#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 0.00 0.00 -0.89 4.77 -1.26 -5.08 117.00 114.55 3dxj n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dxj n LEU 2 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3dxj n LEU 2 CO 0.00 -0.34 -0.06 -0.90 -1.33 0.00 0.00 177.39 174.76 3dxj n ASP 3 N -2.06 0.21 -4.73 -1.43 5.75 -1.26 -5.09 116.55 107.94 3dxj n ASP 3 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 3dxj n ASP 3 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 3dxj n ASP 3 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3dxj s SER 4 N -4.16 4.28 -0.75 -1.12 0.15 -1.26 -4.78 113.70 106.07 3dxj s SER 4 Ca 0.00 2.33 -0.24 0.00 0.70 0.00 0.00 55.95 58.74 3dxj s SER 4 Cb 0.00 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.57 3dxj s SER 4 CO 0.00 -2.20 2.40 0.29 1.20 0.00 0.00 173.24 174.93 3dxj n LYS 5 N -2.68 0.59 0.00 5.44 5.02 -1.26 -4.53 118.16 120.74 3dxj n LYS 5 Ca 0.13 -0.47 0.01 0.00 -2.02 0.00 0.00 58.31 55.96 3dxj n LYS 5 Cb 0.50 -3.18 0.06 0.00 -0.02 0.00 0.00 35.03 32.40 3dxj n LYS 5 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3dxj n LEU 6 N 15.91 0.00 -4.03 -0.35 7.94 -1.26 -4.19 117.00 131.02 3dxj n LEU 6 Ca 0.48 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 55.06 3dxj n LEU 6 Cb 0.40 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.21 3dxj n LEU 6 CO 0.68 0.00 -0.25 -0.54 -1.11 0.00 0.00 177.39 176.17 3dxj s LYS 7 N -2.00 1.74 -0.34 1.96 -0.14 -1.26 -4.87 119.74 114.82 3dxj s LYS 7 Ca 0.03 -2.06 -0.28 0.00 -1.36 0.00 0.00 55.97 52.30 3dxj s LYS 7 Cb 0.01 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 3dxj s LYS 7 CO 0.02 -1.01 1.90 0.00 -0.76 0.00 0.00 175.35 175.50 3dxj s ALA 8 N 0.63 2.72 -0.05 5.17 0.00 -1.26 -4.68 121.76 124.30 3dxj s ALA 8 Ca 0.12 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.25 3dxj s ALA 8 Cb -0.21 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.80 3dxj s ALA 8 CO -0.05 -2.86 0.27 -2.30 0.00 0.00 0.00 175.76 170.82 3dxj n PRO 9 N 8.58 0.00 -1.69 0.00 -0.02 -1.26 -4.72 135.00 135.89 3dxj n PRO 9 Ca 0.24 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.29 3dxj n PRO 9 Cb 0.47 -0.30 -0.03 0.00 -0.02 0.00 0.00 33.50 33.62 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 0.54 0.32 -3.04 -1.45 0.31 0.36 -4.66 118.33 110.71 3dxj n VAL 10 Ca 0.05 -0.06 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 3dxj n VAL 10 Cb 0.00 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 30.94 3dxj n VAL 10 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3dxj n PHE 11 N 5.36 3.62 -2.79 3.52 7.35 -1.26 -3.18 117.46 130.08 3dxj n PHE 11 Ca 0.18 -3.14 -0.31 0.00 -0.76 0.00 0.00 57.45 53.43 3dxj n PHE 11 Cb 0.35 -1.57 -0.03 0.00 0.35 0.00 0.00 39.48 38.58 3dxj n PHE 11 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dxj s THR 12 N -1.56 4.74 0.18 -2.13 -4.23 -1.07 -4.98 115.64 106.59 3dxj s THR 12 Ca 0.33 0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 61.41 3dxj s THR 12 Cb -0.00 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.14 3dxj s THR 12 CO 0.02 -0.53 0.49 0.54 -0.54 0.00 0.00 174.62 174.60 3dxj s VAL 13 N -2.40 0.03 -0.22 2.29 0.11 -1.26 -1.89 120.40 117.07 3dxj s VAL 13 Ca 0.53 -0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 58.66 3dxj s VAL 13 Cb -0.10 -1.53 0.07 0.00 -1.53 0.00 0.00 36.38 33.28 3dxj s VAL 13 CO 0.31 -0.15 0.55 0.00 -3.33 0.00 0.00 175.10 172.47 3dxj s ARG 14 N -3.87 0.56 0.10 1.54 1.70 -0.97 -4.98 118.95 113.04 3dxj s ARG 14 Ca 0.09 0.95 -0.19 0.00 -0.47 0.00 0.00 55.73 56.11 3dxj s ARG 14 Cb -0.00 0.11 0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3dxj s ARG 14 CO -0.04 -0.14 0.46 -0.08 -1.08 0.00 0.00 175.30 174.42 3dxj s THR 15 N 1.26 0.05 0.18 4.99 -1.32 -1.26 -1.84 115.64 117.69 3dxj s THR 15 Ca -0.08 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 3dxj s THR 15 Cb -0.06 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 3dxj s THR 15 CO -0.13 -0.21 0.00 1.67 -2.21 0.00 0.00 174.62 173.74 3dxj n GLN 16 N -0.01 0.00 -2.28 7.08 7.27 -1.26 -5.07 117.38 123.10 3dxj n GLN 16 Ca -0.17 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.58 3dxj n GLN 16 Cb 0.63 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.25 3dxj n GLN 16 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3dxj s GLY 17 N -4.35 2.03 0.58 1.69 0.00 -1.26 -4.93 107.32 101.08 3dxj s GLY 17 Ca 0.00 0.19 0.33 0.00 0.00 0.00 0.00 44.72 45.24 3dxj s GLY 17 CO 0.00 0.47 2.17 3.21 0.00 0.00 0.00 173.10 178.96 3dxj h ARG 18 N 0.70 0.00 0.13 2.90 3.08 -1.92 -3.15 114.38 116.11 3dxj h ARG 18 Ca -0.46 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.27 3dxj h ARG 18 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3dxj h ARG 18 CO 0.61 0.05 -1.65 0.93 -1.07 0.00 0.00 179.97 178.84 3dxj h GLU 19 N 0.00 0.26 -6.18 0.04 5.08 -1.81 -3.35 114.58 108.63 3dxj h GLU 19 Ca -0.00 -0.45 -0.51 0.00 -1.00 0.00 0.00 59.36 57.40 3dxj h GLU 19 Cb 0.22 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3dxj h GLU 19 CO 0.01 1.22 -0.49 -0.47 -1.00 0.00 0.00 179.01 178.27 3dxj s TYR 20 N -2.51 2.90 0.00 4.33 5.04 -1.19 -0.25 117.35 125.66 3dxj s TYR 20 Ca -0.21 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3dxj s TYR 20 Cb 0.05 -1.65 0.00 0.00 0.35 0.00 0.00 41.96 40.71 3dxj s TYR 20 CO 0.77 0.31 0.00 0.41 -1.34 0.00 0.00 175.55 175.70 3dxj n GLY 21 N -1.26 1.12 3.75 8.97 0.00 -0.88 -4.19 105.19 112.70 3dxj n GLY 21 Ca -0.04 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3dxj n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 22 N -0.18 2.94 -0.01 1.61 2.02 -0.77 -0.46 118.70 123.85 3dxj s GLU 22 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.43 3dxj s GLU 22 Cb 0.00 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 3dxj s GLU 22 CO 0.00 0.62 -0.05 -0.06 0.02 0.00 0.00 175.26 175.79 3dxj s PHE 23 N -1.22 0.44 0.03 1.61 0.40 -0.79 -2.30 117.98 116.16 3dxj s PHE 23 Ca 0.24 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.53 3dxj s PHE 23 Cb -0.12 -0.29 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 3dxj s PHE 23 CO 0.15 -0.02 -0.14 0.08 0.70 0.00 0.00 175.22 175.99 3dxj s VAL 24 N -0.05 1.12 -0.13 -0.44 1.01 -0.79 0.17 120.40 121.29 3dxj s VAL 24 Ca 0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3dxj s VAL 24 Cb -0.03 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.41 3dxj s VAL 24 CO -0.00 0.04 0.29 -0.22 0.00 0.00 0.00 175.10 175.21 3dxj s LEU 25 N -1.04 -0.05 0.08 3.92 2.96 -0.53 -2.60 118.68 121.42 3dxj s LEU 25 Ca 0.02 0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 54.32 3dxj s LEU 25 Cb -0.08 0.86 0.08 0.00 0.50 0.00 0.00 46.19 47.55 3dxj s LEU 25 CO 0.01 -0.21 0.76 -1.83 -1.32 0.00 0.00 176.35 173.76 3dxj s GLU 26 N 1.89 1.07 0.39 1.98 -1.05 -1.19 -1.66 118.70 120.12 3dxj s GLU 26 Ca -0.04 -0.41 -0.16 0.00 -0.15 0.00 0.00 54.97 54.21 3dxj s GLU 26 Cb -0.11 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 3dxj s GLU 26 CO -0.09 -0.47 0.83 -1.25 0.95 0.00 0.00 175.26 175.22 3dxj s PRO 27 N -3.43 4.01 0.01 -4.83 0.04 -1.26 0.14 135.00 129.68 3dxj s PRO 27 Ca 0.04 0.78 0.05 0.00 0.04 0.00 0.00 61.00 61.90 3dxj s PRO 27 Cb -0.01 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 3dxj s PRO 27 CO -0.10 0.02 -0.14 -0.51 0.04 0.00 0.00 177.00 176.31 3dxj s LEU 28 N -3.32 2.10 0.01 -3.56 1.43 -0.00 -4.25 118.68 111.09 3dxj s LEU 28 Ca 0.56 -0.36 -0.35 0.00 -1.03 0.00 0.00 54.13 52.96 3dxj s LEU 28 Cb -0.10 -0.68 -0.13 0.00 0.03 0.00 0.00 46.19 45.31 3dxj s LEU 28 CO 0.21 0.11 1.70 -0.62 0.23 0.00 0.00 176.35 177.97 3dxj n GLU 29 N 2.32 1.98 -0.66 1.70 -0.58 -1.26 0.08 120.64 124.22 3dxj n GLU 29 Ca -0.16 0.72 -0.24 0.00 -0.42 0.00 0.00 57.16 57.06 3dxj n GLU 29 Cb 0.55 -2.50 -0.03 0.00 -0.57 0.00 0.00 31.44 28.89 3dxj n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3dxj n ARG 30 N 4.87 0.00 0.00 3.49 0.63 -1.26 0.12 116.66 124.51 3dxj n ARG 30 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3dxj n ARG 30 Cb 0.27 -0.58 0.00 0.00 0.45 0.00 0.00 32.46 32.60 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 0.78 1.68 0.58 5.14 0.00 -1.26 -4.83 105.19 107.28 3dxj n GLY 31 Ca 0.09 -0.10 0.43 0.00 0.00 0.00 0.00 46.02 46.43 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 0.20 -0.35 1.61 -1.00 -0.63 0.29 116.94 117.05 3dxj h PHE 32 Ca 0.00 0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.86 3dxj h PHE 32 Cb 0.00 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 39.42 3dxj h PHE 32 CO 0.00 -0.07 -0.29 0.78 -1.61 0.00 0.00 178.31 177.12 3dxj h GLY 33 N 0.05 -0.19 0.86 -1.45 0.00 -1.88 0.09 103.07 100.54 3dxj h GLY 33 Ca 0.80 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 48.50 3dxj h GLY 33 CO -0.16 -0.21 0.03 -2.08 0.00 0.00 0.00 176.54 174.13 3dxj h VAL 34 N -0.25 1.15 -0.84 4.60 2.07 -0.83 0.68 116.25 122.84 3dxj h VAL 34 Ca 0.17 -0.44 0.24 0.00 0.82 0.00 0.00 66.70 67.49 3dxj h VAL 34 Cb 0.51 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3dxj h VAL 34 CO -0.49 0.13 0.62 0.74 0.02 0.00 0.00 177.57 178.58 3dxj h THR 35 N -0.02 0.55 0.00 2.57 2.02 -1.05 -2.50 112.91 114.49 3dxj h THR 35 Ca 0.03 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.05 3dxj h THR 35 Cb 0.17 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3dxj h THR 35 CO -0.00 0.00 -1.50 0.18 0.37 0.00 0.00 175.52 174.57 3dxj n LEU 36 N -4.24 1.88 0.00 2.58 4.32 -0.06 -4.42 117.00 117.06 3dxj n LEU 36 Ca 0.17 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 3dxj n LEU 36 Cb 0.92 -0.74 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3dxj n LEU 36 CO 0.38 0.01 0.32 0.61 -1.22 0.00 0.00 177.39 177.49 3dxj n GLY 37 N 1.50 -3.31 0.07 -0.72 0.00 0.24 -2.20 105.19 100.76 3dxj n GLY 37 Ca -0.27 0.68 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.67 -0.17 -0.22 1.61 5.15 -0.95 -1.49 115.26 117.52 3dxj n ASN 38 Ca 0.00 1.02 -0.06 0.00 -0.60 0.00 0.00 54.58 54.94 3dxj n ASN 38 Cb 0.00 -0.40 -0.05 0.00 -0.53 0.00 0.00 39.78 38.79 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 -3.28 -0.23 0.00 1.20 -0.02 -1.08 -0.88 135.00 130.70 3dxj n PRO 39 Ca 0.00 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3dxj n PRO 39 Cb 0.04 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3dxj n PRO 39 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dxj n LEU 40 N -4.36 0.00 -0.16 2.45 4.77 -0.61 -1.77 117.00 117.32 3dxj n LEU 40 Ca 0.01 0.90 0.02 0.00 -0.03 0.00 0.00 56.01 56.90 3dxj n LEU 40 Cb 0.14 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3dxj n LEU 40 CO -0.08 -0.40 0.28 -1.14 -1.33 0.00 0.00 177.39 174.72 3dxj n ARG 41 N -2.09 -0.05 0.00 3.23 0.63 -0.26 0.16 116.66 118.28 3dxj n ARG 41 Ca 0.00 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 3dxj n ARG 41 Cb 0.00 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3dxj n ARG 41 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3dxj n ARG 42 N -4.68 0.00 -0.22 -0.14 1.74 -0.06 -0.58 116.66 112.72 3dxj n ARG 42 Ca 0.06 0.63 -0.06 0.00 -0.77 0.00 0.00 57.85 57.71 3dxj n ARG 42 Cb 0.20 -1.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3dxj n ARG 42 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3dxj n ILE 43 N -1.95 -0.36 -0.39 0.55 5.41 0.43 -1.44 119.36 121.62 3dxj n ILE 43 Ca 0.00 1.72 -0.06 0.00 1.00 0.00 0.00 62.75 65.41 3dxj n ILE 43 Cb 0.00 -2.16 -0.03 0.00 -0.71 0.00 0.00 39.64 36.74 3dxj n ILE 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3dxj h LEU 44 N 0.00 -1.77 -0.60 1.39 3.38 -0.42 0.70 115.31 117.98 3dxj h LEU 44 Ca 0.08 0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3dxj h LEU 44 Cb 0.22 0.84 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3dxj h LEU 44 CO -0.49 -0.27 0.00 0.18 0.09 0.00 0.00 178.44 177.95 3dxj n LEU 45 N -5.37 0.28 0.00 1.67 4.77 0.26 -4.04 117.00 114.58 3dxj n LEU 45 Ca 0.06 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 3dxj n LEU 45 Cb 0.33 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3dxj n LEU 45 CO -0.14 -0.64 0.00 -1.54 -1.33 0.00 0.00 177.39 173.74 3dxj n SER 46 N -1.86 0.00 0.00 -1.43 3.41 0.20 -4.93 113.62 109.01 3dxj n SER 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dxj n SER 46 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -4.73 4.04 7.64 0.12 -4.45 113.62 115.45 3dxj n SER 47 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 3dxj n SER 47 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.79 4.64 0.72 0.44 -1.09 -1.26 -4.99 121.20 117.87 3dxj s ILE 48 Ca 0.00 1.96 -0.14 0.00 -2.23 0.00 0.00 60.65 60.24 3dxj s ILE 48 Cb 0.00 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3dxj s ILE 48 CO 0.00 0.29 1.14 -2.84 -1.23 0.00 0.00 174.94 172.31 3dxj s PRO 49 N 0.21 2.36 0.00 2.79 0.02 -1.26 -4.11 135.00 135.01 3dxj s PRO 49 Ca 0.46 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3dxj s PRO 49 Cb -0.22 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3dxj s PRO 49 CO 0.28 -1.61 0.00 0.41 -0.33 0.00 0.00 177.00 175.75 3dxj n GLY 50 N -0.22 2.43 3.28 0.52 0.00 0.13 -4.33 105.19 106.99 3dxj n GLY 50 Ca 0.11 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.90 1.22 -0.17 2.61 -4.23 -1.26 0.40 115.64 111.32 3dxj s THR 51 Ca 0.00 -2.08 -0.33 0.00 -1.18 0.00 0.00 61.69 58.10 3dxj s THR 51 Cb 0.00 -1.99 0.14 0.00 1.34 0.00 0.00 72.50 71.99 3dxj s THR 51 CO 0.00 -0.63 1.16 0.00 -0.54 0.00 0.00 174.62 174.60 3dxj s ALA 52 N -3.30 -2.03 -0.34 3.99 0.00 0.33 -4.40 121.76 116.01 3dxj s ALA 52 Ca 0.20 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 3dxj s ALA 52 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3dxj s ALA 52 CO 0.03 -0.54 1.56 0.08 0.00 0.00 0.00 175.76 176.89 3dxj s VAL 53 N -2.23 3.75 -0.03 0.00 1.01 -1.26 0.90 120.40 122.53 3dxj s VAL 53 Ca 0.07 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 3dxj s VAL 53 Cb -0.01 -3.93 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 3dxj s VAL 53 CO -0.05 -0.54 1.10 0.74 0.00 0.00 0.00 175.10 176.35 3dxj h THR 54 N 6.47 1.05 -2.58 3.92 2.02 0.10 -3.42 112.91 120.48 3dxj h THR 54 Ca -0.30 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 65.83 3dxj h THR 54 Cb 1.13 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3dxj h THR 54 CO 1.05 0.24 0.23 -1.54 0.37 0.00 0.00 175.52 175.87 3dxj n SER 55 N -4.93 -1.47 -3.70 4.18 3.41 -1.08 0.25 113.62 110.28 3dxj n SER 55 Ca -0.08 -1.98 -0.13 0.00 -0.26 0.00 0.00 58.87 56.42 3dxj n SER 55 Cb 0.26 2.44 -0.07 0.00 -0.26 0.00 0.00 64.21 66.58 3dxj n SER 55 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dxj s VAL 56 N -2.36 0.06 0.03 -3.33 1.01 0.26 -0.87 120.40 115.20 3dxj s VAL 56 Ca 0.12 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3dxj s VAL 56 Cb -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3dxj s VAL 56 CO 0.07 -0.26 -0.07 -0.47 0.00 0.00 0.00 175.10 174.37 3dxj s TYR 57 N -2.04 0.62 -0.01 5.22 5.04 -0.92 0.20 117.35 125.46 3dxj s TYR 57 Ca -0.08 -0.41 -0.01 0.00 -2.44 0.00 0.00 57.07 54.13 3dxj s TYR 57 Cb -0.02 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.91 3dxj s TYR 57 CO 0.00 -0.07 0.03 0.42 -1.34 0.00 0.00 175.55 174.60 3dxj s ILE 58 N -1.10 0.00 0.00 3.14 1.01 -1.26 -2.34 121.20 120.65 3dxj s ILE 58 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3dxj s ILE 58 Cb -0.08 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.34 3dxj s ILE 58 CO 0.00 -0.00 0.11 1.21 0.00 0.00 0.00 174.94 176.26 3dxj n GLU 59 N 3.06 0.00 -1.49 2.79 4.07 -0.58 -2.42 120.64 126.07 3dxj n GLU 59 Ca -0.12 0.11 -0.36 0.00 -0.06 0.00 0.00 57.16 56.73 3dxj n GLU 59 Cb 0.60 -0.27 0.07 0.00 -0.06 0.00 0.00 31.44 31.77 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 -0.45 7.65 -4.71 4.31 8.00 -1.26 -4.95 116.55 125.14 3dxj n ASP 60 Ca 0.00 -3.80 -0.25 0.00 0.71 0.00 0.00 54.79 51.45 3dxj n ASP 60 Cb 0.00 -1.00 -0.08 0.00 -0.02 0.00 0.00 41.12 40.03 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 -4.89 2.44 0.08 2.53 -7.23 -1.01 -5.05 120.40 107.27 3dxj s VAL 61 Ca 0.62 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3dxj s VAL 61 Cb 0.49 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3dxj s VAL 61 CO -0.11 -0.06 0.00 0.18 -0.31 0.00 0.00 175.10 174.79 3dxj n LEU 62 N -1.15 0.23 -4.41 1.32 4.77 -1.26 -4.86 117.00 111.62 3dxj n LEU 62 Ca -0.02 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.87 3dxj n LEU 62 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 3dxj n LEU 62 CO 0.45 -0.46 -0.46 -1.38 -1.33 0.00 0.00 177.39 174.21 3dxj s HIS 63 N -2.00 2.04 0.11 -1.77 -3.43 -1.26 -4.73 115.29 104.25 3dxj s HIS 63 Ca 0.00 -0.44 0.29 0.00 -0.80 0.00 0.00 55.06 54.12 3dxj s HIS 63 Cb 0.00 -0.91 1.60 0.00 -1.43 0.00 0.00 32.58 31.84 3dxj s HIS 63 CO 0.00 0.56 1.90 1.49 -2.00 0.00 0.00 174.74 176.69 3dxj h GLU 64 N 2.41 0.00 -1.01 -0.38 4.81 -1.95 -1.49 114.58 116.97 3dxj h GLU 64 Ca -0.39 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.46 3dxj h GLU 64 Cb 1.24 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 3dxj h GLU 64 CO 0.61 0.00 0.48 1.19 -0.73 0.00 0.00 179.01 180.56 3dxj n PHE 65 N -2.54 2.22 -2.60 0.92 3.01 -1.26 -2.95 117.46 114.26 3dxj n PHE 65 Ca -0.02 -1.50 -0.22 0.00 1.01 0.00 0.00 57.45 56.71 3dxj n PHE 65 Cb 0.06 -0.77 0.07 0.00 -0.01 0.00 0.00 39.48 38.83 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 -0.66 4.85 -0.08 4.37 0.01 -0.57 -5.03 113.70 116.60 3dxj s SER 66 Ca 0.41 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.44 3dxj s SER 66 Cb 0.35 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3dxj s SER 66 CO 0.08 -1.48 0.21 0.28 0.41 0.00 0.00 173.24 172.74 3dxj s THR 67 N -2.95 -0.00 -0.03 1.44 -1.32 -1.26 -3.33 115.64 108.19 3dxj s THR 67 Ca 0.61 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 3dxj s THR 67 Cb -0.08 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.57 3dxj s THR 67 CO 0.41 0.01 -0.00 -0.63 -2.21 0.00 0.00 174.62 172.20 3dxj s ILE 68 N 0.21 4.19 0.60 5.08 1.01 -1.26 -5.02 121.20 126.01 3dxj s ILE 68 Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 3dxj s ILE 68 Cb -0.02 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3dxj s ILE 68 CO -0.00 0.46 1.09 -2.16 0.00 0.00 0.00 174.94 174.33 3dxj s PRO 69 N -1.31 3.14 -0.54 2.79 0.04 -1.26 -3.10 135.00 134.77 3dxj s PRO 69 Ca 0.17 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3dxj s PRO 69 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3dxj s PRO 69 CO 0.07 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.55 3dxj n GLY 70 N -0.49 0.48 2.88 0.56 0.00 -1.26 -4.19 105.19 103.17 3dxj n GLY 70 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.32 1.03 0.01 1.61 1.01 -1.18 -1.18 120.40 120.38 3dxj s VAL 71 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3dxj s VAL 71 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3dxj s VAL 71 CO 0.00 0.16 1.06 0.50 0.00 0.00 0.00 175.10 176.82 3dxj h LYS 72 N 8.14 -0.11 -3.58 2.72 3.64 -1.80 -3.42 116.57 122.16 3dxj h LYS 72 Ca -0.24 0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 58.81 3dxj h LYS 72 Cb 1.12 0.03 0.14 0.00 -0.41 0.00 0.00 32.23 33.10 3dxj h LYS 72 CO 0.39 -0.07 -1.03 0.39 -2.27 0.00 0.00 179.45 176.86 3dxj n GLU 73 N -2.55 0.00 -4.44 1.90 4.71 -1.26 -4.95 120.64 114.04 3dxj n GLU 73 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.80 3dxj n GLU 73 Cb 0.05 -0.60 -0.12 0.00 -1.01 0.00 0.00 31.44 29.76 3dxj n GLU 73 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3dxj s ASP 74 N -0.60 4.77 0.11 1.62 -1.08 -1.26 -4.58 116.67 115.65 3dxj s ASP 74 Ca 0.26 -0.11 -0.21 0.00 -0.52 0.00 0.00 52.55 51.97 3dxj s ASP 74 Cb -0.14 -1.70 -0.05 0.00 -1.46 0.00 0.00 42.92 39.57 3dxj s ASP 74 CO 0.48 0.20 1.17 0.52 0.52 0.00 0.00 175.17 178.06 3dxj n VAL 75 N 3.32 -0.45 -0.09 1.11 0.31 -1.21 0.75 118.33 122.07 3dxj n VAL 75 Ca -0.18 1.83 -0.06 0.00 -0.01 0.00 0.00 64.34 65.92 3dxj n VAL 75 Cb 0.53 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 3dxj n VAL 75 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dxj h VAL 76 N 0.00 0.48 -0.42 2.52 2.07 -1.77 -1.28 116.25 117.85 3dxj h VAL 76 Ca 0.11 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 3dxj h VAL 76 Cb 0.27 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 3dxj h VAL 76 CO -0.63 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 176.66 3dxj h GLU 77 N -0.13 -0.13 -0.69 1.57 4.81 -0.02 -0.79 114.58 119.20 3dxj h GLU 77 Ca 0.17 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.55 3dxj h GLU 77 Cb 0.39 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.70 3dxj h GLU 77 CO -0.41 -0.09 0.18 0.82 -0.73 0.00 0.00 179.01 178.78 3dxj h ILE 78 N -0.14 0.58 -0.12 2.32 2.04 0.87 -1.15 117.51 121.91 3dxj h ILE 78 Ca 0.20 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 66.00 3dxj h ILE 78 Cb 0.45 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3dxj h ILE 78 CO -0.51 0.05 -0.09 0.40 0.00 0.00 0.00 178.15 178.00 3dxj h ILE 79 N 0.29 0.74 -0.93 -0.67 2.04 -0.31 0.12 117.51 118.79 3dxj h ILE 79 Ca 0.38 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.44 3dxj h ILE 79 Cb 0.61 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 3dxj h ILE 79 CO -0.46 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.23 3dxj h LEU 80 N -0.10 0.48 -1.62 1.44 3.38 -0.47 1.01 115.31 119.43 3dxj h LEU 80 Ca 0.08 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3dxj h LEU 80 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3dxj h LEU 80 CO -0.18 0.18 -0.20 0.78 0.09 0.00 0.00 178.44 179.11 3dxj h ASN 81 N 0.47 0.00 0.93 -0.43 -0.26 -0.08 -2.66 115.58 113.55 3dxj h ASN 81 Ca 0.50 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 56.07 3dxj h ASN 81 Cb 1.14 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.38 3dxj h ASN 81 CO -0.22 0.20 -0.77 -0.07 -1.06 0.00 0.00 177.43 175.51 3dxj h LEU 82 N 0.00 0.00 -2.83 1.61 3.38 0.17 -2.92 115.31 114.72 3dxj h LEU 82 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dxj h LEU 82 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dxj h LEU 82 CO 0.03 0.77 0.00 0.11 0.09 0.00 0.00 178.44 179.44 3dxj h LYS 83 N 0.00 0.00 0.00 1.13 1.57 -1.06 0.13 116.57 118.35 3dxj h LYS 83 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3dxj h LYS 83 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 3dxj h LYS 83 CO 0.10 0.00 -1.01 0.93 -0.57 0.00 0.00 179.45 178.90 3dxj h GLU 84 N 0.00 0.00 -6.24 3.15 4.39 -1.59 -3.46 114.58 110.84 3dxj h GLU 84 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 3dxj h GLU 84 Cb 0.02 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3dxj h GLU 84 CO 0.00 0.46 1.21 -0.11 -1.16 0.00 0.00 179.01 179.41 3dxj n LEU 85 N -3.08 3.51 -4.38 1.33 7.94 0.46 -4.95 117.00 117.83 3dxj n LEU 85 Ca -0.04 0.81 -0.33 0.00 -1.11 0.00 0.00 56.01 55.34 3dxj n LEU 85 Cb 0.82 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 43.20 3dxj n LEU 85 CO 0.42 -0.12 -0.45 0.54 -1.11 0.00 0.00 177.39 176.68 3dxj s VAL 86 N 4.98 3.07 0.16 1.96 0.11 -1.26 -4.79 120.40 124.63 3dxj s VAL 86 Ca 0.94 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 59.30 3dxj s VAL 86 Cb -0.60 -2.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 3dxj s VAL 86 CO 0.47 0.53 0.14 0.68 -3.33 0.00 0.00 175.10 173.59 3dxj s VAL 87 N 0.28 0.07 -0.02 2.04 -7.23 -1.26 -0.90 120.40 113.37 3dxj s VAL 87 Ca -0.09 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 3dxj s VAL 87 Cb -0.16 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.68 3dxj s VAL 87 CO 0.05 -0.31 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.79 3dxj s ARG 88 N -4.05 1.27 -0.50 4.82 3.52 0.09 -4.78 118.95 119.33 3dxj s ARG 88 Ca 0.25 -0.48 -0.20 0.00 -0.13 0.00 0.00 55.73 55.17 3dxj s ARG 88 Cb 0.06 -1.17 0.05 0.00 -1.56 0.00 0.00 34.95 32.32 3dxj s ARG 88 CO 0.04 0.23 0.68 -0.06 -0.81 0.00 0.00 175.30 175.38 3dxj s PHE 89 N -0.07 3.01 0.17 5.12 0.08 -1.26 -2.34 117.98 122.68 3dxj s PHE 89 Ca 0.00 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 56.57 3dxj s PHE 89 Cb -0.08 -3.59 0.08 0.00 -0.57 0.00 0.00 43.02 38.86 3dxj s PHE 89 CO 0.00 -1.05 1.81 -0.07 -0.10 0.00 0.00 175.22 175.81 3dxj h LEU 90 N 9.93 0.45 -9.12 -0.37 3.38 -1.89 -3.39 115.31 114.29 3dxj h LEU 90 Ca -0.27 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.11 3dxj h LEU 90 Cb 1.09 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 3dxj h LEU 90 CO 0.97 0.32 0.09 0.21 0.09 0.00 0.00 178.44 180.12 3dxj s ASN 91 N -5.55 6.67 0.20 -0.43 3.84 -1.26 -4.94 114.94 113.47 3dxj s ASN 91 Ca -0.13 0.81 0.16 0.00 0.21 0.00 0.00 52.86 53.92 3dxj s ASN 91 Cb 0.12 -2.34 0.81 0.00 -0.55 0.00 0.00 41.25 39.29 3dxj s ASN 91 CO 0.73 -0.26 1.50 -2.65 -2.79 0.00 0.00 177.10 173.63 3dxj n PRO 92 N 4.99 0.11 -0.01 0.43 -0.02 -1.26 -2.04 135.00 137.19 3dxj n PRO 92 Ca -0.02 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 3dxj n PRO 92 Cb 0.50 -1.79 0.66 0.00 -0.02 0.00 0.00 33.50 32.84 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 -2.01 0.63 -4.78 2.55 7.64 -1.26 -4.82 113.62 111.57 3dxj n SER 93 Ca 0.00 -1.34 -0.38 0.00 1.01 0.00 0.00 58.87 58.16 3dxj n SER 93 Cb 0.08 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 3dxj n SER 93 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dxj s LEU 94 N -1.83 4.41 0.00 -3.43 0.20 -0.86 -4.96 118.68 112.20 3dxj s LEU 94 Ca 0.38 0.96 0.00 0.00 0.69 0.00 0.00 54.13 56.16 3dxj s LEU 94 Cb 0.19 -2.69 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 3dxj s LEU 94 CO 0.31 0.18 0.00 0.00 -0.29 0.00 0.00 176.35 176.55 3dxj n GLN 95 N 2.55 0.92 -4.12 1.98 1.13 -1.26 -4.87 117.38 113.71 3dxj n GLN 95 Ca -0.10 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.85 3dxj n GLN 95 Cb 0.52 -0.96 -0.09 0.00 0.11 0.00 0.00 30.24 29.82 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 -1.91 0.05 0.00 5.09 -1.32 -1.26 -1.60 115.64 114.68 3dxj s THR 96 Ca 0.00 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 58.69 3dxj s THR 96 Cb 0.00 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 3dxj s THR 96 CO 0.00 -0.21 0.00 0.55 -2.21 0.00 0.00 174.62 172.75 3dxj n VAL 97 N -0.21 0.00 -4.13 5.08 3.14 -0.93 -5.01 118.33 116.26 3dxj n VAL 97 Ca -0.03 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.01 3dxj n VAL 97 Cb 0.64 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.21 4.57 -0.35 1.55 2.01 -1.26 -1.62 115.64 119.33 3dxj s THR 98 Ca 0.00 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 3dxj s THR 98 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 3dxj s THR 98 CO 0.00 0.49 0.25 -0.76 -0.69 0.00 0.00 174.62 173.91 3dxj s LEU 99 N 0.14 4.57 0.75 4.42 1.43 -0.94 -4.88 118.68 124.18 3dxj s LEU 99 Ca 0.03 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 3dxj s LEU 99 Cb -0.13 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 44.00 3dxj s LEU 99 CO 0.01 -0.25 1.10 -0.22 0.23 0.00 0.00 176.35 177.22 3dxj s LEU 100 N 1.72 2.73 0.00 1.79 0.20 -1.26 -2.42 118.68 121.44 3dxj s LEU 100 Ca 0.06 1.16 0.00 0.00 0.69 0.00 0.00 54.13 56.04 3dxj s LEU 100 Cb -0.18 -3.85 0.00 0.00 -0.43 0.00 0.00 46.19 41.73 3dxj s LEU 100 CO 0.10 -1.65 0.00 -0.11 -0.29 0.00 0.00 176.35 174.40 3dxj n LEU 101 N -3.21 0.00 -3.74 -0.68 7.94 -0.77 0.40 117.00 116.93 3dxj n LEU 101 Ca 0.07 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.85 3dxj n LEU 101 Cb 0.57 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.41 3dxj n LEU 101 CO 0.57 0.00 -0.01 -0.54 -1.11 0.00 0.00 177.39 176.30 3dxj s LYS 102 N -0.97 0.36 0.20 1.96 1.02 -1.26 0.02 119.74 121.07 3dxj s LYS 102 Ca 0.00 0.52 -0.00 0.00 0.02 0.00 0.00 55.97 56.51 3dxj s LYS 102 Cb 0.00 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 3dxj s LYS 102 CO 0.00 -0.08 0.10 0.00 -0.92 0.00 0.00 175.35 174.45 3dxj s ALA 103 N 0.54 1.28 0.10 5.17 0.00 0.57 -4.95 121.76 124.48 3dxj s ALA 103 Ca -0.03 -1.70 -0.21 0.00 0.00 0.00 0.00 51.96 50.02 3dxj s ALA 103 Cb -0.04 1.17 0.05 0.00 0.00 0.00 0.00 23.12 24.30 3dxj s ALA 103 CO -0.03 -0.52 0.51 -1.21 0.00 0.00 0.00 175.76 174.51 3dxj s GLU 104 N -4.09 1.12 0.58 0.00 8.01 -1.26 -0.72 118.70 122.34 3dxj s GLU 104 Ca 0.36 -0.44 0.00 0.00 0.01 0.00 0.00 54.97 54.89 3dxj s GLU 104 Cb 0.07 0.51 0.00 0.00 -4.31 0.00 0.00 34.13 30.40 3dxj s GLU 104 CO 0.10 -0.44 0.00 0.41 0.01 0.00 0.00 175.26 175.34 3dxj n GLY 105 N -0.02 -1.78 3.64 -1.39 0.00 -0.88 -4.65 105.19 100.12 3dxj n GLY 105 Ca -0.17 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 3dxj n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dxj s PRO 106 N -1.76 3.97 -0.28 1.61 0.04 -1.06 -3.62 135.00 133.90 3dxj s PRO 106 Ca 0.00 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 3dxj s PRO 106 Cb 0.00 -3.98 0.18 0.00 0.04 0.00 0.00 34.50 30.74 3dxj s PRO 106 CO 0.00 -1.08 1.36 -1.59 0.04 0.00 0.00 177.00 175.73 3dxj s LYS 107 N 4.32 0.06 0.51 4.56 -2.85 -0.66 -4.84 119.74 120.84 3dxj s LYS 107 Ca 0.70 0.01 -0.05 0.00 -1.00 0.00 0.00 55.97 55.62 3dxj s LYS 107 Cb -0.27 0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.51 3dxj s LYS 107 CO 0.27 -0.02 0.81 -2.00 0.10 0.00 0.00 175.35 174.51 3dxj s GLU 108 N -1.24 3.32 -0.10 1.78 2.12 -1.26 0.61 118.70 123.92 3dxj s GLU 108 Ca 0.09 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.50 3dxj s GLU 108 Cb -0.01 -2.36 0.02 0.00 0.26 0.00 0.00 34.13 32.04 3dxj s GLU 108 CO -0.07 -0.35 -0.09 0.08 -0.54 0.00 0.00 175.26 174.30 3dxj s VAL 109 N -2.79 1.04 0.38 3.70 1.01 0.85 -4.90 120.40 119.68 3dxj s VAL 109 Ca 0.49 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3dxj s VAL 109 Cb -0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3dxj s VAL 109 CO 0.44 0.36 0.39 -0.54 0.00 0.00 0.00 175.10 175.75 3dxj s LYS 110 N 1.44 2.71 0.52 2.72 -0.14 -1.26 0.17 119.74 125.90 3dxj s LYS 110 Ca -0.00 -1.35 0.28 0.00 -1.36 0.00 0.00 55.97 53.54 3dxj s LYS 110 Cb -0.13 -2.52 1.44 0.00 -1.68 0.00 0.00 37.83 34.93 3dxj s LYS 110 CO -0.05 -0.08 2.06 0.00 -0.76 0.00 0.00 175.35 176.51 3dxj h ALA 111 N 1.02 1.23 0.00 5.17 0.00 0.12 -2.16 119.26 124.64 3dxj h ALA 111 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3dxj h ALA 111 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dxj h ALA 111 CO 0.55 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.84 3dxj n ARG 112 N -3.57 0.29 0.00 0.00 1.85 0.33 -2.67 116.66 112.89 3dxj n ARG 112 Ca -0.02 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.94 3dxj n ARG 112 Cb 0.25 -1.00 -0.08 0.00 -1.05 0.00 0.00 32.46 30.58 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 -0.50 0.94 -4.73 2.89 8.00 -0.81 -4.98 116.55 117.36 3dxj n ASP 113 Ca 0.00 -0.91 -0.31 0.00 0.71 0.00 0.00 54.79 54.27 3dxj n ASP 113 Cb 0.00 0.91 0.12 0.00 -0.02 0.00 0.00 41.12 42.13 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 -3.00 2.18 -0.55 1.24 0.40 -1.09 -4.75 117.98 112.42 3dxj s PHE 114 Ca 0.08 1.65 -0.28 0.00 -0.60 0.00 0.00 56.93 57.78 3dxj s PHE 114 Cb 0.16 -3.19 0.02 0.00 0.51 0.00 0.00 43.02 40.52 3dxj s PHE 114 CO 0.85 -2.23 1.26 -0.51 0.70 0.00 0.00 175.22 175.29 3dxj s LEU 115 N -6.07 3.48 0.44 -0.37 1.43 0.16 -4.96 118.68 112.78 3dxj s LEU 115 Ca 0.64 0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.77 3dxj s LEU 115 Cb -0.20 -3.23 -0.11 0.00 0.03 0.00 0.00 46.19 42.68 3dxj s LEU 115 CO 0.55 -1.50 0.81 -0.81 0.23 0.00 0.00 176.35 175.64 3dxj n PRO 116 N 8.38 0.98 -4.67 1.29 -0.04 -1.26 -4.19 135.00 135.48 3dxj n PRO 116 Ca 0.11 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.69 3dxj n PRO 116 Cb 0.49 -1.83 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.37 1.16 0.23 0.52 1.01 -1.26 -5.05 120.40 115.63 3dxj s VAL 117 Ca 0.64 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3dxj s VAL 117 Cb -0.56 -0.98 -0.16 0.00 0.00 0.00 0.00 36.38 34.68 3dxj s VAL 117 CO 0.56 0.33 0.87 0.00 0.00 0.00 0.00 175.10 176.87 3dxj n ALA 118 N 2.86 -1.39 -4.06 5.51 0.00 -1.26 -1.45 120.51 120.72 3dxj n ALA 118 Ca -0.15 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 3dxj n ALA 118 Cb 0.54 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 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 1.64 -2.33 -3.65 0.00 8.00 -1.26 -4.95 116.55 114.00 3dxj n ASP 119 Ca 0.14 -0.97 -0.21 0.00 0.71 0.00 0.00 54.79 54.45 3dxj n ASP 119 Cb 0.27 -3.06 -0.17 0.00 -0.02 0.00 0.00 41.12 38.13 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 -3.56 -0.12 -0.10 2.53 1.01 -0.53 -2.64 120.40 116.98 3dxj s VAL 120 Ca 0.43 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3dxj s VAL 120 Cb -0.23 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.89 3dxj s VAL 120 CO 0.90 0.05 -0.10 -0.70 0.00 0.00 0.00 175.10 175.25 3dxj s GLU 121 N 2.18 1.67 0.73 2.72 2.12 -0.99 -4.53 118.70 122.60 3dxj s GLU 121 Ca 0.04 -0.34 -0.11 0.00 0.36 0.00 0.00 54.97 54.92 3dxj s GLU 121 Cb -0.13 -1.57 0.03 0.00 0.26 0.00 0.00 34.13 32.72 3dxj s GLU 121 CO -0.05 -0.16 1.08 0.42 -0.54 0.00 0.00 175.26 176.01 3dxj s ILE 122 N 1.31 3.62 0.00 -3.70 1.01 -1.26 -0.73 121.20 121.44 3dxj s ILE 122 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.15 3dxj s ILE 122 Cb -0.14 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3dxj s ILE 122 CO -0.04 -0.69 0.70 0.23 0.00 0.00 0.00 174.94 175.14 3dxj n MET 123 N -3.19 1.29 -2.66 2.79 2.81 -0.07 -4.71 117.12 113.37 3dxj n MET 123 Ca 0.07 -0.92 -0.09 0.00 -1.81 0.00 0.00 57.70 54.95 3dxj n MET 123 Cb 0.55 -0.74 0.03 0.00 -0.71 0.00 0.00 33.22 32.35 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 -0.22 1.94 -0.30 7.83 4.13 -1.26 -4.91 115.26 122.47 3dxj n ASN 124 Ca 0.00 -2.66 0.13 0.00 1.68 0.00 0.00 54.58 53.73 3dxj n ASN 124 Cb 0.36 -0.50 0.30 0.00 -1.54 0.00 0.00 39.78 38.39 3dxj n ASN 124 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3dxj h PRO 125 N 2.81 0.36 -0.50 3.52 0.13 -1.89 0.90 132.00 137.33 3dxj h PRO 125 Ca -0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3dxj h PRO 125 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3dxj h PRO 125 CO 0.45 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 3dxj n ASP 126 N -5.07 2.32 -4.70 1.44 8.00 -1.26 0.12 116.55 117.40 3dxj n ASP 126 Ca 0.22 -2.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.15 3dxj n ASP 126 Cb 0.65 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.10 4.36 0.41 0.64 2.96 0.31 -4.74 118.68 121.53 3dxj s LEU 127 Ca 0.24 2.45 -0.25 0.00 -0.22 0.00 0.00 54.13 56.35 3dxj s LEU 127 Cb 0.15 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.18 3dxj s LEU 127 CO 0.13 -0.82 1.20 -2.28 -1.32 0.00 0.00 176.35 173.25 3dxj s HIS 128 N 2.10 2.97 0.00 5.38 5.65 -1.26 -1.07 115.29 129.06 3dxj s HIS 128 Ca 0.71 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.54 3dxj s HIS 128 Cb -0.39 -3.45 0.00 0.00 -1.18 0.00 0.00 32.58 27.56 3dxj s HIS 128 CO 0.31 -1.52 0.00 -0.89 -0.65 0.00 0.00 174.74 171.99 3dxj n ILE 129 N -0.04 0.00 -3.57 0.89 5.41 0.13 -4.87 119.36 117.30 3dxj n ILE 129 Ca 0.05 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.74 3dxj n ILE 129 Cb 0.46 -0.54 -0.02 0.00 -0.71 0.00 0.00 39.64 38.84 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 -1.71 -1.93 -0.07 -1.39 0.00 -1.23 -4.75 121.76 110.68 3dxj s ALA 130 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.09 3dxj s ALA 130 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3dxj s ALA 130 CO 0.00 -0.73 -0.20 0.95 0.00 0.00 0.00 175.76 175.78 3dxj s THR 131 N -2.83 1.69 0.32 0.00 -4.23 -1.26 -0.11 115.64 109.23 3dxj s THR 131 Ca 0.08 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 3dxj s THR 131 Cb -0.00 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 3dxj s THR 131 CO -0.06 0.48 0.22 -0.76 -0.54 0.00 0.00 174.62 173.96 3dxj s LEU 132 N 0.24 3.51 0.31 4.79 1.43 0.20 -2.97 118.68 126.18 3dxj s LEU 132 Ca -0.11 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 3dxj s LEU 132 Cb -0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3dxj s LEU 132 CO 0.05 -0.27 0.24 -0.70 0.23 0.00 0.00 176.35 175.89 3dxj s GLU 133 N -3.91 1.65 0.30 1.70 2.12 -0.33 -1.66 118.70 118.57 3dxj s GLU 133 Ca 0.38 -1.95 -0.30 0.00 0.36 0.00 0.00 54.97 53.47 3dxj s GLU 133 Cb -0.05 0.24 -0.12 0.00 0.26 0.00 0.00 34.13 34.45 3dxj s GLU 133 CO 0.25 -0.58 1.43 0.39 -0.54 0.00 0.00 175.26 176.21 3dxj n GLU 134 N -0.57 2.30 0.00 4.30 1.02 -1.26 -2.01 120.64 124.42 3dxj n GLU 134 Ca 0.05 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 3dxj n GLU 134 Cb 0.63 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 3dxj n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxj n GLY 135 N 1.61 1.98 3.69 0.62 0.00 -1.26 -4.69 105.19 107.14 3dxj n GLY 135 Ca 0.08 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 3dxj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 136 N 0.00 1.25 2.97 -0.02 0.00 -0.85 -4.84 105.19 103.70 3dxj n GLY 136 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 3dxj n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxj s ARG 137 N 0.83 0.44 0.00 1.61 3.52 -1.26 -2.08 118.95 122.02 3dxj s ARG 137 Ca 0.76 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 3dxj s ARG 137 Cb -0.61 -0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 32.38 3dxj s ARG 137 CO 0.37 0.10 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.79 3dxj s LEU 138 N -0.34 2.05 -0.16 -0.88 2.96 0.10 -4.99 118.68 117.42 3dxj s LEU 138 Ca 0.00 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 3dxj s LEU 138 Cb -0.03 0.02 0.05 0.00 0.50 0.00 0.00 46.19 46.73 3dxj s LEU 138 CO -0.00 -0.06 0.39 0.21 -1.32 0.00 0.00 176.35 175.57 3dxj s ASN 139 N -0.30 -0.47 0.18 3.68 2.47 -1.26 0.21 114.94 119.44 3dxj s ASN 139 Ca -0.03 0.84 -0.24 0.00 0.42 0.00 0.00 52.86 53.85 3dxj s ASN 139 Cb -0.02 0.74 0.06 0.00 -1.45 0.00 0.00 41.25 40.58 3dxj s ASN 139 CO -0.00 -0.18 0.93 0.00 -3.72 0.00 0.00 177.10 174.13 3dxj s MET 140 N 1.16 1.30 0.04 0.43 0.23 0.10 -1.53 119.30 121.04 3dxj s MET 140 Ca -0.08 -0.73 0.06 0.00 -1.03 0.00 0.00 55.69 53.90 3dxj s MET 140 Cb -0.08 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.64 3dxj s MET 140 CO -0.10 -0.60 -0.16 -1.21 -2.03 0.00 0.00 175.02 170.92 3dxj s GLU 141 N -3.25 1.06 -0.22 3.16 2.02 -0.99 -1.85 118.70 118.63 3dxj s GLU 141 Ca 0.13 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 3dxj s GLU 141 Cb -0.02 -1.11 0.06 0.00 0.10 0.00 0.00 34.13 33.17 3dxj s GLU 141 CO 0.03 0.28 0.03 0.08 0.02 0.00 0.00 175.26 175.69 3dxj s VAL 142 N -0.86 0.76 -0.06 2.63 1.01 -1.02 -2.16 120.40 120.70 3dxj s VAL 142 Ca 0.03 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3dxj s VAL 142 Cb -0.08 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3dxj s VAL 142 CO 0.02 -0.25 1.18 -0.60 0.00 0.00 0.00 175.10 175.45 3dxj s ARG 143 N 1.74 4.36 -0.07 2.72 3.52 -0.04 -2.22 118.95 128.96 3dxj s ARG 143 Ca -0.01 1.65 0.05 0.00 -0.13 0.00 0.00 55.73 57.29 3dxj s ARG 143 Cb -0.17 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 29.66 3dxj s ARG 143 CO -0.10 -0.43 -0.22 0.08 -0.81 0.00 0.00 175.30 173.82 3dxj s VAL 144 N 2.18 1.82 0.20 7.11 1.01 -0.64 0.15 120.40 132.23 3dxj s VAL 144 Ca 0.55 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3dxj s VAL 144 Cb -0.24 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3dxj s VAL 144 CO 0.22 0.51 -0.02 -1.81 0.00 0.00 0.00 175.10 173.99 3dxj s ASP 145 N 0.13 1.71 -0.04 3.32 -0.00 0.26 -2.20 116.67 119.85 3dxj s ASP 145 Ca -0.10 -1.17 -0.13 0.00 -0.00 0.00 0.00 52.55 51.16 3dxj s ASP 145 Cb -0.15 0.02 -0.05 0.00 -0.00 0.00 0.00 42.92 42.74 3dxj s ASP 145 CO 0.05 -0.48 0.34 -0.60 -0.00 0.00 0.00 175.17 174.47 3dxj s ARG 146 N -3.85 3.81 0.00 8.23 3.52 -0.63 0.12 118.95 130.15 3dxj s ARG 146 Ca 0.25 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 3dxj s ARG 146 Cb 0.05 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3dxj s ARG 146 CO 0.06 0.69 0.00 0.41 -0.81 0.00 0.00 175.30 175.66 3dxj n GLY 147 N 1.93 2.01 3.16 8.12 0.00 0.16 -4.94 105.19 115.63 3dxj n GLY 147 Ca -0.15 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.66 0.09 0.00 1.61 -7.23 -1.26 0.17 120.40 111.12 3dxj s VAL 148 Ca 0.00 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 3dxj s VAL 148 Cb 0.00 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.26 3dxj s VAL 148 CO 0.00 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 3dxj n GLY 149 N 1.08 0.28 3.82 2.32 0.00 -1.26 -4.73 105.19 106.69 3dxj n GLY 149 Ca -0.21 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 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 3.61 -0.30 1.61 5.04 -1.26 -2.87 117.35 123.18 3dxj s TYR 150 Ca 0.00 0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 3dxj s TYR 150 Cb 0.00 -2.19 0.12 0.00 0.35 0.00 0.00 41.96 40.24 3dxj s TYR 150 CO 0.00 0.56 0.20 0.08 -1.34 0.00 0.00 175.55 175.06 3dxj s VAL 151 N -0.62 -0.18 0.64 3.14 1.01 0.68 -4.93 120.40 120.15 3dxj s VAL 151 Ca 0.19 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3dxj s VAL 151 Cb -0.14 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3dxj s VAL 151 CO 0.07 -0.66 1.31 -2.16 0.00 0.00 0.00 175.10 173.66 3dxj s PRO 152 N 2.06 2.58 0.53 2.72 0.04 -1.26 0.25 135.00 141.93 3dxj s PRO 152 Ca 0.10 2.09 0.20 0.00 0.04 0.00 0.00 61.00 63.44 3dxj s PRO 152 Cb -0.16 -1.87 1.37 0.00 0.04 0.00 0.00 34.50 33.87 3dxj s PRO 152 CO -0.31 -1.59 2.12 0.00 0.04 0.00 0.00 177.00 177.27 3dxj h ALA 153 N 0.60 2.06 -0.04 8.56 0.00 -1.87 0.28 119.26 128.85 3dxj h ALA 153 Ca -0.51 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3dxj h ALA 153 Cb 1.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3dxj h ALA 153 CO 0.53 -0.16 -0.43 0.93 0.00 0.00 0.00 179.25 180.13 3dxj h GLU 154 N 0.00 0.09 0.17 0.00 3.07 -1.93 -3.23 114.58 112.75 3dxj h GLU 154 Ca 0.06 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3dxj h GLU 154 Cb 0.25 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3dxj h GLU 154 CO -0.00 0.51 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.78 3dxj h LYS 155 N 0.08 -0.27 -7.24 2.33 1.63 -0.78 -3.44 116.57 108.89 3dxj h LYS 155 Ca 0.00 0.02 -0.49 0.00 -0.85 0.00 0.00 60.65 59.33 3dxj h LYS 155 Cb 0.79 0.06 0.04 0.00 -0.60 0.00 0.00 32.23 32.52 3dxj h LYS 155 CO 0.06 -0.18 0.36 -3.38 -3.45 0.00 0.00 179.45 172.86 3dxj s HIS 156 N -3.69 3.56 -0.46 1.91 -3.43 -1.18 -5.00 115.29 107.00 3dxj s HIS 156 Ca -0.04 1.30 0.05 0.00 -0.80 0.00 0.00 55.06 55.56 3dxj s HIS 156 Cb 0.01 -2.69 0.42 0.00 -1.43 0.00 0.00 32.58 28.88 3dxj s HIS 156 CO 0.14 -0.51 1.22 0.41 -2.00 0.00 0.00 174.74 174.00 3dxj n GLY 157 N -2.23 6.02 3.56 -1.38 0.00 -1.26 -4.88 105.19 105.02 3dxj n GLY 157 Ca 0.06 -2.72 -0.23 0.00 0.00 0.00 0.00 46.02 43.13 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 -5.35 3.33 -0.66 -0.61 -1.09 -1.26 -4.88 121.20 110.68 3dxj s ILE 158 Ca 0.49 -0.30 0.06 0.00 -2.23 0.00 0.00 60.65 58.67 3dxj s ILE 158 Cb 0.41 -3.77 0.22 0.00 -1.58 0.00 0.00 42.46 37.73 3dxj s ILE 158 CO -0.17 -0.68 0.64 0.29 -1.23 0.00 0.00 174.94 173.78 3dxj n LYS 159 N 8.80 2.17 0.20 2.79 4.76 -1.26 -4.54 118.16 131.07 3dxj n LYS 159 Ca 0.42 -4.54 -0.08 0.00 -2.87 0.00 0.00 58.31 51.25 3dxj n LYS 159 Cb 0.46 -2.23 -0.04 0.00 -1.84 0.00 0.00 35.03 31.38 3dxj n LYS 159 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3dxj h ASP 160 N 4.67 -0.45 -2.93 4.39 3.32 -1.97 -3.43 116.42 120.01 3dxj h ASP 160 Ca 0.18 0.02 -0.65 0.00 0.02 0.00 0.00 57.03 56.59 3dxj h ASP 160 Cb 0.71 0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.27 3dxj h ASP 160 CO 0.77 -0.20 -0.52 -0.13 -1.72 0.00 0.00 179.24 177.45 3dxj s ARG 161 N -3.53 3.54 0.62 3.56 0.52 -1.26 -4.98 118.95 117.43 3dxj s ARG 161 Ca -0.08 -0.22 0.29 0.00 -0.52 0.00 0.00 55.73 55.21 3dxj s ARG 161 Cb 0.01 -3.16 1.56 0.00 0.52 0.00 0.00 34.95 33.88 3dxj s ARG 161 CO 0.23 0.64 1.93 -0.84 0.02 0.00 0.00 175.30 177.28 3dxj h ILE 162 N 4.22 0.23 -0.49 1.52 3.07 -2.00 0.93 117.51 124.99 3dxj h ILE 162 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3dxj h ILE 162 Cb 1.20 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 3dxj h ILE 162 CO 0.62 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.31 3dxj n ASN 163 N -3.39 3.55 -4.31 2.16 5.03 -1.26 -4.96 115.26 112.08 3dxj n ASN 163 Ca 0.03 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.22 3dxj n ASN 163 Cb 0.51 -0.32 0.23 0.00 -1.02 0.00 0.00 39.78 39.18 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 -1.27 0.11 -0.14 5.41 0.00 0.32 -4.51 121.76 121.69 3dxj s ALA 164 Ca 0.40 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 3dxj s ALA 164 Cb 0.23 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 20.32 3dxj s ALA 164 CO 0.31 -3.59 0.26 0.42 0.00 0.00 0.00 175.76 173.16 3dxj s ILE 165 N -2.71 -0.41 0.65 0.00 1.01 0.53 -4.92 121.20 115.34 3dxj s ILE 165 Ca 0.68 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 3dxj s ILE 165 Cb -0.19 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 3dxj s ILE 165 CO 0.60 0.06 1.09 -2.16 0.00 0.00 0.00 174.94 174.53 3dxj s PRO 166 N 2.42 2.91 -0.01 2.79 0.04 -1.26 0.90 135.00 142.78 3dxj s PRO 166 Ca 0.03 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.37 3dxj s PRO 166 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3dxj s PRO 166 CO -0.09 -1.15 -0.04 0.08 0.04 0.00 0.00 177.00 175.84 3dxj s VAL 167 N -2.45 0.35 0.66 -0.36 1.01 0.14 -4.83 120.40 114.92 3dxj s VAL 167 Ca 0.65 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 3dxj s VAL 167 Cb -0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3dxj s VAL 167 CO 0.42 0.12 0.83 0.47 0.00 0.00 0.00 175.10 176.94 3dxj n ASP 168 N 3.30 0.07 -4.10 3.32 8.00 -1.26 -4.12 116.55 121.76 3dxj n ASP 168 Ca -0.17 0.71 -0.28 0.00 0.71 0.00 0.00 54.79 55.76 3dxj n ASP 168 Cb 0.56 -1.34 -0.17 0.00 -0.02 0.00 0.00 41.12 40.16 3dxj n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxj s ALA 169 N -1.72 1.65 -0.37 2.24 0.00 0.71 -4.78 121.76 119.49 3dxj s ALA 169 Ca 0.73 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3dxj s ALA 169 Cb -0.38 -0.69 0.11 0.00 0.00 0.00 0.00 23.12 22.15 3dxj s ALA 169 CO 0.51 0.15 0.10 0.14 0.00 0.00 0.00 175.76 176.66 3dxj s VAL 170 N 0.59 2.51 -0.08 0.00 -7.23 -1.26 -0.23 120.40 114.71 3dxj s VAL 170 Ca -0.15 -2.37 -0.03 0.00 -1.81 0.00 0.00 61.98 57.61 3dxj s VAL 170 Cb -0.16 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 3dxj s VAL 170 CO 0.05 -0.64 -0.06 -0.26 -0.31 0.00 0.00 175.10 173.88 3dxj h PHE 171 N 7.60 0.00 -0.16 2.82 -1.00 -1.73 -3.44 116.94 121.04 3dxj h PHE 171 Ca -0.06 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.53 3dxj h PHE 171 Cb 1.01 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.57 3dxj h PHE 171 CO 0.49 0.00 0.19 0.45 -1.61 0.00 0.00 178.31 177.83 3dxj n SER 172 N -3.72 0.24 -0.20 2.17 2.88 -1.26 -4.01 113.62 109.72 3dxj n SER 172 Ca -0.02 0.23 0.12 0.00 -1.33 0.00 0.00 58.87 57.86 3dxj n SER 172 Cb 0.09 -0.19 0.60 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.10 1.27 -2.85 -1.46 -0.04 -1.26 -4.81 135.00 126.95 3dxj n PRO 173 Ca 0.08 -0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 3dxj n PRO 173 Cb -0.01 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.95 4.79 -1.25 0.52 1.01 -1.26 0.05 120.40 122.31 3dxj s VAL 174 Ca 0.35 1.62 0.21 0.00 0.00 0.00 0.00 61.98 64.16 3dxj s VAL 174 Cb 0.17 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 3dxj s VAL 174 CO 0.28 -0.12 0.92 0.54 0.00 0.00 0.00 175.10 176.71 3dxj n ARG 175 N 6.11 0.56 0.00 2.72 1.74 0.66 -4.91 116.66 123.55 3dxj n ARG 175 Ca 0.07 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 3dxj n ARG 175 Cb 0.47 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3dxj n ARG 175 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dxj n ARG 176 N -1.06 0.00 -3.56 5.56 1.74 -0.96 -4.92 116.66 113.46 3dxj n ARG 176 Ca 0.05 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 3dxj n ARG 176 Cb 0.36 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.72 3dxj n ARG 176 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dxj s VAL 177 N -2.00 -0.76 -0.05 1.55 1.01 -1.26 -1.58 120.40 117.32 3dxj s VAL 177 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 3dxj s VAL 177 Cb 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.62 3dxj s VAL 177 CO 0.00 0.02 0.10 0.00 0.00 0.00 0.00 175.10 175.22 3dxj s ALA 178 N 2.69 -0.14 0.43 5.51 0.00 -0.99 -5.02 121.76 124.25 3dxj s ALA 178 Ca 0.02 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.58 3dxj s ALA 178 Cb -0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 3dxj s ALA 178 CO -0.15 -0.15 0.08 -0.59 0.00 0.00 0.00 175.76 174.95 3dxj s PHE 179 N 1.16 2.43 -0.15 0.00 -0.12 -1.26 -1.65 117.98 118.39 3dxj s PHE 179 Ca -0.09 -0.69 -0.06 0.00 -0.05 0.00 0.00 56.93 56.04 3dxj s PHE 179 Cb -0.12 -1.83 0.06 0.00 -0.63 0.00 0.00 43.02 40.51 3dxj s PHE 179 CO -0.05 0.29 0.33 -0.65 -0.05 0.00 0.00 175.22 175.09 3dxj s GLN 180 N -3.82 0.26 -0.23 1.99 -0.21 0.11 -4.93 119.66 112.83 3dxj s GLN 180 Ca 0.33 0.78 -0.12 0.00 0.02 0.00 0.00 55.36 56.37 3dxj s GLN 180 Cb 0.06 0.03 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 3dxj s GLN 180 CO 0.18 -0.22 0.23 0.08 -2.12 0.00 0.00 175.29 173.44 3dxj s VAL 181 N 1.95 5.31 -0.16 1.09 1.01 -1.26 -0.49 120.40 127.85 3dxj s VAL 181 Ca -0.04 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3dxj s VAL 181 Cb -0.11 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3dxj s VAL 181 CO -0.11 0.32 0.01 -1.83 0.00 0.00 0.00 175.10 173.50 3dxj s GLU 182 N 1.10 0.81 -0.48 2.72 -1.05 -0.95 -4.87 118.70 115.99 3dxj s GLU 182 Ca 0.11 -0.33 -0.45 0.00 -0.15 0.00 0.00 54.97 54.15 3dxj s GLU 182 Cb -0.14 -1.85 -0.19 0.00 -0.44 0.00 0.00 34.13 31.52 3dxj s GLU 182 CO 0.05 -0.52 1.55 -3.47 0.95 0.00 0.00 175.26 173.82 3dxj n ASP 183 N 5.03 1.13 -4.31 0.83 -0.08 -1.25 -2.77 116.55 115.13 3dxj n ASP 183 Ca -0.09 1.11 -0.29 0.00 -1.51 0.00 0.00 54.79 54.01 3dxj n ASP 183 Cb 0.48 -0.84 -0.15 0.00 2.34 0.00 0.00 41.12 42.95 3dxj n ASP 183 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3dxj s THR 184 N 3.00 1.98 0.28 5.18 -1.32 -0.87 -4.92 115.64 118.97 3dxj s THR 184 Ca 1.01 -1.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 3dxj s THR 184 Cb -1.43 -1.69 0.04 0.00 -1.51 0.00 0.00 72.50 67.91 3dxj s THR 184 CO 0.77 0.36 0.36 -2.11 -2.21 0.00 0.00 174.62 171.80 3dxj n ARG 185 N 1.92 0.84 -1.07 7.08 1.85 -1.26 -2.94 116.66 123.09 3dxj n ARG 185 Ca -0.17 -1.53 -0.00 0.00 -1.00 0.00 0.00 57.85 55.15 3dxj n ARG 185 Cb 0.52 -0.08 -0.01 0.00 -1.05 0.00 0.00 32.46 31.84 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 0.13 0.00 2.89 7.94 0.51 -4.87 117.00 123.60 3dxj n LEU 186 Ca 0.07 -1.71 0.00 0.00 -1.11 0.00 0.00 56.01 53.25 3dxj n LEU 186 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 3dxj n LEU 186 CO 0.19 0.81 0.00 0.61 -1.11 0.00 0.00 177.39 177.88 3dxj n GLY 187 N 0.21 1.45 0.00 -3.96 0.00 -1.26 -4.27 105.19 97.36 3dxj n GLY 187 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.62 0.00 -1.71 1.61 10.64 -1.26 -5.05 117.38 119.99 3dxj n GLN 188 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 3dxj n GLN 188 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 3dxj n GLN 188 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3dxj n ARG 189 N -0.22 1.81 0.00 2.61 1.74 -1.26 -4.87 116.66 116.48 3dxj n ARG 189 Ca 0.00 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3dxj n ARG 189 Cb 0.00 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 3dxj n ARG 189 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dxj n THR 190 N -0.55 0.00 1.76 0.55 -2.24 -1.26 0.19 114.28 112.74 3dxj n THR 190 Ca 0.08 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.88 3dxj n THR 190 Cb 0.42 0.00 0.14 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 -0.05 0.00 -4.63 3.42 5.75 -1.26 -4.10 116.55 115.69 3dxj n ASP 191 Ca 0.00 -1.61 -0.29 0.00 -0.01 0.00 0.00 54.79 52.87 3dxj n ASP 191 Cb 0.00 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.17 1.86 0.24 -2.12 1.43 -1.15 -4.23 118.68 113.53 3dxj s LEU 192 Ca 0.07 1.62 0.09 0.00 -1.03 0.00 0.00 54.13 54.88 3dxj s LEU 192 Cb 0.03 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3dxj s LEU 192 CO 0.06 -3.28 0.03 -1.81 0.23 0.00 0.00 176.35 171.57 3dxj s ASP 193 N -2.98 4.77 -0.38 2.29 1.01 0.11 -2.05 116.67 119.45 3dxj s ASP 193 Ca 0.66 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 53.43 3dxj s ASP 193 Cb -0.21 -0.99 0.15 0.00 1.01 0.00 0.00 42.92 42.88 3dxj s ASP 193 CO 0.60 0.02 0.31 -0.75 0.21 0.00 0.00 175.17 175.56 3dxj s LYS 194 N -3.51 0.66 0.41 8.23 2.20 -1.11 -0.82 119.74 125.80 3dxj s LYS 194 Ca 0.31 -1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 54.39 3dxj s LYS 194 Cb -0.07 -1.06 -0.08 0.00 -1.51 0.00 0.00 37.83 35.11 3dxj s LYS 194 CO 0.20 -1.24 1.16 -1.17 -0.36 0.00 0.00 175.35 173.94 3dxj s LEU 195 N 1.02 4.15 -0.19 5.43 2.96 -0.67 -2.23 118.68 129.14 3dxj s LEU 195 Ca 0.21 2.31 -0.04 0.00 -0.22 0.00 0.00 54.13 56.39 3dxj s LEU 195 Cb -0.15 -4.09 0.09 0.00 0.50 0.00 0.00 46.19 42.55 3dxj s LEU 195 CO -0.04 -0.72 0.26 -0.89 -1.32 0.00 0.00 176.35 173.64 3dxj s THR 196 N -1.46 -0.39 0.68 3.68 2.01 0.35 -1.45 115.64 119.07 3dxj s THR 196 Ca 0.59 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.53 3dxj s THR 196 Cb -0.29 -0.64 0.07 0.00 0.01 0.00 0.00 72.50 71.65 3dxj s THR 196 CO 0.37 -0.11 0.97 -0.76 -0.69 0.00 0.00 174.62 174.39 3dxj s LEU 197 N 2.38 2.95 -0.28 4.42 1.43 0.44 0.08 118.68 130.12 3dxj s LEU 197 Ca 0.07 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3dxj s LEU 197 Cb -0.15 -2.81 0.17 0.00 0.03 0.00 0.00 46.19 43.43 3dxj s LEU 197 CO -0.12 -1.60 0.49 -0.13 0.23 0.00 0.00 176.35 175.22 3dxj s ARG 198 N -5.15 0.46 -0.12 1.70 0.52 -0.66 -1.88 118.95 113.82 3dxj s ARG 198 Ca 0.61 0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 56.42 3dxj s ARG 198 Cb -0.09 0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.35 3dxj s ARG 198 CO 0.44 -0.76 -0.04 0.42 0.02 0.00 0.00 175.30 175.38 3dxj s ILE 199 N 2.69 3.92 -0.11 1.52 1.01 0.39 -2.34 121.20 128.27 3dxj s ILE 199 Ca 0.15 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3dxj s ILE 199 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.67 3dxj s ILE 199 CO -0.22 0.54 -0.18 0.26 0.00 0.00 0.00 174.94 175.35 3dxj s TRP 200 N -0.16 2.18 0.23 3.97 0.52 -0.61 -2.07 118.94 123.00 3dxj s TRP 200 Ca 0.03 -1.02 0.04 0.00 0.02 0.00 0.00 56.10 55.16 3dxj s TRP 200 Cb -0.13 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 30.61 3dxj s TRP 200 CO 0.02 -0.49 -0.02 0.95 0.02 0.00 0.00 176.95 177.44 3dxj s THR 201 N 0.85 1.08 0.40 2.01 -4.23 0.66 0.24 115.64 116.65 3dxj s THR 201 Ca -0.09 -2.04 0.30 0.00 -1.18 0.00 0.00 61.69 58.69 3dxj s THR 201 Cb -0.15 -2.30 0.33 0.00 1.34 0.00 0.00 72.50 71.71 3dxj s THR 201 CO -0.00 -0.36 2.10 -2.24 -0.54 0.00 0.00 174.62 173.57 3dxj h ASP 202 N 2.49 0.00 0.00 3.99 3.04 -0.65 -3.41 116.42 121.88 3dxj h ASP 202 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 3dxj h ASP 202 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3dxj h ASP 202 CO 0.65 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 178.54 3dxj n GLY 203 N -0.63 2.04 0.35 7.15 0.00 -1.26 -4.84 105.19 108.00 3dxj n GLY 203 Ca -0.02 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 1.09 0.00 -4.20 1.61 4.64 -1.88 -3.38 113.55 111.43 3dxj h SER 204 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3dxj h SER 204 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 3dxj h SER 204 CO 0.00 0.00 -0.72 -0.69 -0.87 0.00 0.00 176.83 174.55 3dxj s VAL 205 N -4.14 1.03 -0.11 0.95 1.01 -1.26 -4.87 120.40 113.00 3dxj s VAL 205 Ca -0.03 -1.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.00 3dxj s VAL 205 Cb 0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3dxj s VAL 205 CO 0.25 -0.70 0.09 -0.89 0.00 0.00 0.00 175.10 173.86 3dxj s THR 206 N -3.06 5.08 0.19 3.92 2.01 -1.26 -4.60 115.64 117.93 3dxj s THR 206 Ca 0.12 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 3dxj s THR 206 Cb 0.01 -3.19 0.10 0.00 0.01 0.00 0.00 72.50 69.42 3dxj s THR 206 CO -0.00 0.61 1.55 -0.65 -0.69 0.00 0.00 174.62 175.44 3dxj h PRO 207 N 5.11 -0.06 -0.03 4.92 0.11 -1.79 0.75 132.00 141.00 3dxj h PRO 207 Ca -0.53 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3dxj h PRO 207 Cb 1.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3dxj h PRO 207 CO 0.57 -0.04 -0.16 1.25 -0.21 0.00 0.00 178.00 179.41 3dxj h LEU 208 N -0.06 -0.50 -0.98 2.35 5.85 -1.93 0.48 115.31 120.52 3dxj h LEU 208 Ca 0.25 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.16 3dxj h LEU 208 Cb 0.53 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.61 3dxj h LEU 208 CO -0.89 -0.15 -0.44 -0.33 -0.34 0.00 0.00 178.44 176.30 3dxj h GLU 209 N -0.18 -0.01 -0.04 1.25 5.08 -1.28 0.92 114.58 120.33 3dxj h GLU 209 Ca 0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3dxj h GLU 209 Cb 0.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3dxj h GLU 209 CO -0.12 -0.01 -0.47 0.00 -1.00 0.00 0.00 179.01 177.41 3dxj h ALA 210 N 1.15 -0.77 -0.41 3.43 0.00 0.93 -2.51 119.26 121.09 3dxj h ALA 210 Ca 0.30 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3dxj h ALA 210 Cb 0.55 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3dxj h ALA 210 CO -0.96 -1.02 -0.38 1.25 0.00 0.00 0.00 179.25 178.14 3dxj h LEU 211 N -0.60 -1.33 -0.14 0.00 5.85 0.56 -0.72 115.31 118.94 3dxj h LEU 211 Ca 0.04 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3dxj h LEU 211 Cb 0.68 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3dxj h LEU 211 CO -0.36 -0.23 -0.10 0.78 -0.34 0.00 0.00 178.44 178.19 3dxj h ASN 212 N -0.18 -0.34 -0.95 1.25 2.35 -0.07 0.56 115.58 118.19 3dxj h ASN 212 Ca 0.07 0.05 0.10 0.00 -0.55 0.00 0.00 56.30 55.97 3dxj h ASN 212 Cb 0.36 0.15 -0.12 0.00 0.05 0.00 0.00 38.32 38.76 3dxj h ASN 212 CO -0.48 -0.04 -0.52 0.00 -1.65 0.00 0.00 177.43 174.74 3dxj n GLN 213 N -3.32 -0.37 -0.37 0.81 6.02 -0.97 -0.08 117.38 119.09 3dxj n GLN 213 Ca 0.00 1.45 -0.09 0.00 -0.01 0.00 0.00 57.00 58.35 3dxj n GLN 213 Cb 0.05 -2.13 -0.08 0.00 1.02 0.00 0.00 30.24 29.10 3dxj n GLN 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dxj n ALA 214 N -3.33 -0.54 0.11 -1.58 0.00 0.07 -0.58 120.51 114.66 3dxj n ALA 214 Ca 0.04 0.78 -0.09 0.00 0.00 0.00 0.00 53.44 54.17 3dxj n ALA 214 Cb 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 3dxj n ALA 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj h VAL 215 N 0.00 0.00 -0.59 0.00 2.07 0.68 -2.47 116.25 115.94 3dxj h VAL 215 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 3dxj h VAL 215 Cb 0.38 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 3dxj h VAL 215 CO -0.85 0.00 -0.24 1.21 0.02 0.00 0.00 177.57 177.71 3dxj n GLU 216 N -3.89 -0.15 -0.04 1.57 4.07 -0.15 0.26 120.64 122.31 3dxj n GLU 216 Ca -0.05 0.90 -0.05 0.00 -0.06 0.00 0.00 57.16 57.90 3dxj n GLU 216 Cb 0.22 -1.34 -0.03 0.00 -0.06 0.00 0.00 31.44 30.23 3dxj n GLU 216 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3dxj h ILE 217 N 0.00 0.00 -0.53 6.31 2.04 -0.40 -0.59 117.51 124.35 3dxj h ILE 217 Ca 0.20 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 3dxj h ILE 217 Cb 0.34 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 3dxj h ILE 217 CO -0.58 0.00 -0.31 -0.11 0.00 0.00 0.00 178.15 177.15 3dxj n LEU 218 N -3.58 -0.56 -0.30 1.44 7.94 0.14 -1.10 117.00 120.97 3dxj n LEU 218 Ca -0.01 1.38 -0.12 0.00 -1.11 0.00 0.00 56.01 56.15 3dxj n LEU 218 Cb 0.11 -0.34 -0.09 0.00 0.53 0.00 0.00 43.42 43.63 3dxj n LEU 218 CO 0.01 -0.99 0.50 -0.09 -1.11 0.00 0.00 177.39 175.70 3dxj h ARG 219 N 0.00 -0.15 -0.75 1.96 2.43 -0.83 0.96 114.38 117.99 3dxj h ARG 219 Ca 0.08 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.48 3dxj h ARG 219 Cb 0.22 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3dxj h ARG 219 CO -0.50 -0.10 0.73 1.49 -1.51 0.00 0.00 179.97 180.08 3dxj h GLU 220 N -0.16 0.00 -0.05 0.20 4.81 0.49 0.11 114.58 119.98 3dxj h GLU 220 Ca 0.14 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3dxj h GLU 220 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3dxj h GLU 220 CO -0.80 0.00 -0.13 0.45 -0.73 0.00 0.00 179.01 177.80 3dxj h HIS 221 N 0.00 0.23 0.00 0.92 3.86 0.17 -2.77 115.15 117.56 3dxj h HIS 221 Ca 0.36 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3dxj h HIS 221 Cb 1.81 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 30.24 3dxj h HIS 221 CO 0.00 0.74 0.09 1.28 0.86 0.00 0.00 177.93 180.90 3dxj n LEU 222 N -4.63 0.09 -0.01 2.43 4.77 0.36 0.33 117.00 120.34 3dxj n LEU 222 Ca -0.08 0.47 -0.06 0.00 -0.03 0.00 0.00 56.01 56.30 3dxj n LEU 222 Cb 0.38 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 41.12 3dxj n LEU 222 CO 0.37 -0.50 0.63 0.74 -1.33 0.00 0.00 177.39 177.31 3dxj h THR 223 N 0.00 1.29 0.00 -5.08 2.02 -1.34 -2.89 112.91 106.91 3dxj h THR 223 Ca 0.00 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.69 3dxj h THR 223 Cb 0.18 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3dxj h THR 223 CO 0.00 0.47 0.00 -1.22 0.37 0.00 0.00 175.52 175.14 3dxj n TYR 224 N -4.05 0.00 0.68 3.16 0.53 0.15 0.70 117.16 118.33 3dxj n TYR 224 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 56.99 3dxj n TYR 224 Cb 0.49 -0.27 0.19 0.00 -1.03 0.00 0.00 39.34 38.71 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 -1.27 0.38 -0.03 -0.72 3.01 -1.09 -4.19 117.46 113.55 3dxj n PHE 225 Ca 0.03 0.11 -0.15 0.00 1.01 0.00 0.00 57.45 58.45 3dxj n PHE 225 Cb 0.05 -0.53 -0.10 0.00 -0.01 0.00 0.00 39.48 38.89 3dxj n PHE 225 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3dxj h SER 226 N 0.00 -1.71 -3.55 4.37 4.64 0.11 -3.37 113.55 114.04 3dxj h SER 226 Ca 0.00 0.21 -0.70 0.00 -0.47 0.00 0.00 61.79 60.82 3dxj h SER 226 Cb 0.68 0.67 -0.20 0.00 -0.31 0.00 0.00 62.40 63.24 3dxj h SER 226 CO 0.00 -0.46 -0.36 0.21 -0.87 0.00 0.00 176.83 175.35 3dxj s ASN 227 N -4.82 6.13 0.71 4.97 2.47 -1.26 -5.08 114.94 118.05 3dxj s ASN 227 Ca -0.15 -0.74 -0.07 0.00 0.42 0.00 0.00 52.86 52.32 3dxj s ASN 227 Cb 0.07 -2.18 0.06 0.00 -1.45 0.00 0.00 41.25 37.75 3dxj s ASN 227 CO 0.59 -0.46 1.02 -2.84 -3.72 0.00 0.00 177.10 171.70 3dxj s PRO 228 N 1.84 2.25 -0.28 0.43 0.02 -1.26 -5.06 135.00 132.93 3dxj s PRO 228 Ca 0.08 -0.19 -0.17 0.00 0.02 0.00 0.00 61.00 60.74 3dxj s PRO 228 Cb -0.18 -2.15 0.10 0.00 0.02 0.00 0.00 34.50 32.28 3dxj s PRO 228 CO 0.11 -1.23 0.77 -0.65 -0.33 0.00 0.00 177.00 175.68 3dxj s GLN 229 N -5.26 0.63 -0.12 5.54 -0.21 -1.26 -5.15 119.66 113.83 3dxj s GLN 229 Ca 0.60 1.06 -0.24 0.00 0.02 0.00 0.00 55.36 56.80 3dxj s GLN 229 Cb -0.11 0.15 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 3dxj s GLN 229 CO 0.45 -0.13 0.76 0.00 -2.12 0.00 0.00 175.29 174.25 3dxj s ALA 230 N 1.44 3.42 -2.00 6.09 0.00 -1.26 -5.32 121.76 124.14 3dxj s ALA 230 Ca -0.09 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.01 3dxj s ALA 230 Cb -0.05 -3.09 0.41 0.00 0.00 0.00 0.00 23.12 20.40 3dxj s ALA 230 CO -0.17 -0.39 0.87 0.00 0.00 0.00 0.00 175.76 176.08