dxj s ALA 169 N 3.86 3.54 -0.48 5.23 0.00 0.97 -4.86 121.76 130.02 3dxj s ALA 169 Ca 0.49 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.96 3dxj s ALA 169 Cb -0.14 -3.53 0.18 0.00 0.00 0.00 0.00 23.12 19.63 3dxj s ALA 169 CO 0.18 -0.87 0.42 1.33 0.00 0.00 0.00 175.76 176.81 3dxj n VAL 170 N 4.89 -0.36 -0.03 0.00 0.24 -1.24 0.14 118.33 121.97 3dxj n VAL 170 Ca 0.11 -3.90 -0.15 0.00 -2.04 0.00 0.00 64.34 58.37 3dxj n VAL 170 Cb 0.46 -1.83 -0.10 0.00 -1.47 0.00 0.00 33.84 30.90 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 5.31 0.33 -0.08 6.34 -1.00 -0.30 -3.45 116.94 124.09 3dxj h PHE 171 Ca 0.22 -0.15 -0.46 0.00 2.81 0.00 0.00 57.97 60.38 3dxj h PHE 171 Cb 0.86 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 40.28 3dxj h PHE 171 CO 0.39 0.90 1.79 0.45 -1.61 0.00 0.00 178.31 180.23 3dxj n SER 172 N -4.50 0.04 0.11 2.17 2.88 -1.23 -3.46 113.62 109.64 3dxj n SER 172 Ca -0.09 -0.02 0.07 0.00 -1.33 0.00 0.00 58.87 57.50 3dxj n SER 172 Cb 0.48 -0.88 0.37 0.00 -0.75 0.00 0.00 64.21 63.43 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 7.91 0.09 -2.21 -1.46 -0.04 -1.26 -4.60 135.00 133.43 3dxj n PRO 173 Ca 0.65 0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 64.26 3dxj n PRO 173 Cb 0.08 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 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 -3.31 3.16 -0.27 0.52 1.01 -1.26 -1.69 120.40 118.55 3dxj s VAL 174 Ca -0.01 0.97 0.05 0.00 0.00 0.00 0.00 61.98 62.98 3dxj s VAL 174 Cb 0.04 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3dxj s VAL 174 CO 0.12 0.15 0.25 0.54 0.00 0.00 0.00 175.10 176.16 3dxj n ARG 175 N 2.49 4.95 0.00 2.72 1.74 -0.50 -4.93 116.66 123.14 3dxj n ARG 175 Ca 0.06 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dxj n ARG 175 Cb 0.43 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 3dxj n ARG 175 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3dxj n ARG 176 N -1.02 0.00 -3.98 5.56 0.63 -1.25 -4.99 116.66 111.62 3dxj n ARG 176 Ca 0.01 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 3dxj n ARG 176 Cb 0.08 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.87 3dxj n ARG 176 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3dxj s VAL 177 N -0.91 0.17 -0.28 5.15 1.01 -1.26 -1.90 120.40 122.37 3dxj s VAL 177 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3dxj s VAL 177 Cb 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 36.38 36.26 3dxj s VAL 177 CO 0.00 -0.22 0.83 0.00 0.00 0.00 0.00 175.10 175.71 3dxj s ALA 178 N -0.75 -2.04 0.42 5.51 0.00 -1.17 -5.05 121.76 118.68 3dxj s ALA 178 Ca -0.07 2.27 0.07 0.00 0.00 0.00 0.00 51.96 54.23 3dxj s ALA 178 Cb -0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3dxj s ALA 178 CO -0.00 -0.35 0.23 -0.59 0.00 0.00 0.00 175.76 175.04 3dxj s PHE 179 N 1.33 2.58 -0.05 0.00 -0.12 -1.26 -2.50 117.98 117.96 3dxj s PHE 179 Ca -0.08 -0.59 -0.04 0.00 -0.05 0.00 0.00 56.93 56.17 3dxj s PHE 179 Cb -0.04 -2.00 0.02 0.00 -0.63 0.00 0.00 43.02 40.37 3dxj s PHE 179 CO -0.16 0.10 0.13 -0.65 -0.05 0.00 0.00 175.22 174.59 3dxj s GLN 180 N -3.97 0.14 -0.24 1.99 -0.21 0.13 -4.96 119.66 112.55 3dxj s GLN 180 Ca 0.42 0.22 0.00 0.00 0.02 0.00 0.00 55.36 56.02 3dxj s GLN 180 Cb 0.02 0.02 0.07 0.00 1.00 0.00 0.00 33.01 34.12 3dxj s GLN 180 CO 0.23 -0.05 -0.02 0.08 -2.12 0.00 0.00 175.29 173.41 3dxj s VAL 181 N 0.30 1.37 0.02 1.09 1.01 -1.25 -0.22 120.40 122.72 3dxj s VAL 181 Ca -0.02 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 60.84 3dxj s VAL 181 Cb -0.03 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3dxj s VAL 181 CO -0.01 -0.19 -0.25 -1.83 0.00 0.00 0.00 175.10 172.82 3dxj s GLU 182 N 1.45 1.81 0.30 2.72 -1.05 -1.08 -4.87 118.70 117.98 3dxj s GLU 182 Ca -0.03 -0.98 -0.26 0.00 -0.15 0.00 0.00 54.97 53.55 3dxj s GLU 182 Cb -0.18 -1.87 -0.15 0.00 -0.44 0.00 0.00 34.13 31.49 3dxj s GLU 182 CO -0.08 0.50 0.64 -0.25 0.95 0.00 0.00 175.26 177.02 3dxj n ASP 183 N 2.10 -0.50 -3.72 0.83 8.00 -1.26 -2.73 116.55 119.27 3dxj n ASP 183 Ca -0.16 1.07 -0.13 0.00 0.71 0.00 0.00 54.79 56.28 3dxj n ASP 183 Cb 0.52 -1.09 -0.13 0.00 -0.02 0.00 0.00 41.12 40.40 3dxj n ASP 183 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3dxj s THR 184 N -1.18 -0.08 0.31 -3.53 -1.32 -1.18 -4.85 115.64 103.81 3dxj s THR 184 Ca 0.62 0.17 0.02 0.00 -1.21 0.00 0.00 61.69 61.28 3dxj s THR 184 Cb -0.76 -0.37 0.06 0.00 -1.51 0.00 0.00 72.50 69.91 3dxj s THR 184 CO 0.58 0.07 0.42 -2.11 -2.21 0.00 0.00 174.62 171.37 3dxj n ARG 185 N 4.34 0.53 0.00 7.08 1.85 -1.26 -3.56 116.66 125.65 3dxj n ARG 185 Ca -0.23 -1.35 0.00 0.00 -1.00 0.00 0.00 57.85 55.26 3dxj n ARG 185 Cb 0.53 -0.22 0.00 0.00 -1.05 0.00 0.00 32.46 31.72 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 -0.65 -4.93 117.00 122.24 3dxj n LEU 186 Ca 0.08 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3dxj n LEU 186 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3dxj n LEU 186 CO 0.18 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 3dxj n GLY 187 N 0.00 2.73 0.02 -3.96 0.00 -1.26 -4.65 105.19 98.08 3dxj n GLY 187 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 3dxj n GLY 187 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3dxj h GLN 188 N 0.00 0.00 -7.21 1.61 3.07 -2.02 -3.47 115.11 107.09 3dxj h GLN 188 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 3dxj h GLN 188 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 27.48 27.62 3dxj h GLN 188 CO 0.00 0.00 0.27 1.03 0.09 0.00 0.00 178.83 180.22 3dxj s ARG 189 N -1.33 3.17 0.00 0.06 0.52 -1.26 -4.98 118.95 115.13 3dxj s ARG 189 Ca -0.03 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 3dxj s ARG 189 Cb 0.00 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.28 3dxj s ARG 189 CO 0.04 -0.65 0.00 0.25 0.02 0.00 0.00 175.30 174.96 3dxj n THR 190 N -2.65 0.00 0.79 0.02 -2.24 -1.26 -1.64 114.28 107.29 3dxj n THR 190 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3dxj n THR 190 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3dxj n THR 190 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dxj n ASP 191 N -0.06 1.03 -4.53 3.42 5.75 -1.26 -3.98 116.55 116.92 3dxj n ASP 191 Ca 0.00 -1.57 -0.28 0.00 -0.01 0.00 0.00 54.79 52.93 3dxj n ASP 191 Cb 0.00 -0.39 0.13 0.00 -1.03 0.00 0.00 41.12 39.83 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 0.00 2.74 0.39 -2.12 1.43 -1.23 -3.64 118.68 116.25 3dxj s LEU 192 Ca 0.00 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 3dxj s LEU 192 Cb 0.00 -2.60 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 3dxj s LEU 192 CO 0.00 -2.20 -0.01 -1.81 0.23 0.00 0.00 176.35 172.56 3dxj s ASP 193 N -4.73 3.73 -0.25 2.29 1.01 0.13 -3.11 116.67 115.75 3dxj s ASP 193 Ca 0.68 -1.32 -0.02 0.00 0.71 0.00 0.00 52.55 52.59 3dxj s ASP 193 Cb -0.07 -0.36 0.12 0.00 1.01 0.00 0.00 42.92 43.62 3dxj s ASP 193 CO 0.49 -0.40 0.26 -0.75 0.21 0.00 0.00 175.17 174.99 3dxj s LYS 194 N -3.70 0.27 -0.25 8.23 2.20 -1.11 -1.74 119.74 123.65 3dxj s LYS 194 Ca 0.34 0.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.78 3dxj s LYS 194 Cb 0.08 -0.88 -0.03 0.00 -1.51 0.00 0.00 37.83 35.50 3dxj s LYS 194 CO 0.17 -0.86 0.55 -1.17 -0.36 0.00 0.00 175.35 173.68 3dxj s LEU 195 N 2.35 4.07 -0.06 5.43 2.96 -1.08 -2.63 118.68 129.71 3dxj s LEU 195 Ca 0.09 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 3dxj s LEU 195 Cb -0.15 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 3dxj s LEU 195 CO -0.24 -0.29 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.44 3dxj s THR 196 N 2.24 2.85 -0.13 3.68 2.01 0.69 -1.76 115.64 125.21 3dxj s THR 196 Ca 0.23 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.45 3dxj s THR 196 Cb -0.16 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.26 3dxj s THR 196 CO 0.09 0.58 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.69 3dxj s LEU 197 N -0.46 1.70 -0.27 4.42 1.43 0.48 -0.69 118.68 125.28 3dxj s LEU 197 Ca 0.06 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3dxj s LEU 197 Cb -0.12 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 3dxj s LEU 197 CO 0.02 -0.03 0.05 -0.13 0.23 0.00 0.00 176.35 176.49 3dxj s ARG 198 N 1.29 3.29 0.03 1.70 0.52 -1.04 0.75 118.95 125.49 3dxj s ARG 198 Ca 0.00 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 3dxj s ARG 198 Cb -0.14 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 3dxj s ARG 198 CO -0.07 -0.33 -0.22 0.42 0.02 0.00 0.00 175.30 175.12 3dxj s ILE 199 N 1.53 1.73 0.08 1.52 1.01 -0.98 -3.06 121.20 123.02 3dxj s ILE 199 Ca 0.04 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.61 3dxj s ILE 199 Cb -0.16 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3dxj s ILE 199 CO 0.02 0.29 -0.18 0.26 0.00 0.00 0.00 174.94 175.32 3dxj s TRP 200 N -0.73 1.58 0.21 3.97 0.52 -0.80 -2.85 118.94 120.85 3dxj s TRP 200 Ca 0.08 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.76 3dxj s TRP 200 Cb -0.09 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.31 3dxj s TRP 200 CO 0.01 0.14 0.19 0.95 0.02 0.00 0.00 176.95 178.26 3dxj s THR 201 N -1.13 0.00 -1.70 2.01 -4.23 -0.07 -1.41 115.64 109.11 3dxj s THR 201 Ca 0.04 -1.90 0.30 0.00 -1.18 0.00 0.00 61.69 58.94 3dxj s THR 201 Cb -0.10 -2.46 0.68 0.00 1.34 0.00 0.00 72.50 71.96 3dxj s THR 201 CO 0.03 0.00 2.07 -0.90 -0.54 0.00 0.00 174.62 175.28 3dxj n ASP 202 N -0.36 0.00 0.00 3.99 5.68 -0.68 -4.65 116.55 120.53 3dxj n ASP 202 Ca 0.02 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.79 3dxj n ASP 202 Cb 0.65 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3dxj n ASP 202 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dxj n GLY 203 N 1.05 2.75 0.29 6.12 0.00 -1.26 -4.85 105.19 109.28 3dxj n GLY 203 Ca 0.18 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.53 0.00 -3.98 1.61 4.64 -1.90 -3.42 113.55 111.03 3dxj h SER 204 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3dxj h SER 204 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 3dxj h SER 204 CO 0.00 0.00 -0.77 -0.69 -0.87 0.00 0.00 176.83 174.50 3dxj s VAL 205 N -4.88 1.47 -0.07 0.95 1.01 -1.26 -4.83 120.40 112.79 3dxj s VAL 205 Ca -0.05 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.11 3dxj s VAL 205 Cb 0.16 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3dxj s VAL 205 CO 0.62 -0.34 0.27 -0.89 0.00 0.00 0.00 175.10 174.77 3dxj s THR 206 N -1.93 5.28 0.23 3.92 2.01 -1.26 -4.60 115.64 119.28 3dxj s THR 206 Ca 0.09 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 3dxj s THR 206 Cb -0.06 -3.56 0.27 0.00 0.01 0.00 0.00 72.50 69.16 3dxj s THR 206 CO 0.04 0.58 1.57 -0.65 -0.69 0.00 0.00 174.62 175.47 3dxj h PRO 207 N 5.03 -0.03 0.00 4.92 0.11 -1.85 0.19 132.00 140.37 3dxj h PRO 207 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dxj h PRO 207 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dxj h PRO 207 CO 0.61 -0.02 0.00 -0.11 -0.21 0.00 0.00 178.00 178.27 3dxj n LEU 208 N -5.50 0.00 -0.25 2.35 7.94 -1.26 -0.87 117.00 119.40 3dxj n LEU 208 Ca 0.10 0.82 -0.06 0.00 -1.11 0.00 0.00 56.01 55.76 3dxj n LEU 208 Cb 0.41 -0.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.99 3dxj n LEU 208 CO -0.08 -0.32 0.30 -0.62 -1.11 0.00 0.00 177.39 175.56 3dxj n GLU 209 N -1.85 -0.25 0.00 1.96 1.02 -0.26 -0.16 120.64 121.11 3dxj n GLU 209 Ca 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 3dxj n GLU 209 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.56 -0.17 -0.23 0.62 0.00 0.51 -2.43 120.51 115.25 3dxj n ALA 210 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 3dxj n ALA 210 Cb 0.17 0.28 -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 -2.36 -0.45 -0.09 0.00 7.94 0.78 0.13 117.00 122.95 3dxj n LEU 211 Ca 0.00 1.02 -0.14 0.00 -1.11 0.00 0.00 56.01 55.78 3dxj n LEU 211 Cb 0.00 -0.20 -0.10 0.00 0.53 0.00 0.00 43.42 43.65 3dxj n LEU 211 CO 0.00 -0.89 0.51 0.78 -1.11 0.00 0.00 177.39 176.68 3dxj h ASN 212 N 0.00 -1.80 -0.00 1.96 2.35 -0.98 0.21 115.58 117.32 3dxj h ASN 212 Ca 0.17 0.23 0.02 0.00 -0.55 0.00 0.00 56.30 56.16 3dxj h ASN 212 Cb 0.31 0.73 -0.05 0.00 0.05 0.00 0.00 38.32 39.36 3dxj h ASN 212 CO -0.57 -0.43 -0.49 1.56 -1.65 0.00 0.00 177.43 175.85 3dxj h GLN 213 N -0.46 -0.60 -0.21 0.81 4.20 0.14 -0.39 115.11 118.60 3dxj h GLN 213 Ca 0.06 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3dxj h GLN 213 Cb 0.63 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 3dxj h GLN 213 CO -0.54 -0.40 -0.13 0.00 -0.67 0.00 0.00 178.83 177.10 3dxj n ALA 214 N -2.93 -0.14 -0.04 3.87 0.00 0.74 -0.92 120.51 121.09 3dxj n ALA 214 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3dxj n ALA 214 Cb 0.36 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3dxj n ALA 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj n VAL 215 N -3.36 0.00 -0.13 0.00 0.31 0.61 -2.00 118.33 113.75 3dxj n VAL 215 Ca 0.00 1.48 -0.03 0.00 -0.01 0.00 0.00 64.34 65.78 3dxj n VAL 215 Cb 0.06 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 30.84 3dxj n VAL 215 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3dxj n GLU 216 N -2.65 -0.13 0.00 5.55 4.07 -0.10 -0.07 120.64 127.31 3dxj n GLU 216 Ca 0.00 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 3dxj n GLU 216 Cb 0.00 -0.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 3dxj n GLU 216 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3dxj n ILE 217 N -4.07 0.00 -0.28 6.31 5.41 -0.21 -0.56 119.36 125.97 3dxj n ILE 217 Ca 0.01 1.21 0.01 0.00 1.00 0.00 0.00 62.75 64.97 3dxj n ILE 217 Cb 0.08 -1.68 0.05 0.00 -0.71 0.00 0.00 39.64 37.38 3dxj n ILE 217 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3dxj n LEU 218 N -2.15 -0.42 0.10 1.39 7.94 0.90 0.13 117.00 124.89 3dxj n LEU 218 Ca 0.00 1.27 -0.07 0.00 -1.11 0.00 0.00 56.01 56.10 3dxj n LEU 218 Cb 0.00 -0.32 -0.04 0.00 0.53 0.00 0.00 43.42 43.60 3dxj n LEU 218 CO 0.00 -1.16 0.51 -0.09 -1.11 0.00 0.00 177.39 175.54 3dxj h ARG 219 N 0.00 -0.35 -1.00 1.96 2.43 0.02 -0.86 114.38 116.59 3dxj h ARG 219 Ca 0.28 0.02 0.38 0.00 -0.81 0.00 0.00 59.98 59.85 3dxj h ARG 219 Cb 0.46 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 29.96 3dxj h ARG 219 CO -0.73 -0.23 0.60 -1.91 -1.51 0.00 0.00 179.97 176.18 3dxj n GLU 220 N -3.53 -0.04 -0.06 0.20 2.13 0.12 0.27 120.64 119.72 3dxj n GLU 220 Ca -0.04 1.12 -0.12 0.00 0.66 0.00 0.00 57.16 58.78 3dxj n GLU 220 Cb 0.17 -2.09 -0.06 0.00 0.27 0.00 0.00 31.44 29.73 3dxj n GLU 220 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3dxj h HIS 221 N 0.00 0.36 0.00 4.31 3.86 0.25 -1.87 115.15 122.05 3dxj h HIS 221 Ca 0.73 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.87 3dxj h HIS 221 Cb 2.14 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.52 3dxj h HIS 221 CO -0.01 0.55 0.27 -0.07 0.86 0.00 0.00 177.93 179.54 3dxj h LEU 222 N 0.06 0.00 -0.24 2.43 3.38 0.48 0.13 115.31 121.56 3dxj h LEU 222 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3dxj h LEU 222 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dxj h LEU 222 CO 0.01 0.00 0.02 0.74 0.09 0.00 0.00 178.44 179.30 3dxj h THR 223 N 0.00 1.25 0.00 0.22 2.02 -0.74 -3.23 112.91 112.42 3dxj h THR 223 Ca 0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3dxj h THR 223 Cb 0.55 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3dxj h THR 223 CO 0.00 0.27 0.21 -1.22 0.37 0.00 0.00 175.52 175.14 3dxj n TYR 224 N -4.67 0.03 0.06 3.16 0.53 0.45 -0.40 117.16 116.33 3dxj n TYR 224 Ca -0.04 0.02 -0.15 0.00 -1.02 0.00 0.00 57.90 56.71 3dxj n TYR 224 Cb 0.22 -0.32 -0.14 0.00 -1.03 0.00 0.00 39.34 38.07 3dxj n TYR 224 CO 0.00 0.00 0.00 0.74 -1.02 0.00 0.00 176.86 176.58 3dxj h PHE 225 N 0.00 0.38 -1.00 -0.72 -1.00 -1.74 -3.33 116.94 109.54 3dxj h PHE 225 Ca 0.00 -0.28 0.34 0.00 2.81 0.00 0.00 57.97 60.84 3dxj h PHE 225 Cb 0.41 -0.02 -0.18 0.00 3.61 0.00 0.00 35.95 39.77 3dxj h PHE 225 CO 0.00 1.31 0.24 0.66 -1.61 0.00 0.00 178.31 178.91 3dxj h SER 226 N 0.06 -0.15 -3.13 2.17 4.64 -0.92 -3.28 113.55 112.93 3dxj h SER 226 Ca -0.21 0.27 -0.69 0.00 -0.47 0.00 0.00 61.79 60.69 3dxj h SER 226 Cb 1.99 0.40 -0.19 0.00 -0.31 0.00 0.00 62.40 64.29 3dxj h SER 226 CO 0.16 -0.40 0.07 0.21 -0.87 0.00 0.00 176.83 176.00 3dxj s ASN 227 N -4.80 6.21 0.58 4.97 2.47 -1.25 -5.06 114.94 118.05 3dxj s ASN 227 Ca -0.11 -1.10 -0.04 0.00 0.42 0.00 0.00 52.86 52.03 3dxj s ASN 227 Cb 0.31 -2.29 0.01 0.00 -1.45 0.00 0.00 41.25 37.83 3dxj s ASN 227 CO 0.78 -0.97 0.86 -2.84 -3.72 0.00 0.00 177.10 171.21 3dxj s PRO 228 N 2.65 2.83 -0.28 0.43 0.02 -1.24 -5.05 135.00 134.35 3dxj s PRO 228 Ca 0.14 -0.18 -0.18 0.00 0.02 0.00 0.00 61.00 60.79 3dxj s PRO 228 Cb -0.21 -2.33 0.11 0.00 0.02 0.00 0.00 34.50 32.09 3dxj s PRO 228 CO 0.10 -0.69 0.83 -0.65 -0.33 0.00 0.00 177.00 176.26 3dxj s GLN 229 N -4.93 0.59 0.07 5.54 -0.21 -1.26 -5.16 119.66 114.31 3dxj s GLN 229 Ca 0.54 0.93 -0.23 0.00 0.02 0.00 0.00 55.36 56.62 3dxj s GLN 229 Cb -0.10 0.17 -0.06 0.00 1.00 0.00 0.00 33.01 34.01 3dxj s GLN 229 CO 0.43 -0.11 0.71 0.00 -2.12 0.00 0.00 175.29 174.20 3dxj s ALA 230 N 1.19 3.45 -2.41 6.09 0.00 -1.26 -5.31 121.76 123.51 3dxj s ALA 230 Ca -0.07 0.22 0.29 0.00 0.00 0.00 0.00 51.96 52.40 3dxj s ALA 230 Cb -0.05 -2.88 1.21 0.00 0.00 0.00 0.00 23.12 21.40 3dxj s ALA 230 CO -0.14 0.20 1.83 0.00 0.00 0.00 0.00 175.76 177.65