#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj h LEU 2 N 0.00 -0.51 -0.59 -0.89 5.85 -2.07 -2.59 115.31 114.52 3dxj h LEU 2 Ca 0.00 0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3dxj h LEU 2 Cb 0.00 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3dxj h LEU 2 CO 0.00 -0.23 -0.34 -0.90 -0.34 0.00 0.00 178.44 176.63 3dxj n ASP 3 N -5.43 -0.60 -2.73 1.25 5.75 -1.26 -4.66 116.55 108.87 3dxj n ASP 3 Ca 0.14 1.05 -0.05 0.00 -0.01 0.00 0.00 54.79 55.92 3dxj n ASP 3 Cb 0.49 -0.15 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 3dxj n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3dxj n SER 4 N -4.76 0.50 -2.63 -1.12 7.64 -0.98 -5.02 113.62 107.26 3dxj n SER 4 Ca 0.02 -1.37 -0.31 0.00 1.01 0.00 0.00 58.87 58.22 3dxj n SER 4 Cb 0.16 -0.12 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 3dxj n SER 4 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dxj n LYS 5 N -1.36 3.26 0.00 1.43 4.76 -1.26 -4.73 118.16 120.26 3dxj n LYS 5 Ca 0.04 -4.24 0.00 0.00 -2.87 0.00 0.00 58.31 51.24 3dxj n LYS 5 Cb 0.15 -2.26 0.01 0.00 -1.84 0.00 0.00 35.03 31.10 3dxj n LYS 5 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dxj n LEU 6 N -0.49 0.01 -2.25 -0.35 4.77 -1.26 -1.94 117.00 115.50 3dxj n LEU 6 Ca 0.43 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.64 3dxj n LEU 6 Cb 0.53 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3dxj n LEU 6 CO 0.38 -0.30 1.14 0.29 -1.33 0.00 0.00 177.39 177.57 3dxj n LYS 7 N -1.32 1.12 -1.24 3.23 5.02 -1.26 -4.87 118.16 118.84 3dxj n LYS 7 Ca -0.00 -0.57 -0.54 0.00 -2.02 0.00 0.00 58.31 55.18 3dxj n LYS 7 Cb 0.21 -1.79 -0.10 0.00 -0.02 0.00 0.00 35.03 33.33 3dxj n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 8 N 2.76 -0.31 -1.49 7.82 0.00 -0.82 -4.54 120.51 123.93 3dxj n ALA 8 Ca 0.24 0.26 -0.50 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 8 Cb 0.50 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 3dxj n ALA 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dxj n PRO 9 N 5.37 0.42 -2.80 0.00 -0.02 -1.26 -4.80 135.00 131.92 3dxj n PRO 9 Ca 0.40 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3dxj n PRO 9 Cb -0.04 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 3dxj n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dxj s VAL 10 N -0.57 4.84 -1.09 -1.45 -7.23 0.71 -4.78 120.40 110.83 3dxj s VAL 10 Ca 0.72 1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 62.66 3dxj s VAL 10 Cb -0.97 -4.22 0.31 0.00 0.56 0.00 0.00 36.38 32.06 3dxj s VAL 10 CO 0.56 0.02 1.45 0.33 -0.31 0.00 0.00 175.10 177.15 3dxj n PHE 11 N 5.09 2.56 -1.91 2.82 7.35 -1.26 -2.23 117.46 129.88 3dxj n PHE 11 Ca 0.06 -2.71 -0.29 0.00 -0.76 0.00 0.00 57.45 53.75 3dxj n PHE 11 Cb 0.49 -1.31 0.09 0.00 0.35 0.00 0.00 39.48 39.10 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 -2.62 2.01 0.18 -2.13 -4.23 -0.86 -4.89 115.64 103.10 3dxj s THR 12 Ca 0.31 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.59 3dxj s THR 12 Cb 0.03 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.95 3dxj s THR 12 CO 0.09 0.00 1.02 0.54 -0.54 0.00 0.00 174.62 175.73 3dxj s VAL 13 N -3.58 0.00 -0.29 2.29 0.11 -1.26 -1.12 120.40 116.54 3dxj s VAL 13 Ca 0.62 -0.61 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 3dxj s VAL 13 Cb -0.11 -2.70 0.13 0.00 -1.53 0.00 0.00 36.38 32.17 3dxj s VAL 13 CO 0.49 0.00 0.78 0.00 -3.33 0.00 0.00 175.10 173.04 3dxj s ARG 14 N -2.39 0.52 -0.07 1.54 1.70 -0.37 -4.99 118.95 114.89 3dxj s ARG 14 Ca 0.20 1.13 0.05 0.00 -0.47 0.00 0.00 55.73 56.63 3dxj s ARG 14 Cb -0.02 0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 3dxj s ARG 14 CO 0.05 -0.15 -0.23 -0.08 -1.08 0.00 0.00 175.30 173.81 3dxj s THR 15 N 2.25 1.92 -0.21 4.99 -1.32 -1.26 -0.55 115.64 121.46 3dxj s THR 15 Ca -0.07 -0.97 0.02 0.00 -1.21 0.00 0.00 61.69 59.45 3dxj s THR 15 Cb -0.08 -1.64 0.04 0.00 -1.51 0.00 0.00 72.50 69.31 3dxj s THR 15 CO -0.18 0.53 -0.13 -1.58 -2.21 0.00 0.00 174.62 171.05 3dxj s GLN 16 N 0.06 2.36 0.50 7.08 0.74 -0.97 -4.99 119.66 124.44 3dxj s GLN 16 Ca -0.09 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.33 3dxj s GLN 16 Cb -0.15 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.36 3dxj s GLN 16 CO 0.05 -0.41 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 3dxj n GLY 17 N 4.59 -2.15 0.88 2.59 0.00 -1.26 -3.50 105.19 106.34 3dxj n GLY 17 Ca -0.16 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.50 3dxj n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 18 N -0.69 2.05 -0.00 1.61 1.74 -1.26 -4.35 116.66 115.76 3dxj n ARG 18 Ca 0.00 -1.82 0.06 0.00 -0.77 0.00 0.00 57.85 55.32 3dxj n ARG 18 Cb 0.02 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 3dxj n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dxj n GLU 19 N 1.24 2.05 -4.04 5.56 1.02 -1.26 -3.35 120.64 121.86 3dxj n GLU 19 Ca 0.13 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 3dxj n GLU 19 Cb 0.55 -1.13 -0.11 0.00 -0.02 0.00 0.00 31.44 30.73 3dxj n GLU 19 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3dxj s TYR 20 N -2.38 0.41 -0.27 -0.32 5.04 -1.23 0.77 117.35 119.37 3dxj s TYR 20 Ca 0.01 -0.78 -0.28 0.00 -2.44 0.00 0.00 57.07 53.58 3dxj s TYR 20 Cb 0.08 -0.29 0.17 0.00 0.35 0.00 0.00 41.96 42.27 3dxj s TYR 20 CO 0.47 -0.27 1.28 0.20 -1.34 0.00 0.00 175.55 175.90 3dxj s GLY 21 N -2.15 0.08 -0.19 8.97 0.00 -1.18 -2.29 107.32 110.56 3dxj s GLY 21 Ca -0.05 2.87 -0.01 0.00 0.00 0.00 0.00 44.72 47.53 3dxj s GLY 21 CO -0.05 1.40 -0.13 -0.54 0.00 0.00 0.00 173.10 173.78 3dxj s GLU 22 N -0.61 3.17 -0.17 2.90 2.02 0.29 -1.93 118.70 124.37 3dxj s GLU 22 Ca 0.06 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 3dxj s GLU 22 Cb -0.02 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 3dxj s GLU 22 CO -0.08 -0.17 -0.11 -0.06 0.02 0.00 0.00 175.26 174.86 3dxj s PHE 23 N 1.29 2.86 0.15 1.61 0.40 0.18 -1.24 117.98 123.23 3dxj s PHE 23 Ca 0.04 -0.93 0.09 0.00 -0.60 0.00 0.00 56.93 55.53 3dxj s PHE 23 Cb -0.14 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 3dxj s PHE 23 CO -0.07 -0.45 -0.16 0.08 0.70 0.00 0.00 175.22 175.32 3dxj s VAL 24 N 0.95 2.89 -0.09 -0.44 1.01 -0.28 -0.50 120.40 123.94 3dxj s VAL 24 Ca -0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 3dxj s VAL 24 Cb -0.15 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.91 3dxj s VAL 24 CO -0.01 -0.01 0.17 -0.22 0.00 0.00 0.00 175.10 175.03 3dxj s LEU 25 N -2.48 -0.01 -0.04 3.92 2.96 0.33 -2.03 118.68 121.34 3dxj s LEU 25 Ca 0.21 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 54.19 3dxj s LEU 25 Cb -0.09 0.36 0.11 0.00 0.50 0.00 0.00 46.19 47.06 3dxj s LEU 25 CO 0.12 -0.23 0.98 -1.83 -1.32 0.00 0.00 176.35 174.07 3dxj s GLU 26 N 2.16 0.72 0.36 1.98 -1.05 -0.94 -1.47 118.70 120.45 3dxj s GLU 26 Ca 0.01 -0.28 -0.26 0.00 -0.15 0.00 0.00 54.97 54.29 3dxj s GLU 26 Cb -0.12 0.32 -0.09 0.00 -0.44 0.00 0.00 34.13 33.80 3dxj s GLU 26 CO -0.06 -0.32 1.04 -1.25 0.95 0.00 0.00 175.26 175.62 3dxj s PRO 27 N -2.95 4.34 0.04 -4.83 0.04 -1.26 0.25 135.00 130.64 3dxj s PRO 27 Ca 0.07 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.74 3dxj s PRO 27 Cb -0.01 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 3dxj s PRO 27 CO -0.07 0.01 -0.24 -0.51 0.04 0.00 0.00 177.00 176.24 3dxj s LEU 28 N -2.26 2.16 0.33 -3.56 1.43 0.29 -4.02 118.68 113.06 3dxj s LEU 28 Ca 0.53 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 3dxj s LEU 28 Cb -0.24 -1.14 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 3dxj s LEU 28 CO 0.30 0.21 1.17 -0.70 0.23 0.00 0.00 176.35 177.57 3dxj s GLU 29 N -1.20 4.39 0.01 1.70 2.56 -1.26 0.11 118.70 125.02 3dxj s GLU 29 Ca 0.10 1.91 -0.30 0.00 0.00 0.00 0.00 54.97 56.68 3dxj s GLU 29 Cb -0.09 -3.00 -0.15 0.00 2.00 0.00 0.00 34.13 32.88 3dxj s GLU 29 CO 0.02 -0.05 0.79 -2.13 -0.56 0.00 0.00 175.26 173.33 3dxj n ARG 30 N 0.75 0.00 0.00 4.30 0.63 -1.26 -1.56 116.66 119.52 3dxj n ARG 30 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3dxj n ARG 30 Cb 0.45 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.23 3dxj n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dxj n GLY 31 N 1.19 1.92 0.36 5.14 0.00 -1.26 -4.85 105.19 107.68 3dxj n GLY 31 Ca 0.15 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 1.12 -0.72 1.61 -1.00 -1.65 0.47 116.94 116.77 3dxj h PHE 32 Ca 0.00 0.03 0.12 0.00 2.81 0.00 0.00 57.97 60.93 3dxj h PHE 32 Cb 0.00 -0.36 -0.13 0.00 3.61 0.00 0.00 35.95 39.08 3dxj h PHE 32 CO 0.00 0.46 -0.36 0.78 -1.61 0.00 0.00 178.31 177.58 3dxj h GLY 33 N 1.00 -0.10 0.86 -1.45 0.00 -1.89 1.77 103.07 103.25 3dxj h GLY 33 Ca 0.48 0.48 -0.03 0.00 0.00 0.00 0.00 47.33 48.26 3dxj h GLY 33 CO -0.25 -0.20 -0.25 -2.08 0.00 0.00 0.00 176.54 173.77 3dxj h VAL 34 N -0.12 0.46 -1.17 4.60 2.07 -1.64 0.14 116.25 120.59 3dxj h VAL 34 Ca 0.26 -0.24 0.34 0.00 0.82 0.00 0.00 66.70 67.88 3dxj h VAL 34 Cb 0.56 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3dxj h VAL 34 CO -0.78 0.04 1.21 0.74 0.02 0.00 0.00 177.57 178.81 3dxj h THR 35 N -0.84 0.03 0.00 2.57 2.02 0.41 -2.79 112.91 114.31 3dxj h THR 35 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3dxj h THR 35 Cb 0.59 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3dxj h THR 35 CO 0.12 0.00 -0.49 0.18 0.37 0.00 0.00 175.52 175.69 3dxj n LEU 36 N -3.40 1.07 0.00 2.58 4.77 0.56 -4.62 117.00 117.96 3dxj n LEU 36 Ca 0.26 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3dxj n LEU 36 Cb 1.57 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3dxj n LEU 36 CO 0.27 -0.41 0.34 0.61 -1.33 0.00 0.00 177.39 176.87 3dxj n GLY 37 N 1.84 -2.29 0.00 -0.72 0.00 0.42 -2.17 105.19 102.27 3dxj n GLY 37 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.54 0.00 -0.10 1.61 5.15 -1.13 0.05 115.26 118.30 3dxj n ASN 38 Ca 0.00 0.48 -0.11 0.00 -0.60 0.00 0.00 54.58 54.35 3dxj n ASN 38 Cb 0.00 -0.19 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 3dxj n ASN 38 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3dxj h PRO 39 N 0.00 -0.37 -0.08 1.20 0.11 -1.73 -1.25 132.00 129.88 3dxj h PRO 39 Ca 0.00 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.15 3dxj h PRO 39 Cb 0.00 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3dxj h PRO 39 CO 0.00 -0.25 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.34 3dxj h LEU 40 N -0.38 -0.44 -0.35 2.35 3.38 -0.79 -2.12 115.31 116.96 3dxj h LEU 40 Ca 0.11 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3dxj h LEU 40 Cb 0.60 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3dxj h LEU 40 CO -0.54 -0.10 -0.20 -1.14 0.09 0.00 0.00 178.44 176.54 3dxj n ARG 41 N -3.33 -0.15 -0.14 1.13 0.63 0.11 -0.66 116.66 114.25 3dxj n ARG 41 Ca -0.01 0.70 -0.04 0.00 -0.92 0.00 0.00 57.85 57.59 3dxj n ARG 41 Cb 0.09 -1.04 -0.03 0.00 0.45 0.00 0.00 32.46 31.93 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 -3.93 -0.14 -0.16 -0.14 1.74 -0.53 -0.50 116.66 113.00 3dxj n ARG 42 Ca 0.01 1.07 -0.06 0.00 -0.77 0.00 0.00 57.85 58.10 3dxj n ARG 42 Cb 0.09 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3dxj n ARG 42 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dxj h ILE 43 N 0.00 0.24 -0.30 0.55 2.04 -0.57 0.42 117.51 119.89 3dxj h ILE 43 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 3dxj h ILE 43 Cb 0.13 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3dxj h ILE 43 CO -0.30 0.00 0.91 -0.07 0.00 0.00 0.00 178.15 178.69 3dxj h LEU 44 N -0.18 0.00 -2.27 1.44 3.38 0.37 2.09 115.31 120.15 3dxj h LEU 44 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dxj h LEU 44 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dxj h LEU 44 CO -0.60 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.11 3dxj n LEU 45 N -2.84 1.48 0.00 1.67 4.77 0.13 -4.74 117.00 117.46 3dxj n LEU 45 Ca 0.06 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 3dxj n LEU 45 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 3dxj n LEU 45 CO 0.10 0.37 -0.22 -1.54 -1.33 0.00 0.00 177.39 174.77 3dxj n SER 46 N -0.33 2.15 -2.30 -1.43 3.41 0.65 -4.65 113.62 111.12 3dxj n SER 46 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 3dxj n SER 46 Cb 0.24 0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.33 4.04 -4.20 4.04 7.64 0.23 -4.39 113.62 119.65 3dxj n SER 47 Ca 0.00 -3.36 -0.34 0.00 1.01 0.00 0.00 58.87 56.19 3dxj n SER 47 Cb 0.22 -0.40 -0.15 0.00 -1.01 0.00 0.00 64.21 62.87 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 -4.54 2.60 0.49 0.44 1.09 -1.25 -4.93 121.20 115.09 3dxj s ILE 48 Ca 0.44 -0.77 -0.19 0.00 -1.10 0.00 0.00 60.65 59.04 3dxj s ILE 48 Cb 0.39 -2.14 -0.14 0.00 -1.06 0.00 0.00 42.46 39.51 3dxj s ILE 48 CO -0.02 0.48 0.05 -0.81 -0.10 0.00 0.00 174.94 174.54 3dxj n PRO 49 N 4.69 0.11 -3.63 2.79 -0.04 -1.26 -4.33 135.00 133.33 3dxj n PRO 49 Ca -0.20 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 3dxj n PRO 49 Cb 0.50 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 3dxj n PRO 49 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dxj s GLY 50 N -1.03 0.05 -0.04 0.55 0.00 0.15 -4.28 107.32 102.73 3dxj s GLY 50 Ca 0.60 2.79 -0.11 0.00 0.00 0.00 0.00 44.72 48.00 3dxj s GLY 50 CO 0.63 1.31 0.30 -0.51 0.00 0.00 0.00 173.10 174.83 3dxj s THR 51 N -0.75 5.22 -0.12 0.90 -4.23 -1.26 0.22 115.64 115.63 3dxj s THR 51 Ca 0.06 0.54 -0.19 0.00 -1.18 0.00 0.00 61.69 60.92 3dxj s THR 51 Cb -0.02 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.28 3dxj s THR 51 CO -0.07 0.56 0.48 0.00 -0.54 0.00 0.00 174.62 175.04 3dxj s ALA 52 N -1.10 -1.20 -0.31 3.99 0.00 0.23 -4.41 121.76 118.96 3dxj s ALA 52 Ca 0.22 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 53.00 3dxj s ALA 52 Cb -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3dxj s ALA 52 CO 0.11 -0.26 2.04 0.08 0.00 0.00 0.00 175.76 177.72 3dxj s VAL 53 N -0.39 3.23 -0.04 0.00 1.01 -1.26 -2.16 120.40 120.79 3dxj s VAL 53 Ca -0.05 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 3dxj s VAL 53 Cb -0.03 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 3dxj s VAL 53 CO 0.03 -0.23 0.00 0.74 0.00 0.00 0.00 175.10 175.64 3dxj h THR 54 N 7.04 0.00 -2.80 3.92 2.02 -1.70 -3.38 112.91 118.01 3dxj h THR 54 Ca -0.36 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.31 3dxj h THR 54 Cb 1.21 0.00 -0.22 0.00 -1.74 0.00 0.00 68.15 67.39 3dxj h THR 54 CO 1.02 0.00 -0.22 -0.94 0.37 0.00 0.00 175.52 175.75 3dxj s SER 55 N -4.02 -0.36 0.24 4.18 1.04 -1.20 0.20 113.70 113.78 3dxj s SER 55 Ca -0.00 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.07 3dxj s SER 55 Cb 0.00 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 3dxj s SER 55 CO 0.00 -0.27 -0.10 -0.69 0.98 0.00 0.00 173.24 173.15 3dxj s VAL 56 N -0.39 1.68 -0.03 5.02 1.01 -1.00 -1.18 120.40 125.51 3dxj s VAL 56 Ca -0.05 -2.17 -0.07 0.00 0.00 0.00 0.00 61.98 59.69 3dxj s VAL 56 Cb -0.03 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3dxj s VAL 56 CO 0.02 -0.46 0.16 -0.47 0.00 0.00 0.00 175.10 174.35 3dxj s TYR 57 N -3.00 -0.06 -0.06 5.22 5.04 -0.23 -3.37 117.35 120.89 3dxj s TYR 57 Ca 0.26 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.03 3dxj s TYR 57 Cb 0.01 0.00 0.02 0.00 0.35 0.00 0.00 41.96 42.34 3dxj s TYR 57 CO 0.09 -0.20 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.51 3dxj s ILE 58 N -0.74 0.87 0.02 3.14 -1.16 -1.26 0.21 121.20 122.28 3dxj s ILE 58 Ca -0.08 -0.31 -0.02 0.00 -0.51 0.00 0.00 60.65 59.73 3dxj s ILE 58 Cb -0.05 -0.83 0.01 0.00 0.61 0.00 0.00 42.46 42.20 3dxj s ILE 58 CO 0.01 0.30 0.13 1.21 -2.81 0.00 0.00 174.94 173.78 3dxj n GLU 59 N 3.98 -0.02 -4.02 3.50 2.13 0.17 -2.99 120.64 123.38 3dxj n GLU 59 Ca -0.23 0.13 -0.31 0.00 0.66 0.00 0.00 57.16 57.41 3dxj n GLU 59 Cb 0.51 -0.19 -0.15 0.00 0.27 0.00 0.00 31.44 31.88 3dxj n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3dxj s ASP 60 N -5.03 4.68 0.10 4.31 1.01 -1.26 -5.09 116.67 115.39 3dxj s ASP 60 Ca -0.01 -2.01 -0.14 0.00 0.71 0.00 0.00 52.55 51.10 3dxj s ASP 60 Cb 0.02 -1.58 0.03 0.00 1.01 0.00 0.00 42.92 42.39 3dxj s ASP 60 CO 0.06 -0.35 0.35 0.54 0.21 0.00 0.00 175.17 175.97 3dxj s VAL 61 N 0.96 0.09 0.00 -1.27 0.11 -1.16 -5.10 120.40 114.03 3dxj s VAL 61 Ca 0.08 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 3dxj s VAL 61 Cb -0.19 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 3dxj s VAL 61 CO -0.08 -0.39 0.00 0.18 -3.33 0.00 0.00 175.10 171.48 3dxj n LEU 62 N -0.01 0.00 -4.70 2.54 4.77 -1.26 -4.94 117.00 113.40 3dxj n LEU 62 Ca -0.16 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.52 3dxj n LEU 62 Cb 0.62 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 3dxj n LEU 62 CO 0.19 0.00 -0.25 -1.38 -1.33 0.00 0.00 177.39 174.62 3dxj s HIS 63 N 0.75 2.21 -0.99 -1.77 -3.43 -1.26 -4.90 115.29 105.91 3dxj s HIS 63 Ca 0.00 -0.79 0.04 0.00 -0.80 0.00 0.00 55.06 53.51 3dxj s HIS 63 Cb 0.00 -1.73 0.19 0.00 -1.43 0.00 0.00 32.58 29.61 3dxj s HIS 63 CO 0.00 0.30 1.14 -0.85 -2.00 0.00 0.00 174.74 173.33 3dxj n GLU 64 N -1.15 0.00 -1.08 -0.38 0.28 -1.26 -1.99 120.64 115.07 3dxj n GLU 64 Ca -0.11 0.43 -0.14 0.00 -0.16 0.00 0.00 57.16 57.18 3dxj n GLU 64 Cb 0.67 -1.51 0.17 0.00 1.43 0.00 0.00 31.44 32.20 3dxj n GLU 64 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3dxj n PHE 65 N -1.51 1.95 -2.89 -1.84 3.01 -1.26 -3.20 117.46 111.71 3dxj n PHE 65 Ca 0.01 -1.88 -0.05 0.00 1.01 0.00 0.00 57.45 56.54 3dxj n PHE 65 Cb 0.05 -0.70 0.02 0.00 -0.01 0.00 0.00 39.48 38.84 3dxj n PHE 65 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dxj n SER 66 N -1.08 0.48 -1.87 4.37 2.88 -0.84 -5.06 113.62 112.50 3dxj n SER 66 Ca 0.44 -1.36 -0.06 0.00 -1.33 0.00 0.00 58.87 56.57 3dxj n SER 66 Cb 1.15 -0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 64.48 3dxj n SER 66 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3dxj n THR 67 N -1.38 0.00 -3.70 2.46 5.66 -1.26 -4.10 114.28 111.95 3dxj n THR 67 Ca 0.04 -0.60 -0.11 0.00 -3.05 0.00 0.00 64.05 60.32 3dxj n THR 67 Cb 0.15 0.25 -0.10 0.00 -1.55 0.00 0.00 70.33 69.08 3dxj n THR 67 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3dxj s ILE 68 N -2.09 -0.01 0.30 1.09 -4.36 -1.26 -4.97 121.20 109.90 3dxj s ILE 68 Ca 0.07 0.05 -0.08 0.00 -0.26 0.00 0.00 60.65 60.43 3dxj s ILE 68 Cb 0.00 -0.65 -0.06 0.00 1.25 0.00 0.00 42.46 43.00 3dxj s ILE 68 CO 0.05 0.02 0.61 -2.16 0.24 0.00 0.00 174.94 173.70 3dxj s PRO 69 N 0.94 3.74 -0.58 0.37 0.04 -1.26 -3.65 135.00 134.60 3dxj s PRO 69 Ca -0.06 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.22 3dxj s PRO 69 Cb -0.06 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3dxj s PRO 69 CO -0.08 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.55 3dxj n GLY 70 N -0.76 0.56 3.04 0.56 0.00 -1.26 -4.32 105.19 103.01 3dxj n GLY 70 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.55 -0.76 0.28 1.61 1.01 -1.24 -1.99 120.40 117.76 3dxj s VAL 71 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3dxj s VAL 71 Cb 0.00 -0.45 0.27 0.00 0.00 0.00 0.00 36.38 36.20 3dxj s VAL 71 CO 0.00 -0.20 1.82 0.50 0.00 0.00 0.00 175.10 177.22 3dxj h LYS 72 N 7.31 0.88 -6.13 2.72 3.11 -1.75 -3.38 116.57 119.33 3dxj h LYS 72 Ca 0.02 -0.05 -0.58 0.00 -2.81 0.00 0.00 60.65 57.23 3dxj h LYS 72 Cb 1.14 -0.20 0.19 0.00 -1.00 0.00 0.00 32.23 32.36 3dxj h LYS 72 CO 0.16 0.58 -1.13 0.39 -2.81 0.00 0.00 179.45 176.64 3dxj n GLU 73 N -4.68 0.08 -3.99 1.90 -0.58 -1.26 -4.88 120.64 107.23 3dxj n GLU 73 Ca 0.18 0.04 -0.33 0.00 -0.42 0.00 0.00 57.16 56.63 3dxj n GLU 73 Cb 0.37 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.01 3dxj n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dxj s ASP 74 N -1.08 6.05 0.00 1.62 3.68 -1.26 -4.48 116.67 121.20 3dxj s ASP 74 Ca 0.56 0.25 0.00 0.00 2.13 0.00 0.00 52.55 55.49 3dxj s ASP 74 Cb -0.41 -1.83 0.00 0.00 -1.45 0.00 0.00 42.92 39.23 3dxj s ASP 74 CO 0.67 0.26 0.51 0.52 0.13 0.00 0.00 175.17 177.27 3dxj n VAL 75 N 1.04 0.00 -0.14 1.11 0.31 -1.26 0.41 118.33 119.80 3dxj n VAL 75 Ca -0.12 1.01 0.21 0.00 -0.01 0.00 0.00 64.34 65.44 3dxj n VAL 75 Cb 0.53 -1.60 0.62 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.69 0.03 2.52 2.07 -1.88 0.18 116.25 119.85 3dxj h VAL 76 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3dxj h VAL 76 Cb 0.00 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dxj h VAL 76 CO 0.00 0.03 -0.10 -0.08 0.02 0.00 0.00 177.57 177.44 3dxj h GLU 77 N 0.19 -0.15 -0.93 1.57 4.57 -1.53 -0.54 114.58 117.76 3dxj h GLU 77 Ca 0.37 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.66 3dxj h GLU 77 Cb 1.18 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.73 3dxj h GLU 77 CO -0.07 -0.10 0.57 0.82 -1.18 0.00 0.00 179.01 179.05 3dxj h ILE 78 N -0.15 0.94 -0.93 2.32 2.04 0.13 -0.16 117.51 121.70 3dxj h ILE 78 Ca -0.00 -0.32 0.24 0.00 1.00 0.00 0.00 64.86 65.78 3dxj h ILE 78 Cb 0.15 -0.08 -0.17 0.00 -0.74 0.00 0.00 36.82 35.98 3dxj h ILE 78 CO -0.05 0.17 0.05 0.40 0.00 0.00 0.00 178.15 178.72 3dxj h ILE 79 N 0.94 0.12 -0.11 -0.67 2.04 0.00 0.80 117.51 120.63 3dxj h ILE 79 Ca 0.45 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.29 3dxj h ILE 79 Cb 0.39 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3dxj h ILE 79 CO -0.25 0.01 0.07 -0.07 0.00 0.00 0.00 178.15 177.91 3dxj h LEU 80 N 0.05 0.12 -1.40 1.44 3.38 0.57 -2.40 115.31 117.07 3dxj h LEU 80 Ca 0.55 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.64 3dxj h LEU 80 Cb 1.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3dxj h LEU 80 CO -0.84 0.09 0.71 0.78 0.09 0.00 0.00 178.44 179.28 3dxj h ASN 81 N 0.15 0.00 0.50 -0.43 4.21 0.72 0.41 115.58 121.13 3dxj h ASN 81 Ca 0.04 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.26 3dxj h ASN 81 Cb -0.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 3dxj h ASN 81 CO -0.01 0.00 -1.59 -0.07 -1.29 0.00 0.00 177.43 174.47 3dxj h LEU 82 N 0.00 0.18 -1.91 1.61 3.38 -1.09 -3.23 115.31 114.25 3dxj h LEU 82 Ca 0.19 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3dxj h LEU 82 Cb 1.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3dxj h LEU 82 CO -0.00 1.26 0.13 0.11 0.09 0.00 0.00 178.44 180.02 3dxj h LYS 83 N 0.03 0.11 0.00 1.13 1.57 -0.12 0.46 116.57 119.76 3dxj h LYS 83 Ca -0.25 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3dxj h LYS 83 Cb 1.98 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 34.26 3dxj h LYS 83 CO 0.11 0.08 -0.12 0.93 -0.57 0.00 0.00 179.45 179.88 3dxj h GLU 84 N 0.12 0.00 -6.86 3.15 4.39 -1.52 -3.45 114.58 110.41 3dxj h GLU 84 Ca 0.08 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.23 3dxj h GLU 84 Cb 0.17 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 28.92 3dxj h GLU 84 CO -0.01 0.12 0.73 -0.11 -1.16 0.00 0.00 179.01 178.58 3dxj n LEU 85 N -3.44 4.39 -3.78 1.33 7.94 0.16 -5.04 117.00 118.57 3dxj n LEU 85 Ca -0.01 1.21 -0.13 0.00 -1.11 0.00 0.00 56.01 55.97 3dxj n LEU 85 Cb 0.29 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 42.52 3dxj n LEU 85 CO 0.30 -0.00 -0.22 0.54 -1.11 0.00 0.00 177.39 176.90 3dxj s VAL 86 N -0.88 -0.03 0.00 1.96 0.11 -1.26 -4.88 120.40 115.41 3dxj s VAL 86 Ca 0.56 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 3dxj s VAL 86 Cb -0.51 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 3dxj s VAL 86 CO 0.60 0.04 0.00 1.33 -3.33 0.00 0.00 175.10 173.75 3dxj n VAL 87 N 3.71 0.00 -4.02 2.04 0.24 -1.26 -2.52 118.33 116.52 3dxj n VAL 87 Ca -0.21 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.99 3dxj n VAL 87 Cb 0.55 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.81 3dxj n VAL 87 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dxj s ARG 88 N -1.43 0.43 -0.50 7.34 0.52 0.12 -4.89 118.95 120.53 3dxj s ARG 88 Ca 0.00 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3dxj s ARG 88 Cb 0.00 -0.03 0.13 0.00 0.52 0.00 0.00 34.95 35.58 3dxj s ARG 88 CO 0.00 -0.02 0.26 -0.06 0.02 0.00 0.00 175.30 175.50 3dxj s PHE 89 N -1.72 2.73 0.47 -0.53 0.40 -1.24 -2.37 117.98 115.72 3dxj s PHE 89 Ca -0.11 -2.90 0.36 0.00 -0.60 0.00 0.00 56.93 53.68 3dxj s PHE 89 Cb -0.08 -2.45 1.87 0.00 0.51 0.00 0.00 43.02 42.87 3dxj s PHE 89 CO -0.01 -0.75 2.20 -0.07 0.70 0.00 0.00 175.22 177.29 3dxj h LEU 90 N 6.52 0.00 -8.87 -0.37 3.38 -1.68 -3.40 115.31 110.88 3dxj h LEU 90 Ca -0.04 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.30 3dxj h LEU 90 Cb 0.90 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 3dxj h LEU 90 CO 0.61 0.03 -0.04 0.21 0.09 0.00 0.00 178.44 179.34 3dxj s ASN 91 N -5.67 6.37 0.00 -0.43 3.04 -1.26 -4.95 114.94 112.03 3dxj s ASN 91 Ca -0.03 0.26 0.00 0.00 0.04 0.00 0.00 52.86 53.13 3dxj s ASN 91 Cb 0.12 -2.27 0.00 0.00 -1.54 0.00 0.00 41.25 37.56 3dxj s ASN 91 CO 0.50 -0.37 0.31 -2.65 -3.04 0.00 0.00 177.10 171.85 3dxj n PRO 92 N 5.63 0.56 -0.04 0.43 -0.02 -1.26 -3.14 135.00 137.14 3dxj n PRO 92 Ca -0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.38 3dxj n PRO 92 Cb 0.49 -1.27 -0.05 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.27 3.28 -4.64 2.55 7.64 -1.26 -5.00 113.62 116.46 3dxj n SER 93 Ca 0.00 -0.04 -0.44 0.00 1.01 0.00 0.00 58.87 59.40 3dxj n SER 93 Cb 0.15 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 3dxj n SER 93 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3dxj n LEU 94 N -2.67 3.64 -0.57 -3.43 4.77 -1.19 -4.85 117.00 112.71 3dxj n LEU 94 Ca -0.15 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 3dxj n LEU 94 Cb 0.68 -1.48 0.05 0.00 -2.33 0.00 0.00 43.42 40.34 3dxj n LEU 94 CO 0.10 -0.15 0.43 0.00 -1.33 0.00 0.00 177.39 176.45 3dxj n GLN 95 N 7.72 1.45 0.00 3.23 1.13 -1.26 -4.86 117.38 124.79 3dxj n GLN 95 Ca 0.25 -1.28 0.00 0.00 -1.94 0.00 0.00 57.00 54.03 3dxj n GLN 95 Cb 0.38 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3dxj n GLN 95 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 3dxj n THR 96 N 0.60 0.00 -3.80 5.09 5.66 -1.26 -3.34 114.28 117.23 3dxj n THR 96 Ca 0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.99 3dxj n THR 96 Cb 0.39 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.19 3dxj n THR 96 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3dxj n VAL 97 N -0.19 0.00 -3.35 1.08 0.31 -1.03 -4.97 118.33 110.18 3dxj n VAL 97 Ca 0.00 -1.10 -0.11 0.00 -0.01 0.00 0.00 64.34 63.12 3dxj n VAL 97 Cb 0.00 0.94 -0.08 0.00 -0.91 0.00 0.00 33.84 33.80 3dxj n VAL 97 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3dxj s THR 98 N -2.32 -0.56 -0.13 2.52 2.01 -1.26 0.20 115.64 116.11 3dxj s THR 98 Ca 0.18 -0.24 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 3dxj s THR 98 Cb -0.04 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 3dxj s THR 98 CO 0.13 -0.25 0.75 -0.76 -0.69 0.00 0.00 174.62 173.79 3dxj s LEU 99 N 2.50 4.23 0.56 4.42 1.43 0.18 -4.78 118.68 127.21 3dxj s LEU 99 Ca 0.11 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3dxj s LEU 99 Cb -0.14 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 42.98 3dxj s LEU 99 CO -0.24 -0.26 0.83 -0.22 0.23 0.00 0.00 176.35 176.68 3dxj s LEU 100 N 1.56 3.30 -0.21 1.79 2.96 -1.26 -0.06 118.68 126.76 3dxj s LEU 100 Ca 0.36 0.43 -0.32 0.00 -0.22 0.00 0.00 54.13 54.38 3dxj s LEU 100 Cb -0.17 -3.26 0.15 0.00 0.50 0.00 0.00 46.19 43.41 3dxj s LEU 100 CO 0.15 -1.04 1.21 -0.22 -1.32 0.00 0.00 176.35 175.13 3dxj s LEU 101 N -4.86 -0.15 -0.30 -0.68 2.96 -1.03 -2.16 118.68 112.45 3dxj s LEU 101 Ca 0.54 0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 54.36 3dxj s LEU 101 Cb -0.10 1.39 0.18 0.00 0.50 0.00 0.00 46.19 48.16 3dxj s LEU 101 CO 0.42 -0.20 1.16 -1.59 -1.32 0.00 0.00 176.35 174.83 3dxj s LYS 102 N -1.77 0.13 0.32 1.98 -2.85 -1.26 -1.34 119.74 114.95 3dxj s LYS 102 Ca 0.07 0.30 0.04 0.00 -1.00 0.00 0.00 55.97 55.38 3dxj s LYS 102 Cb -0.01 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 3dxj s LYS 102 CO -0.05 -0.07 0.18 0.00 0.10 0.00 0.00 175.35 175.52 3dxj s ALA 103 N 2.37 2.00 0.00 0.59 0.00 -0.69 -4.93 121.76 121.10 3dxj s ALA 103 Ca -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.19 3dxj s ALA 103 Cb -0.04 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.27 3dxj s ALA 103 CO -0.15 -0.53 0.00 -0.85 0.00 0.00 0.00 175.76 174.23 3dxj n GLU 104 N -0.61 0.00 -0.04 0.00 0.00 -1.26 0.31 120.64 119.04 3dxj n GLU 104 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.18 3dxj n GLU 104 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 32.08 3dxj n GLU 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dxj n GLY 105 N 0.00 -0.53 3.62 -1.84 0.00 0.10 -4.44 105.19 102.10 3dxj n GLY 105 Ca 0.00 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.09 3.97 0.01 1.61 0.04 -0.99 -0.89 135.00 138.66 3dxj s PRO 106 Ca 0.00 0.82 -0.08 0.00 0.04 0.00 0.00 61.00 61.78 3dxj s PRO 106 Cb 0.00 -3.76 0.03 0.00 0.04 0.00 0.00 34.50 30.80 3dxj s PRO 106 CO 0.00 -0.89 0.35 0.36 0.04 0.00 0.00 177.00 176.86 3dxj n LYS 107 N 6.75 0.09 -4.52 4.56 2.85 -1.07 -4.84 118.16 121.98 3dxj n LYS 107 Ca 0.09 -0.27 -0.24 0.00 -1.05 0.00 0.00 58.31 56.83 3dxj n LYS 107 Cb 0.48 0.42 -0.11 0.00 -0.65 0.00 0.00 35.03 35.17 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 -2.01 1.78 -0.06 -1.58 2.12 -1.26 0.13 118.70 117.83 3dxj s GLU 108 Ca 0.08 -2.00 -0.02 0.00 0.36 0.00 0.00 54.97 53.39 3dxj s GLU 108 Cb -0.00 -1.18 0.03 0.00 0.26 0.00 0.00 34.13 33.24 3dxj s GLU 108 CO 0.00 -0.13 0.12 0.08 -0.54 0.00 0.00 175.26 174.79 3dxj s VAL 109 N -3.05 -0.05 0.57 3.70 1.01 0.68 -4.82 120.40 118.44 3dxj s VAL 109 Ca 0.36 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.57 3dxj s VAL 109 Cb 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 36.38 36.32 3dxj s VAL 109 CO 0.16 0.07 0.49 -0.54 0.00 0.00 0.00 175.10 175.29 3dxj s LYS 110 N 1.05 2.24 0.04 2.72 -0.14 -1.26 -1.90 119.74 122.49 3dxj s LYS 110 Ca -0.08 -1.99 -0.23 0.00 -1.36 0.00 0.00 55.97 52.31 3dxj s LYS 110 Cb -0.11 -2.19 -0.13 0.00 -1.68 0.00 0.00 37.83 33.73 3dxj s LYS 110 CO -0.05 -0.72 1.33 0.00 -0.76 0.00 0.00 175.35 175.15 3dxj h ALA 111 N 0.59 -1.21 -0.28 5.17 0.00 -0.78 -3.23 119.26 119.53 3dxj h ALA 111 Ca -0.35 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.43 3dxj h ALA 111 Cb 1.30 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3dxj h ALA 111 CO 0.53 -1.15 -0.10 2.89 0.00 0.00 0.00 179.25 181.42 3dxj n ARG 112 N -4.22 -0.06 -0.07 0.00 1.85 -1.08 0.06 116.66 113.14 3dxj n ARG 112 Ca -0.10 0.43 0.17 0.00 -1.00 0.00 0.00 57.85 57.35 3dxj n ARG 112 Cb 0.32 -0.64 0.26 0.00 -1.05 0.00 0.00 32.46 31.35 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 -4.42 0.00 -4.48 2.89 9.92 -1.22 -4.56 116.55 114.68 3dxj n ASP 113 Ca 0.03 0.54 -0.30 0.00 -0.53 0.00 0.00 54.79 54.53 3dxj n ASP 113 Cb 0.12 -0.16 0.21 0.00 -0.64 0.00 0.00 41.12 40.65 3dxj n ASP 113 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3dxj n PHE 114 N -2.62 -0.80 -2.17 1.24 3.01 0.11 -4.88 117.46 111.35 3dxj n PHE 114 Ca 0.14 0.07 -0.41 0.00 1.01 0.00 0.00 57.45 58.27 3dxj n PHE 114 Cb 1.09 -1.76 -0.03 0.00 -0.01 0.00 0.00 39.48 38.77 3dxj n PHE 114 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3dxj s LEU 115 N -5.37 3.37 0.76 4.37 2.96 -0.92 -4.97 118.68 118.87 3dxj s LEU 115 Ca 0.65 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.90 3dxj s LEU 115 Cb -0.22 -2.91 0.05 0.00 0.50 0.00 0.00 46.19 43.61 3dxj s LEU 115 CO 0.64 -1.99 1.17 -2.65 -1.32 0.00 0.00 176.35 172.20 3dxj n PRO 116 N 8.86 0.46 -4.06 0.98 -0.02 -1.26 -4.76 135.00 135.19 3dxj n PRO 116 Ca 0.18 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 3dxj n PRO 116 Cb 0.50 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 3dxj n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxj s VAL 117 N -1.89 0.00 0.00 -1.45 1.01 -1.26 -5.10 120.40 111.70 3dxj s VAL 117 Ca 0.75 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3dxj s VAL 117 Cb -0.32 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3dxj s VAL 117 CO 0.48 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.58 3dxj n ALA 118 N -0.35 0.00 0.39 5.51 0.00 -1.26 -3.97 120.51 120.83 3dxj n ALA 118 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 118 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.00 1.16 -3.95 0.00 9.92 -1.26 -4.61 116.55 117.81 3dxj n ASP 119 Ca 0.00 -0.78 -0.28 0.00 -0.53 0.00 0.00 54.79 53.21 3dxj n ASP 119 Cb 0.00 -0.19 -0.17 0.00 -0.64 0.00 0.00 41.12 40.12 3dxj n ASP 119 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dxj s VAL 120 N 0.59 1.19 -0.08 2.53 1.01 -1.24 -1.60 120.40 122.80 3dxj s VAL 120 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.60 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 -0.12 -0.70 0.00 0.00 0.00 175.10 174.67 3dxj s GLU 121 N 1.56 1.76 0.20 2.72 2.12 -1.00 -4.48 118.70 121.59 3dxj s GLU 121 Ca 0.03 -0.41 -0.22 0.00 0.36 0.00 0.00 54.97 54.74 3dxj s GLU 121 Cb -0.13 -1.52 -0.08 0.00 0.26 0.00 0.00 34.13 32.66 3dxj s GLU 121 CO -0.08 -0.04 0.74 0.42 -0.54 0.00 0.00 175.26 175.76 3dxj s ILE 122 N 0.91 4.50 -0.20 -3.70 1.01 -1.26 0.11 121.20 122.57 3dxj s ILE 122 Ca -0.10 1.43 -0.15 0.00 0.00 0.00 0.00 60.65 61.84 3dxj s ILE 122 Cb -0.15 -3.95 -0.20 0.00 0.01 0.00 0.00 42.46 38.17 3dxj s ILE 122 CO 0.01 0.31 0.14 0.23 0.00 0.00 0.00 174.94 175.63 3dxj n MET 123 N 1.01 0.63 -3.17 2.79 2.81 -1.05 -4.58 117.12 115.55 3dxj n MET 123 Ca -0.03 0.42 -0.43 0.00 -1.81 0.00 0.00 57.70 55.84 3dxj n MET 123 Cb 0.50 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3dxj n MET 123 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dxj n ASN 124 N -4.07 5.92 0.27 7.83 0.23 -1.26 -4.83 115.26 119.35 3dxj n ASN 124 Ca -0.36 -3.26 0.12 0.00 -0.53 0.00 0.00 54.58 50.55 3dxj n ASN 124 Cb 0.83 -1.29 0.77 0.00 -2.08 0.00 0.00 39.78 38.01 3dxj n ASN 124 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 3dxj h PRO 125 N 5.90 0.00 -0.25 -0.53 0.13 -1.94 -2.00 132.00 133.31 3dxj h PRO 125 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3dxj h PRO 125 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3dxj h PRO 125 CO 1.18 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.77 3dxj n ASP 126 N -3.91 1.26 -4.68 1.44 8.00 -1.26 -2.44 116.55 114.96 3dxj n ASP 126 Ca -0.03 -2.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.04 3dxj n ASP 126 Cb 0.16 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.00 4.27 0.37 0.64 2.96 -0.75 -4.81 118.68 120.36 3dxj s LEU 127 Ca 0.15 1.87 -0.26 0.00 -0.22 0.00 0.00 54.13 55.67 3dxj s LEU 127 Cb 0.08 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 3dxj s LEU 127 CO 0.10 -0.65 1.12 -2.28 -1.32 0.00 0.00 176.35 173.32 3dxj s HIS 128 N 2.51 3.26 0.03 5.38 5.65 -1.26 -1.11 115.29 129.74 3dxj s HIS 128 Ca 0.58 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.50 3dxj s HIS 128 Cb -0.26 -3.30 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 3dxj s HIS 128 CO 0.22 -0.94 0.00 -0.89 -0.65 0.00 0.00 174.74 172.48 3dxj n ILE 129 N 0.34 0.36 -3.78 0.89 5.41 -0.80 -4.92 119.36 116.86 3dxj n ILE 129 Ca 0.03 0.12 -0.01 0.00 1.00 0.00 0.00 62.75 63.89 3dxj n ILE 129 Cb 0.47 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 -2.00 -1.90 -0.08 -1.39 0.00 -1.23 -4.81 121.76 110.34 3dxj s ALA 130 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3dxj s ALA 130 Cb 0.00 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3dxj s ALA 130 CO 0.00 -1.07 -0.11 0.95 0.00 0.00 0.00 175.76 175.54 3dxj s THR 131 N -2.56 1.09 0.57 0.00 -4.23 -1.26 -0.23 115.64 109.02 3dxj s THR 131 Ca 0.18 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3dxj s THR 131 Cb 0.00 -1.03 0.11 0.00 1.34 0.00 0.00 72.50 72.92 3dxj s THR 131 CO 0.01 0.36 0.79 0.18 -0.54 0.00 0.00 174.62 175.41 3dxj n LEU 132 N 4.16 0.00 0.00 4.79 4.77 0.12 -4.29 117.00 126.55 3dxj n LEU 132 Ca -0.20 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 3dxj n LEU 132 Cb 0.51 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3dxj n LEU 132 CO 0.23 -0.85 0.00 -1.84 -1.33 0.00 0.00 177.39 173.60 3dxj n GLU 133 N -2.41 0.00 -1.68 3.23 0.28 -0.07 -2.59 120.64 117.41 3dxj n GLU 133 Ca 0.14 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.66 3dxj n GLU 133 Cb 0.49 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.31 3dxj n GLU 133 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dxj n GLU 134 N 0.00 2.21 0.00 3.44 -0.58 -1.26 -1.34 120.64 123.11 3dxj n GLU 134 Ca 0.00 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 3dxj n GLU 134 Cb 0.00 -2.65 0.00 0.00 -0.57 0.00 0.00 31.44 28.22 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 4.20 1.55 3.60 0.62 0.00 -1.26 -4.34 105.19 109.57 3dxj n GLY 135 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.75 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 1.11 2.97 -0.02 0.00 -0.45 -4.67 105.19 104.13 3dxj n GLY 136 Ca 0.00 0.87 -0.19 0.00 0.00 0.00 0.00 46.02 46.70 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 5.08 0.73 0.08 1.61 3.52 -1.26 -0.72 118.95 127.98 3dxj s ARG 137 Ca 0.99 -0.24 0.05 0.00 -0.13 0.00 0.00 55.73 56.40 3dxj s ARG 137 Cb -0.68 -0.71 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 3dxj s ARG 137 CO 0.48 0.10 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.85 3dxj s LEU 138 N 0.15 3.27 -0.30 -0.88 2.96 0.93 -4.93 118.68 119.87 3dxj s LEU 138 Ca -0.02 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3dxj s LEU 138 Cb -0.07 -2.00 0.19 0.00 0.50 0.00 0.00 46.19 44.82 3dxj s LEU 138 CO 0.00 0.20 0.77 0.21 -1.32 0.00 0.00 176.35 176.21 3dxj s ASN 139 N -2.08 -1.15 0.27 3.68 2.47 -1.26 -1.70 114.94 115.16 3dxj s ASN 139 Ca 0.22 0.05 0.03 0.00 0.42 0.00 0.00 52.86 53.58 3dxj s ASN 139 Cb -0.11 1.69 -0.04 0.00 -1.45 0.00 0.00 41.25 41.34 3dxj s ASN 139 CO 0.14 -0.20 0.18 0.00 -3.72 0.00 0.00 177.10 173.50 3dxj s MET 140 N 2.76 1.49 -0.15 0.43 0.23 -0.45 -0.66 119.30 122.95 3dxj s MET 140 Ca 0.17 -1.83 -0.01 0.00 -1.03 0.00 0.00 55.69 52.98 3dxj s MET 140 Cb -0.06 0.16 0.04 0.00 -1.53 0.00 0.00 34.83 33.44 3dxj s MET 140 CO -0.23 -0.48 -0.02 -1.21 -2.03 0.00 0.00 175.02 171.05 3dxj s GLU 141 N -3.84 1.09 -0.41 3.16 2.02 0.57 -2.47 118.70 118.80 3dxj s GLU 141 Ca 0.38 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.87 3dxj s GLU 141 Cb 0.05 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.52 3dxj s GLU 141 CO 0.18 -0.44 0.38 0.08 0.02 0.00 0.00 175.26 175.48 3dxj s VAL 142 N 1.76 5.16 -0.13 2.63 1.01 0.91 -1.07 120.40 130.67 3dxj s VAL 142 Ca 0.02 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3dxj s VAL 142 Cb -0.15 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3dxj s VAL 142 CO -0.07 -0.37 0.99 -0.60 0.00 0.00 0.00 175.10 175.04 3dxj s ARG 143 N 1.95 4.39 0.40 2.72 3.00 -0.33 0.47 118.95 131.55 3dxj s ARG 143 Ca 0.09 1.34 0.08 0.00 -1.00 0.00 0.00 55.73 56.24 3dxj s ARG 143 Cb -0.18 -3.56 -0.05 0.00 0.00 0.00 0.00 34.95 31.17 3dxj s ARG 143 CO 0.12 -0.35 0.18 0.08 0.00 0.00 0.00 175.30 175.34 3dxj s VAL 144 N 2.16 2.43 -0.07 7.11 1.01 0.13 -2.05 120.40 131.12 3dxj s VAL 144 Ca 0.47 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 3dxj s VAL 144 Cb -0.18 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.33 3dxj s VAL 144 CO 0.16 -0.03 0.98 -0.62 0.00 0.00 0.00 175.10 175.58 3dxj s ASP 145 N -3.91 -0.32 0.03 3.32 -1.08 -0.92 -2.48 116.67 111.32 3dxj s ASP 145 Ca 0.41 0.07 -0.19 0.00 -0.52 0.00 0.00 52.55 52.32 3dxj s ASP 145 Cb 0.02 0.32 -0.06 0.00 -1.46 0.00 0.00 42.92 41.74 3dxj s ASP 145 CO 0.23 -0.49 0.54 -0.60 0.52 0.00 0.00 175.17 175.37 3dxj s ARG 146 N -2.64 4.19 0.00 4.34 3.52 -1.21 -0.60 118.95 126.55 3dxj s ARG 146 Ca 0.05 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 3dxj s ARG 146 Cb -0.01 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3dxj s ARG 146 CO -0.06 0.55 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 3dxj n GLY 147 N 2.00 0.71 3.19 8.12 0.00 0.13 -4.97 105.19 114.38 3dxj n GLY 147 Ca -0.10 -0.84 -0.09 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 -2.20 0.14 0.00 1.61 -7.23 -1.26 -0.67 120.40 110.79 3dxj s VAL 148 Ca 0.00 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3dxj s VAL 148 Cb 0.00 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.34 3dxj s VAL 148 CO 0.00 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 3dxj n GLY 149 N -0.05 -0.89 3.88 2.32 0.00 -1.26 -4.60 105.19 104.59 3dxj n GLY 149 Ca -0.12 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 3.50 -0.08 1.61 5.04 -1.26 -2.56 117.35 123.59 3dxj s TYR 150 Ca 0.00 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 3dxj s TYR 150 Cb 0.00 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 40.22 3dxj s TYR 150 CO 0.00 0.42 0.04 0.08 -1.34 0.00 0.00 175.55 174.75 3dxj s VAL 151 N -1.61 0.14 0.04 3.14 1.01 0.31 -4.95 120.40 118.48 3dxj s VAL 151 Ca 0.40 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 3dxj s VAL 151 Cb -0.13 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.75 3dxj s VAL 151 CO 0.22 0.11 1.40 -2.16 0.00 0.00 0.00 175.10 174.67 3dxj s PRO 152 N 2.06 4.29 0.30 2.72 0.04 -1.26 0.22 135.00 143.38 3dxj s PRO 152 Ca 0.04 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.15 3dxj s PRO 152 Cb -0.13 -3.48 0.80 0.00 0.04 0.00 0.00 34.50 31.73 3dxj s PRO 152 CO -0.05 -0.53 1.70 0.00 0.04 0.00 0.00 177.00 178.16 3dxj h ALA 153 N 7.54 1.58 -0.02 8.56 0.00 -1.88 0.45 119.26 135.49 3dxj h ALA 153 Ca -0.39 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3dxj h ALA 153 Cb 1.19 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dxj h ALA 153 CO 0.89 -0.34 -0.04 0.93 0.00 0.00 0.00 179.25 180.69 3dxj h GLU 154 N 0.44 0.03 0.13 0.00 3.07 -1.90 -3.30 114.58 113.06 3dxj h GLU 154 Ca 0.60 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.45 3dxj h GLU 154 Cb 1.16 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3dxj h GLU 154 CO -0.52 0.07 -0.06 -0.22 -1.40 0.00 0.00 179.01 176.88 3dxj h LYS 155 N 0.03 -0.17 -4.31 2.33 3.64 -0.47 -3.35 116.57 114.27 3dxj h LYS 155 Ca 0.01 0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.73 3dxj h LYS 155 Cb 0.09 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3dxj h LYS 155 CO 0.01 -0.11 2.61 -2.39 -2.27 0.00 0.00 179.45 177.29 3dxj n HIS 156 N -2.86 2.55 0.26 1.91 1.44 -1.18 -4.74 115.22 112.61 3dxj n HIS 156 Ca -0.02 -2.27 0.00 0.00 -2.01 0.00 0.00 57.72 53.42 3dxj n HIS 156 Cb 0.07 -2.06 0.00 0.00 0.12 0.00 0.00 29.99 28.12 3dxj n HIS 156 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dxj n GLY 157 N 4.38 0.64 3.59 -1.39 0.00 -1.26 -4.73 105.19 106.43 3dxj n GLY 157 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 0.76 4.81 0.14 -0.61 1.01 -1.26 -5.02 121.20 121.02 3dxj s ILE 158 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 60.65 61.39 3dxj s ILE 158 Cb 0.00 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.35 3dxj s ILE 158 CO 0.00 -0.33 0.33 -0.54 0.00 0.00 0.00 174.94 174.40 3dxj s LYS 159 N 2.91 1.08 0.01 2.79 1.02 -1.26 -4.97 119.74 121.30 3dxj s LYS 159 Ca 0.29 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.30 3dxj s LYS 159 Cb -0.14 0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 3dxj s LYS 159 CO 0.15 -0.40 -0.11 -0.25 -0.92 0.00 0.00 175.35 173.82 3dxj n ASP 160 N -0.19 1.27 -4.34 2.83 8.00 -1.26 -5.08 116.55 117.77 3dxj n ASP 160 Ca -0.13 0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 3dxj n ASP 160 Cb 0.63 -0.45 0.15 0.00 -0.02 0.00 0.00 41.12 41.43 3dxj n ASP 160 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dxj n ARG 161 N -3.71 -1.03 0.18 -1.24 5.12 -1.26 -4.92 116.66 109.81 3dxj n ARG 161 Ca -0.04 -0.27 0.12 0.00 -1.93 0.00 0.00 57.85 55.72 3dxj n ARG 161 Cb 0.16 -1.78 0.11 0.00 -1.16 0.00 0.00 32.46 29.79 3dxj n ARG 161 CO 0.00 0.00 0.00 -0.84 -1.93 0.00 0.00 177.63 174.86 3dxj h ILE 162 N -1.86 0.00 -0.00 0.55 3.07 -2.03 -3.18 117.51 114.07 3dxj h ILE 162 Ca -0.49 -1.00 -0.00 0.00 1.55 0.00 0.00 64.86 64.91 3dxj h ILE 162 Cb 1.32 1.83 -0.00 0.00 -0.27 0.00 0.00 36.82 39.70 3dxj h ILE 162 CO 0.37 0.00 -0.44 0.59 -1.05 0.00 0.00 178.15 177.62 3dxj n ASN 163 N -2.96 1.79 -4.57 2.16 3.02 -1.26 -5.00 115.26 108.45 3dxj n ASN 163 Ca 0.03 -3.81 -0.43 0.00 -0.03 0.00 0.00 54.58 50.34 3dxj n ASN 163 Cb 0.54 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3dxj n ASN 163 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxj s ALA 164 N -3.20 3.08 -0.17 5.41 0.00 -1.20 -4.77 121.76 120.91 3dxj s ALA 164 Ca 0.37 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 3dxj s ALA 164 Cb 0.36 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3dxj s ALA 164 CO -0.06 -2.48 0.08 0.42 0.00 0.00 0.00 175.76 173.73 3dxj s ILE 165 N 4.50 5.00 0.72 0.00 1.01 -1.22 -4.89 121.20 126.32 3dxj s ILE 165 Ca 0.40 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.98 3dxj s ILE 165 Cb -0.09 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3dxj s ILE 165 CO 0.25 0.48 1.07 -2.16 0.00 0.00 0.00 174.94 174.58 3dxj s PRO 166 N 0.14 2.74 0.05 2.79 0.04 -1.26 -2.37 135.00 137.12 3dxj s PRO 166 Ca 0.06 0.98 0.04 0.00 0.04 0.00 0.00 61.00 62.12 3dxj s PRO 166 Cb -0.12 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3dxj s PRO 166 CO 0.00 -1.25 -0.12 0.08 0.04 0.00 0.00 177.00 175.75 3dxj s VAL 167 N -3.02 0.90 -0.50 -0.36 1.01 0.53 -4.85 120.40 114.11 3dxj s VAL 167 Ca 0.59 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3dxj s VAL 167 Cb -0.15 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3dxj s VAL 167 CO 0.55 -0.16 1.67 -1.81 0.00 0.00 0.00 175.10 175.36 3dxj s ASP 168 N -1.35 5.79 -0.27 3.32 1.01 -1.26 -3.41 116.67 120.51 3dxj s ASP 168 Ca -0.02 0.64 -0.29 0.00 0.71 0.00 0.00 52.55 53.58 3dxj s ASP 168 Cb -0.09 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3dxj s ASP 168 CO 0.01 -1.91 1.64 0.00 0.21 0.00 0.00 175.17 175.13 3dxj s ALA 169 N 7.25 3.14 -0.60 5.23 0.00 0.59 -4.78 121.76 132.58 3dxj s ALA 169 Ca 0.66 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 3dxj s ALA 169 Cb -0.15 -3.90 0.30 0.00 0.00 0.00 0.00 23.12 19.37 3dxj s ALA 169 CO 0.27 -2.18 2.17 1.33 0.00 0.00 0.00 175.76 177.35 3dxj n VAL 170 N 6.76 3.38 0.00 0.00 0.24 -1.26 0.11 118.33 127.56 3dxj n VAL 170 Ca 0.20 -2.99 0.00 0.00 -2.04 0.00 0.00 64.34 59.51 3dxj n VAL 170 Cb 0.46 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 3dxj n VAL 170 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3dxj n PHE 171 N -0.21 0.00 -0.75 6.34 0.99 -1.06 -4.42 117.46 118.35 3dxj n PHE 171 Ca 0.51 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.61 3dxj n PHE 171 Cb 0.52 -0.23 -0.07 0.00 -1.00 0.00 0.00 39.48 38.69 3dxj n PHE 171 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3dxj n SER 172 N -1.95 0.42 0.00 4.37 2.88 -1.09 -4.24 113.62 114.02 3dxj n SER 172 Ca 0.00 0.38 0.09 0.00 -1.33 0.00 0.00 58.87 58.00 3dxj n SER 172 Cb 0.00 -0.53 0.50 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 4.48 0.48 -3.09 -1.46 -0.04 -1.26 -4.73 135.00 129.38 3dxj n PRO 173 Ca 0.33 0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.43 3dxj n PRO 173 Cb -0.02 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 3dxj n PRO 173 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dxj s VAL 174 N -2.13 4.51 -0.04 0.52 1.01 -1.26 0.39 120.40 123.40 3dxj s VAL 174 Ca 0.24 1.49 0.19 0.00 0.00 0.00 0.00 61.98 63.90 3dxj s VAL 174 Cb 0.12 -4.02 -0.30 0.00 0.00 0.00 0.00 36.38 32.18 3dxj s VAL 174 CO 0.21 0.48 0.39 0.54 0.00 0.00 0.00 175.10 176.73 3dxj n ARG 175 N 1.49 0.63 0.00 2.72 1.74 1.17 -4.86 116.66 119.56 3dxj n ARG 175 Ca -0.07 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 3dxj n ARG 175 Cb 0.50 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.23 0.00 -3.93 5.56 0.63 -0.60 -4.95 116.66 111.14 3dxj n ARG 176 Ca -0.06 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.75 3dxj n ARG 176 Cb 0.57 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.34 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 -2.00 0.08 -0.23 5.15 1.01 -1.26 -0.39 120.40 122.76 3dxj s VAL 177 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 3dxj s VAL 177 Cb 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 36.38 36.38 3dxj s VAL 177 CO 0.00 -0.12 0.42 0.00 0.00 0.00 0.00 175.10 175.39 3dxj s ALA 178 N -0.41 -1.23 0.13 5.51 0.00 0.18 -5.01 121.76 120.92 3dxj s ALA 178 Ca -0.04 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.25 3dxj s ALA 178 Cb -0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3dxj s ALA 178 CO -0.00 -1.05 -0.15 -0.59 0.00 0.00 0.00 175.76 173.97 3dxj s PHE 179 N 2.61 1.52 -0.08 0.00 -0.12 -1.26 -0.17 117.98 120.47 3dxj s PHE 179 Ca 0.07 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.39 3dxj s PHE 179 Cb -0.14 -0.78 0.04 0.00 -0.63 0.00 0.00 43.02 41.51 3dxj s PHE 179 CO -0.15 0.19 0.17 1.14 -0.05 0.00 0.00 175.22 176.52 3dxj s GLN 180 N -2.67 0.09 0.01 1.99 -2.07 -0.73 -5.00 119.66 111.29 3dxj s GLN 180 Ca 0.10 0.49 -0.13 0.00 -1.82 0.00 0.00 55.36 54.00 3dxj s GLN 180 Cb -0.05 -0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 31.62 3dxj s GLN 180 CO 0.04 -0.23 0.39 0.08 -1.32 0.00 0.00 175.29 174.25 3dxj s VAL 181 N 1.68 5.08 -0.03 3.63 1.01 -1.26 -2.17 120.40 128.34 3dxj s VAL 181 Ca -0.04 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 3dxj s VAL 181 Cb -0.12 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3dxj s VAL 181 CO -0.06 0.51 0.14 -1.83 0.00 0.00 0.00 175.10 173.86 3dxj s GLU 182 N -1.28 0.32 0.98 2.72 1.03 -0.75 -4.93 118.70 116.79 3dxj s GLU 182 Ca 0.25 -0.09 -0.11 0.00 0.03 0.00 0.00 54.97 55.06 3dxj s GLU 182 Cb -0.16 0.14 0.18 0.00 -0.80 0.00 0.00 34.13 33.49 3dxj s GLU 182 CO 0.14 -0.06 1.10 -0.51 -1.33 0.00 0.00 175.26 174.59 3dxj s ASP 183 N -0.62 2.50 -0.24 0.83 1.11 -1.26 0.03 116.67 119.02 3dxj s ASP 183 Ca -0.07 1.83 -0.21 0.00 0.18 0.00 0.00 52.55 54.28 3dxj s ASP 183 Cb -0.04 -2.41 0.06 0.00 1.07 0.00 0.00 42.92 41.60 3dxj s ASP 183 CO 0.01 -3.31 0.63 0.28 1.18 0.00 0.00 175.17 173.96 3dxj s THR 184 N -2.66 -0.00 0.31 -1.27 -1.32 0.86 -4.71 115.64 106.85 3dxj s THR 184 Ca 0.66 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.16 3dxj s THR 184 Cb -0.22 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 3dxj s THR 184 CO 0.60 0.00 0.42 -2.11 -2.21 0.00 0.00 174.62 171.32 3dxj n ARG 185 N 2.83 0.45 -0.55 7.08 1.85 -1.25 -2.90 116.66 124.17 3dxj n ARG 185 Ca -0.14 -1.28 -0.01 0.00 -1.00 0.00 0.00 57.85 55.41 3dxj n ARG 185 Cb 0.56 -0.24 -0.01 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 -0.14 0.00 2.89 7.94 -0.21 -4.80 117.00 122.68 3dxj n LEU 186 Ca 0.07 -1.10 0.00 0.00 -1.11 0.00 0.00 56.01 53.87 3dxj n LEU 186 Cb 0.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3dxj n LEU 186 CO 0.18 1.05 0.00 0.61 -1.11 0.00 0.00 177.39 178.12 3dxj n GLY 187 N 0.00 3.02 1.54 -3.96 0.00 -1.26 -4.44 105.19 100.10 3dxj n GLY 187 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 0.00 -2.81 1.61 0.00 -1.26 -5.03 117.38 107.89 3dxj n GLN 188 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 56.57 3dxj n GLN 188 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 3dxj n GLN 188 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3dxj s ARG 189 N -1.01 3.50 0.00 2.61 0.52 -1.26 -4.81 118.95 118.51 3dxj s ARG 189 Ca 0.00 0.10 0.13 0.00 -0.52 0.00 0.00 55.73 55.44 3dxj s ARG 189 Cb 0.00 -3.95 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 3dxj s ARG 189 CO 0.00 -1.29 0.70 2.41 0.02 0.00 0.00 175.30 177.15 3dxj n THR 190 N 6.41 0.00 1.76 0.02 -1.04 -1.25 -1.04 114.28 119.13 3dxj n THR 190 Ca 0.06 -0.35 0.15 0.00 -2.04 0.00 0.00 64.05 61.86 3dxj n THR 190 Cb 0.48 1.13 0.85 0.00 -1.82 0.00 0.00 70.33 70.98 3dxj n THR 190 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3dxj n ASP 191 N -0.31 0.00 -4.79 8.00 5.75 -1.25 -3.10 116.55 120.85 3dxj n ASP 191 Ca 0.05 -0.74 -0.35 0.00 -0.01 0.00 0.00 54.79 53.73 3dxj n ASP 191 Cb 0.26 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 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 -2.14 3.97 0.34 -2.12 1.43 -1.14 -4.10 118.68 114.93 3dxj s LEU 192 Ca 0.41 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 3dxj s LEU 192 Cb 0.20 -4.37 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 3dxj s LEU 192 CO 0.37 -0.73 0.73 -1.81 0.23 0.00 0.00 176.35 175.14 3dxj s ASP 193 N -1.71 6.67 -0.30 2.29 1.11 0.31 -0.10 116.67 124.95 3dxj s ASP 193 Ca 0.64 1.19 -0.02 0.00 0.18 0.00 0.00 52.55 54.54 3dxj s ASP 193 Cb -0.21 -2.34 0.10 0.00 1.07 0.00 0.00 42.92 41.54 3dxj s ASP 193 CO 0.26 -0.26 0.10 -0.75 1.18 0.00 0.00 175.17 175.70 3dxj s LYS 194 N -3.26 0.54 -0.05 8.23 2.20 0.10 -0.55 119.74 126.95 3dxj s LYS 194 Ca 0.52 -0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 55.00 3dxj s LYS 194 Cb -0.10 -1.73 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 3dxj s LYS 194 CO 0.22 -0.98 0.83 -1.17 -0.36 0.00 0.00 175.35 173.89 3dxj s LEU 195 N 1.78 4.32 -0.06 5.43 2.96 -0.54 -1.81 118.68 130.75 3dxj s LEU 195 Ca 0.09 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 3dxj s LEU 195 Cb -0.17 -3.29 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 3dxj s LEU 195 CO -0.28 -0.21 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.41 3dxj s THR 196 N 1.06 2.14 -0.05 3.68 2.01 -0.92 -0.52 115.64 123.05 3dxj s THR 196 Ca 0.43 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 3dxj s THR 196 Cb -0.19 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.57 3dxj s THR 196 CO 0.21 0.57 0.10 -0.22 -0.69 0.00 0.00 174.62 174.59 3dxj s LEU 197 N -0.14 0.52 -0.10 4.42 2.96 0.35 -1.77 118.68 124.91 3dxj s LEU 197 Ca -0.04 0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3dxj s LEU 197 Cb -0.14 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.67 3dxj s LEU 197 CO 0.04 -0.18 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.67 3dxj s ARG 198 N 1.59 3.07 -0.03 1.98 0.52 0.76 0.51 118.95 127.34 3dxj s ARG 198 Ca -0.04 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 3dxj s ARG 198 Cb -0.12 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.71 3dxj s ARG 198 CO -0.05 0.46 -0.07 0.42 0.02 0.00 0.00 175.30 176.09 3dxj s ILE 199 N -0.27 0.66 -0.28 1.52 1.01 -0.81 -0.65 121.20 122.37 3dxj s ILE 199 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3dxj s ILE 199 Cb -0.13 -0.62 0.03 0.00 0.01 0.00 0.00 42.46 41.75 3dxj s ILE 199 CO 0.03 0.23 0.01 0.26 0.00 0.00 0.00 174.94 175.46 3dxj s TRP 200 N 0.45 3.16 0.00 3.97 0.52 0.48 -3.11 118.94 124.41 3dxj s TRP 200 Ca -0.07 -1.50 0.00 0.00 0.02 0.00 0.00 56.10 54.55 3dxj s TRP 200 Cb -0.10 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.08 3dxj s TRP 200 CO 0.01 -0.72 0.00 0.25 0.02 0.00 0.00 176.95 176.51 3dxj n THR 201 N 4.72 0.00 -0.02 2.01 -2.24 0.23 0.37 114.28 119.34 3dxj n THR 201 Ca -0.15 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3dxj n THR 201 Cb 0.46 -0.95 0.14 0.00 -2.10 0.00 0.00 70.33 67.88 3dxj n THR 201 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dxj n ASP 202 N -2.33 2.75 0.00 3.42 5.75 0.16 -4.18 116.55 122.13 3dxj n ASP 202 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3dxj n ASP 202 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3dxj n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxj n GLY 203 N 0.61 2.56 0.63 6.12 0.00 -1.26 -4.80 105.19 109.04 3dxj n GLY 203 Ca 0.11 -0.56 0.49 0.00 0.00 0.00 0.00 46.02 46.05 3dxj n GLY 203 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dxj h SER 204 N 0.00 0.07 -3.62 1.61 4.64 -1.92 -3.36 113.55 110.98 3dxj h SER 204 Ca 0.00 0.05 -0.48 0.00 -0.47 0.00 0.00 61.79 60.89 3dxj h SER 204 Cb 0.00 0.05 -0.32 0.00 -0.31 0.00 0.00 62.40 61.82 3dxj h SER 204 CO 0.00 -0.09 -0.81 -0.69 -0.87 0.00 0.00 176.83 174.38 3dxj s VAL 205 N -5.00 1.01 0.24 0.95 1.01 -1.26 -5.11 120.40 112.24 3dxj s VAL 205 Ca -0.06 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 3dxj s VAL 205 Cb 0.28 -0.92 -0.12 0.00 0.00 0.00 0.00 36.38 35.63 3dxj s VAL 205 CO 0.87 0.32 1.66 -0.89 0.00 0.00 0.00 175.10 177.06 3dxj s THR 206 N 0.45 2.08 0.23 3.92 2.01 -1.24 -4.65 115.64 118.43 3dxj s THR 206 Ca -0.09 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 3dxj s THR 206 Cb -0.13 -3.04 0.22 0.00 0.01 0.00 0.00 72.50 69.56 3dxj s THR 206 CO 0.02 0.01 1.55 -2.65 -0.69 0.00 0.00 174.62 172.86 3dxj n PRO 207 N 3.29 -0.25 0.00 4.92 -0.02 -1.21 -1.22 135.00 140.50 3dxj n PRO 207 Ca 0.13 1.54 0.00 0.00 -2.02 0.00 0.00 63.50 63.14 3dxj n PRO 207 Cb 0.36 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3dxj n PRO 207 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3dxj n LEU 208 N -5.46 0.00 -0.11 2.45 7.94 -1.26 -1.99 117.00 118.57 3dxj n LEU 208 Ca 0.10 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 3dxj n LEU 208 Cb 0.39 -0.16 0.02 0.00 0.53 0.00 0.00 43.42 44.20 3dxj n LEU 208 CO -0.14 -0.16 0.17 -0.62 -1.11 0.00 0.00 177.39 175.53 3dxj n GLU 209 N -1.47 -0.06 0.00 1.96 1.02 -0.36 0.20 120.64 121.94 3dxj n GLU 209 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3dxj n GLU 209 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 -3.86 -0.24 -0.09 0.62 0.00 -0.93 -1.55 120.51 114.46 3dxj n ALA 210 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3dxj n ALA 210 Cb 0.12 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.18 -0.23 -0.17 0.00 7.94 0.55 0.20 117.00 123.10 3dxj n LEU 211 Ca 0.00 0.47 -0.08 0.00 -1.11 0.00 0.00 56.01 55.29 3dxj n LEU 211 Cb 0.00 -0.09 -0.06 0.00 0.53 0.00 0.00 43.42 43.80 3dxj n LEU 211 CO 0.00 -0.36 0.49 0.78 -1.11 0.00 0.00 177.39 177.20 3dxj h ASN 212 N 0.00 -1.25 -0.43 1.96 2.35 -0.76 -0.33 115.58 117.12 3dxj h ASN 212 Ca 0.04 0.18 0.08 0.00 -0.55 0.00 0.00 56.30 56.04 3dxj h ASN 212 Cb 0.09 0.54 -0.09 0.00 0.05 0.00 0.00 38.32 38.90 3dxj h ASN 212 CO -0.21 -0.20 -0.40 1.56 -1.65 0.00 0.00 177.43 176.53 3dxj h GLN 213 N -0.13 -0.29 -0.18 0.81 4.20 0.32 -1.65 115.11 118.21 3dxj h GLN 213 Ca 0.07 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3dxj h GLN 213 Cb 0.31 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3dxj h GLN 213 CO -0.48 -0.19 -0.21 0.00 -0.67 0.00 0.00 178.83 177.29 3dxj h ALA 214 N 0.54 -0.45 -0.93 3.87 0.00 0.65 -0.21 119.26 122.74 3dxj h ALA 214 Ca 0.15 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.23 3dxj h ALA 214 Cb 0.57 0.90 -0.16 0.00 0.00 0.00 0.00 17.79 19.10 3dxj h ALA 214 CO -0.58 -0.55 -0.33 -0.39 0.00 0.00 0.00 179.25 177.40 3dxj h VAL 215 N -0.13 0.04 -0.04 0.00 -1.51 -0.82 -0.14 116.25 113.65 3dxj h VAL 215 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 3dxj h VAL 215 Cb 0.21 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.41 3dxj h VAL 215 CO -0.24 0.00 -0.05 -0.08 -1.23 0.00 0.00 177.57 175.98 3dxj h GLU 216 N -0.02 -0.03 -0.24 5.19 4.57 -0.15 0.63 114.58 124.53 3dxj h GLU 216 Ca 0.37 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.57 3dxj h GLU 216 Cb 0.62 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 3dxj h GLU 216 CO -0.94 -0.02 -0.14 -0.89 -1.18 0.00 0.00 179.01 175.83 3dxj n ILE 217 N -2.95 -0.16 -0.02 2.32 5.41 -0.13 0.25 119.36 124.07 3dxj n ILE 217 Ca -0.00 1.21 -0.09 0.00 1.00 0.00 0.00 62.75 64.87 3dxj n ILE 217 Cb 0.03 -1.56 -0.06 0.00 -0.71 0.00 0.00 39.64 37.34 3dxj n ILE 217 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3dxj h LEU 218 N 0.00 -1.02 -0.58 1.39 5.85 -0.68 0.81 115.31 121.08 3dxj h LEU 218 Ca 0.04 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3dxj h LEU 218 Cb 0.10 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 3dxj h LEU 218 CO -0.23 -0.27 -0.53 -0.09 -0.34 0.00 0.00 178.44 176.99 3dxj h ARG 219 N -0.31 -0.26 -1.13 1.25 2.43 0.30 1.44 114.38 118.10 3dxj h ARG 219 Ca 0.02 0.02 0.32 0.00 -0.81 0.00 0.00 59.98 59.53 3dxj h ARG 219 Cb 0.38 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 3dxj h ARG 219 CO -0.28 -0.17 0.80 1.49 -1.51 0.00 0.00 179.97 180.30 3dxj h GLU 220 N -0.27 0.05 -0.22 0.20 4.22 0.41 0.27 114.58 119.25 3dxj h GLU 220 Ca 0.12 -0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.36 3dxj h GLU 220 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3dxj h GLU 220 CO -0.69 0.04 -0.64 0.45 -2.18 0.00 0.00 179.01 175.98 3dxj h HIS 221 N 0.06 1.02 0.00 0.92 3.86 0.89 -2.93 115.15 118.97 3dxj h HIS 221 Ca 0.55 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3dxj h HIS 221 Cb 2.09 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 30.38 3dxj h HIS 221 CO -0.00 1.22 0.09 1.28 0.86 0.00 0.00 177.93 181.38 3dxj n LEU 222 N -3.97 0.00 0.17 2.43 4.77 0.96 0.10 117.00 121.47 3dxj n LEU 222 Ca -0.05 0.39 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 3dxj n LEU 222 Cb 0.67 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 41.57 3dxj n LEU 222 CO 0.51 -0.39 0.61 0.74 -1.33 0.00 0.00 177.39 177.53 3dxj h THR 223 N 0.00 0.73 0.00 -5.08 2.02 -1.53 -3.26 112.91 105.80 3dxj h THR 223 Ca 0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 3dxj h THR 223 Cb 0.18 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3dxj h THR 223 CO 0.00 0.38 0.00 -1.22 0.37 0.00 0.00 175.52 175.05 3dxj n TYR 224 N -3.30 0.00 0.22 3.16 0.53 0.11 -0.94 117.16 116.94 3dxj n TYR 224 Ca 0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.00 3dxj n TYR 224 Cb 0.61 -0.18 -0.15 0.00 -1.03 0.00 0.00 39.34 38.59 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 -1.18 0.05 -0.06 -0.72 3.01 -1.23 -4.26 117.46 113.06 3dxj n PHE 225 Ca 0.06 0.01 0.18 0.00 1.01 0.00 0.00 57.45 58.72 3dxj n PHE 225 Cb 0.07 -0.41 0.62 0.00 -0.01 0.00 0.00 39.48 39.75 3dxj n PHE 225 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3dxj h SER 226 N 0.00 0.14 -3.19 4.37 0.02 -1.23 -3.35 113.55 110.31 3dxj h SER 226 Ca 0.00 0.01 -0.75 0.00 -0.84 0.00 0.00 61.79 60.21 3dxj h SER 226 Cb 0.89 -0.02 -0.25 0.00 0.14 0.00 0.00 62.40 63.16 3dxj h SER 226 CO 0.00 0.08 -0.29 0.21 -1.14 0.00 0.00 176.83 175.69 3dxj s ASN 227 N -6.12 6.05 1.20 3.07 3.84 -1.26 -5.07 114.94 116.65 3dxj s ASN 227 Ca -0.06 -1.70 -0.13 0.00 0.21 0.00 0.00 52.86 51.17 3dxj s ASN 227 Cb 0.20 -2.15 0.30 0.00 -0.55 0.00 0.00 41.25 39.05 3dxj s ASN 227 CO 0.74 -0.77 1.02 -2.84 -2.79 0.00 0.00 177.10 172.46 3dxj s PRO 228 N 1.55 -1.17 -0.35 0.43 0.02 -1.26 -5.06 135.00 129.16 3dxj s PRO 228 Ca 0.04 0.79 -0.03 0.00 0.02 0.00 0.00 61.00 61.82 3dxj s PRO 228 Cb -0.28 -1.53 0.19 0.00 0.02 0.00 0.00 34.50 32.90 3dxj s PRO 228 CO 0.03 -3.88 0.88 -1.14 -0.33 0.00 0.00 177.00 172.56 3dxj s GLN 229 N -4.43 0.41 0.58 5.54 2.00 -1.26 -5.16 119.66 117.34 3dxj s GLN 229 Ca 0.69 -0.08 -0.18 0.00 -2.00 0.00 0.00 55.36 53.79 3dxj s GLN 229 Cb -0.25 0.06 -0.11 0.00 0.80 0.00 0.00 33.01 33.51 3dxj s GLN 229 CO 0.65 -0.61 0.18 0.00 -0.50 0.00 0.00 175.29 175.02 3dxj n ALA 230 N 4.15 -2.23 -3.59 1.58 0.00 -1.26 -5.01 120.51 114.15 3dxj n ALA 230 Ca 0.08 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 3dxj n ALA 230 Cb 0.60 -1.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 3dxj n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj s ALA 231 N -1.88 -1.84 -0.61 0.00 0.00 -1.26 -5.09 121.76 111.08 3dxj s ALA 231 Ca 0.62 1.68 -0.37 0.00 0.00 0.00 0.00 51.96 53.89 3dxj s ALA 231 Cb -0.44 -0.76 -0.17 0.00 0.00 0.00 0.00 23.12 21.75 3dxj s ALA 231 CO 0.61 -0.32 2.33 0.00 0.00 0.00 0.00 175.76 178.38 3dxj n ALA 232 N 1.64 0.46 -2.04 0.00 0.00 -1.26 -4.80 120.51 114.51 3dxj n ALA 232 Ca -0.15 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 3dxj n ALA 232 Cb 0.56 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 3dxj n ALA 232 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dxj s VAL 233 N 7.56 3.01 0.04 0.00 1.01 -1.26 -4.81 120.40 125.94 3dxj s VAL 233 Ca 1.21 0.75 0.14 0.00 0.00 0.00 0.00 61.98 64.07 3dxj s VAL 233 Cb -1.21 -3.48 0.14 0.00 0.00 0.00 0.00 36.38 31.83 3dxj s VAL 233 CO 0.55 0.07 1.33 0.00 0.00 0.00 0.00 175.10 177.05 3dxj h ALA 234 N 6.41 1.20 -0.64 5.51 0.00 -2.06 -3.28 119.26 126.40 3dxj h ALA 234 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dxj h ALA 234 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dxj h ALA 234 CO 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3dxj n ALA 235 N -1.58 -0.12 -0.13 0.00 0.00 -1.26 -4.05 120.51 113.37 3dxj n ALA 235 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3dxj n ALA 235 Cb 0.32 0.31 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 3dxj n ALA 235 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dxj n PRO 236 N -2.29 0.00 -4.38 0.00 -0.02 -1.24 -4.81 135.00 122.27 3dxj n PRO 236 Ca 0.00 -0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 60.91 3dxj n PRO 236 Cb 0.00 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3dxj n PRO 236 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3dxj s GLU 237 N 4.04 1.43 -0.33 -0.52 -1.05 -1.26 -5.05 118.70 115.97 3dxj s GLU 237 Ca 0.01 -1.71 -0.02 0.00 -0.15 0.00 0.00 54.97 53.10 3dxj s GLU 237 Cb 0.00 -0.94 0.15 0.00 -0.44 0.00 0.00 34.13 32.90 3dxj s GLU 237 CO 0.00 0.01 2.28 0.39 0.95 0.00 0.00 175.26 178.89 3dxj n GLU 238 N -0.48 1.95 -2.66 -4.83 1.02 -1.26 -4.86 120.64 109.51 3dxj n GLU 238 Ca -0.06 -1.71 -0.42 0.00 -0.02 0.00 0.00 57.16 54.96 3dxj n GLU 238 Cb 0.63 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3dxj n GLU 238 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj s ALA 239 N -1.63 2.88 -0.50 0.62 0.00 -1.26 -4.85 121.76 117.01 3dxj s ALA 239 Ca 0.39 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 3dxj s ALA 239 Cb 0.28 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3dxj s ALA 239 CO -0.06 -3.12 1.63 1.63 0.00 0.00 0.00 175.76 175.83 3dxj n LYS 240 N 8.75 1.13 -0.12 0.00 4.01 -1.26 -4.06 118.16 126.61 3dxj n LYS 240 Ca 0.02 -1.06 -0.19 0.00 -0.51 0.00 0.00 58.31 56.57 3dxj n LYS 240 Cb 0.48 -2.29 -0.10 0.00 -0.51 0.00 0.00 35.03 32.61 3dxj n LYS 240 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3dxj n GLU 241 N 4.77 0.55 -2.06 1.97 4.07 -1.26 -5.06 120.64 123.62 3dxj n GLU 241 Ca 0.26 0.16 -0.29 0.00 -0.06 0.00 0.00 57.16 57.24 3dxj n GLU 241 Cb 0.10 -1.43 0.18 0.00 -0.06 0.00 0.00 31.44 30.23 3dxj n GLU 241 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3dxj s PRO 242 N -2.45 0.66 0.00 5.31 0.04 -1.26 -5.31 135.00 131.99 3dxj s PRO 242 Ca -0.32 -0.62 0.24 0.00 0.04 0.00 0.00 61.00 60.34 3dxj s PRO 242 Cb 0.09 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.91 3dxj s PRO 242 CO 0.50 -2.34 1.26 -0.85 0.04 0.00 0.00 177.00 175.61