#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5j n LEU 2 N 0.00 0.31 0.00 4.03 4.77 -1.26 -4.47 117.00 120.38 2o5j n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2o5j n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2o5j n LEU 2 CO 0.00 -0.17 0.00 -0.67 -1.33 0.00 0.00 177.39 175.22 2o5j n ASP 3 N -2.50 0.00 0.07 -1.43 2.03 -1.26 -4.32 116.55 109.13 2o5j n ASP 3 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2o5j n ASP 3 Cb 0.20 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 2o5j n ASP 3 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2o5j h SER 4 N 0.00 0.00 0.44 1.67 0.02 -1.98 -3.16 113.55 110.54 2o5j h SER 4 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 2o5j h SER 4 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2o5j h SER 4 CO 0.00 0.73 -1.69 0.50 -1.14 0.00 0.00 176.83 175.24 2o5j h LYS 5 N 0.00 0.11 -0.49 3.45 1.63 -1.95 -3.31 116.57 116.01 2o5j h LYS 5 Ca -0.09 -0.19 -0.06 0.00 -0.85 0.00 0.00 60.65 59.46 2o5j h LYS 5 Cb 1.64 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 33.32 2o5j h LYS 5 CO 0.08 0.82 0.07 1.25 -3.45 0.00 0.00 179.45 178.23 2o5j h LEU 6 N 0.03 0.72 -6.39 5.20 5.85 -1.75 -3.11 115.31 115.85 2o5j h LEU 6 Ca -0.29 -0.14 -0.58 0.00 0.84 0.00 0.00 57.88 57.71 2o5j h LEU 6 Cb 2.00 -0.19 0.06 0.00 0.37 0.00 0.00 40.66 42.90 2o5j h LEU 6 CO 0.10 0.74 2.17 1.17 -0.34 0.00 0.00 178.44 182.28 2o5j n LYS 7 N -4.26 1.32 -4.36 1.25 4.81 -1.19 -4.85 118.16 110.87 2o5j n LYS 7 Ca 0.03 -1.63 -0.27 0.00 -0.87 0.00 0.00 58.31 55.58 2o5j n LYS 7 Cb 0.25 -2.76 -0.11 0.00 0.02 0.00 0.00 35.03 32.43 2o5j n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2o5j s ALA 8 N 5.07 2.73 -0.63 3.14 0.00 -1.18 -4.91 121.76 125.98 2o5j s ALA 8 Ca 0.55 -1.56 -0.35 0.00 0.00 0.00 0.00 51.96 50.60 2o5j s ALA 8 Cb 0.13 -0.52 -0.16 0.00 0.00 0.00 0.00 23.12 22.57 2o5j s ALA 8 CO 0.13 0.45 2.39 -2.30 0.00 0.00 0.00 175.76 176.42 2o5j n PRO 9 N 0.16 0.43 -2.23 0.00 -0.02 -1.26 -4.57 135.00 127.51 2o5j n PRO 9 Ca -0.12 0.08 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 2o5j n PRO 9 Cb 0.56 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2o5j n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o5j s VAL 10 N 8.26 3.52 -0.57 -1.45 1.01 -0.11 -4.79 120.40 126.27 2o5j s VAL 10 Ca 1.20 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 2o5j s VAL 10 Cb -1.06 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 30.99 2o5j s VAL 10 CO 0.50 -1.28 1.58 0.12 0.00 0.00 0.00 175.10 176.02 2o5j s PHE 11 N 7.90 2.04 -0.10 5.22 5.36 -1.26 -3.80 117.98 133.34 2o5j s PHE 11 Ca 0.56 0.53 -0.01 0.00 -0.96 0.00 0.00 56.93 57.05 2o5j s PHE 11 Cb -0.09 -4.30 -0.03 0.00 -0.34 0.00 0.00 43.02 38.26 2o5j s PHE 11 CO 0.13 -2.20 -0.05 0.95 -1.46 0.00 0.00 175.22 172.60 2o5j s THR 12 N 7.05 3.86 0.04 0.12 -4.23 0.10 -5.01 115.64 117.58 2o5j s THR 12 Ca 0.58 -0.40 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 2o5j s THR 12 Cb -0.12 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 2o5j s THR 12 CO 0.23 0.57 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.97 2o5j s VAL 13 N -0.48 1.80 -0.34 2.29 1.01 -1.26 -1.21 120.40 122.21 2o5j s VAL 13 Ca 0.07 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2o5j s VAL 13 Cb -0.12 -1.55 0.14 0.00 0.00 0.00 0.00 36.38 34.85 2o5j s VAL 13 CO 0.02 0.27 0.31 -0.13 0.00 0.00 0.00 175.10 175.57 2o5j s ARG 14 N -1.14 0.50 -0.09 2.72 0.52 -1.07 -5.04 118.95 115.35 2o5j s ARG 14 Ca 0.09 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 2o5j s ARG 14 Cb -0.09 -0.82 0.01 0.00 0.52 0.00 0.00 34.95 34.57 2o5j s ARG 14 CO 0.02 -1.14 -0.18 -0.08 0.02 0.00 0.00 175.30 173.93 2o5j s THR 15 N 1.70 1.66 -0.21 0.02 -1.32 -1.26 -1.29 115.64 114.94 2o5j s THR 15 Ca 0.14 -0.78 -0.02 0.00 -1.21 0.00 0.00 61.69 59.83 2o5j s THR 15 Cb -0.16 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.36 2o5j s THR 15 CO -0.14 0.47 -0.09 -1.10 -2.21 0.00 0.00 174.62 171.55 2o5j s GLN 16 N 0.60 3.20 2.11 7.08 -1.52 -1.10 -5.02 119.66 125.01 2o5j s GLN 16 Ca -0.14 -0.73 0.00 0.00 -1.95 0.00 0.00 55.36 52.54 2o5j s GLN 16 Cb -0.17 -2.88 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 2o5j s GLN 16 CO 0.05 -0.23 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 2o5j n GLY 17 N 4.73 -0.86 0.61 3.09 0.00 -1.26 -3.42 105.19 108.07 2o5j n GLY 17 Ca -0.19 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 44.73 2o5j n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o5j n ARG 18 N -0.21 1.71 -0.10 1.61 1.74 -1.26 -4.67 116.66 115.48 2o5j n ARG 18 Ca 0.00 -1.65 -0.15 0.00 -0.77 0.00 0.00 57.85 55.28 2o5j n ARG 18 Cb 0.00 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 2o5j n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2o5j n GLU 19 N 0.69 0.53 -4.01 5.56 4.71 -1.26 -3.96 120.64 122.90 2o5j n GLU 19 Ca 0.10 0.38 -0.34 0.00 -0.01 0.00 0.00 57.16 57.28 2o5j n GLU 19 Cb 0.38 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 2o5j n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2o5j s TYR 20 N -2.54 3.43 -0.29 -0.32 6.04 -1.22 0.51 117.35 122.95 2o5j s TYR 20 Ca -0.28 0.32 0.02 0.00 0.04 0.00 0.00 57.07 57.18 2o5j s TYR 20 Cb 0.06 -1.82 0.19 0.00 -1.04 0.00 0.00 41.96 39.36 2o5j s TYR 20 CO 0.42 0.62 0.58 0.20 -1.54 0.00 0.00 175.55 175.82 2o5j s GLY 21 N -1.57 -1.06 0.27 8.97 0.00 -0.83 -2.71 107.32 110.39 2o5j s GLY 21 Ca 0.22 1.40 -0.18 0.00 0.00 0.00 0.00 44.72 46.16 2o5j s GLY 21 CO 0.12 3.45 0.74 1.85 0.00 0.00 0.00 173.10 179.26 2o5j s GLU 22 N 2.82 4.16 -0.21 2.90 2.12 -0.41 -2.04 118.70 128.04 2o5j s GLU 22 Ca 0.16 0.81 -0.04 0.00 0.36 0.00 0.00 54.97 56.25 2o5j s GLU 22 Cb -0.13 -2.70 0.08 0.00 0.26 0.00 0.00 34.13 31.65 2o5j s GLU 22 CO -0.23 0.29 0.16 -0.06 -0.54 0.00 0.00 175.26 174.88 2o5j s PHE 23 N -1.71 -0.02 -0.10 5.30 0.08 -1.01 -2.59 117.98 117.93 2o5j s PHE 23 Ca 0.48 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 57.27 2o5j s PHE 23 Cb -0.14 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2o5j s PHE 23 CO 0.20 -0.62 0.17 0.08 -0.10 0.00 0.00 175.22 174.94 2o5j s VAL 24 N 2.22 5.47 -0.23 -0.44 1.01 -0.35 -1.51 120.40 126.56 2o5j s VAL 24 Ca 0.05 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2o5j s VAL 24 Cb -0.16 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2o5j s VAL 24 CO -0.16 0.58 0.35 -0.22 0.00 0.00 0.00 175.10 175.65 2o5j s LEU 25 N -1.13 -0.54 0.10 3.92 0.20 0.07 -0.72 118.68 120.57 2o5j s LEU 25 Ca 0.17 0.21 -0.16 0.00 0.69 0.00 0.00 54.13 55.04 2o5j s LEU 25 Cb -0.12 1.00 0.03 0.00 -0.43 0.00 0.00 46.19 46.67 2o5j s LEU 25 CO 0.06 -0.30 0.39 -0.70 -0.29 0.00 0.00 176.35 175.51 2o5j s GLU 26 N 2.51 1.01 0.55 1.98 -6.30 -1.25 -2.74 118.70 114.47 2o5j s GLU 26 Ca 0.11 -0.64 -0.08 0.00 -2.50 0.00 0.00 54.97 51.86 2o5j s GLU 26 Cb -0.15 0.44 -0.03 0.00 0.00 0.00 0.00 34.13 34.39 2o5j s GLU 26 CO -0.15 -0.38 0.90 -2.14 0.02 0.00 0.00 175.26 173.51 2o5j s PRO 27 N -3.47 3.45 0.05 4.30 0.02 -1.26 -0.93 135.00 137.16 2o5j s PRO 27 Ca 0.01 0.38 0.06 0.00 0.02 0.00 0.00 61.00 61.47 2o5j s PRO 27 Cb 0.01 -2.24 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 2o5j s PRO 27 CO -0.09 -0.44 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.47 2o5j s LEU 28 N -4.96 2.20 0.00 -5.54 1.43 -0.43 -4.33 118.68 107.05 2o5j s LEU 28 Ca 0.51 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2o5j s LEU 28 Cb -0.11 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.43 2o5j s LEU 28 CO 0.48 0.04 0.00 -0.62 0.23 0.00 0.00 176.35 176.49 2o5j n GLU 29 N 1.72 2.78 -3.29 1.70 -0.58 -1.26 -1.96 120.64 119.75 2o5j n GLU 29 Ca -0.18 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.17 2o5j n GLU 29 Cb 0.54 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.35 2o5j n GLU 29 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2o5j s ARG 30 N 0.00 4.31 -1.46 3.49 6.06 -1.26 -3.07 118.95 127.02 2o5j s ARG 30 Ca 0.00 0.46 -0.12 0.00 -2.50 0.00 0.00 55.73 53.57 2o5j s ARG 30 Cb 0.00 -3.46 0.08 0.00 0.06 0.00 0.00 34.95 31.63 2o5j s ARG 30 CO 0.00 0.09 0.74 0.41 -2.50 0.00 0.00 175.30 174.03 2o5j n GLY 31 N 3.40 -0.49 0.05 8.12 0.00 -1.26 -4.87 105.19 110.14 2o5j n GLY 31 Ca -0.06 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.13 2o5j n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2o5j n PHE 32 N -4.35 0.15 -0.26 1.61 0.99 -1.26 -3.67 117.46 110.68 2o5j n PHE 32 Ca 0.01 0.05 0.02 0.00 -0.00 0.00 0.00 57.45 57.53 2o5j n PHE 32 Cb 0.54 -0.75 0.24 0.00 -1.00 0.00 0.00 39.48 38.51 2o5j n PHE 32 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2o5j h GLY 33 N 3.97 1.16 1.68 1.37 0.00 -1.89 -1.06 103.07 108.31 2o5j h GLY 33 Ca -0.20 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.51 2o5j h GLY 33 CO 0.01 0.36 -0.97 -0.24 0.00 0.00 0.00 176.54 175.71 2o5j h VAL 34 N 1.03 1.47 0.00 4.60 3.04 -1.97 -0.97 116.25 123.45 2o5j h VAL 34 Ca 0.32 -2.66 -0.04 0.00 -1.01 0.00 0.00 66.70 63.31 2o5j h VAL 34 Cb 0.02 2.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 2o5j h VAL 34 CO -0.09 0.78 -0.21 0.74 -1.01 0.00 0.00 177.57 177.78 2o5j h THR 35 N 0.14 0.97 0.01 3.17 2.02 -1.42 -2.78 112.91 115.03 2o5j h THR 35 Ca -0.07 -0.75 -0.41 0.00 0.77 0.00 0.00 66.41 65.95 2o5j h THR 35 Cb 1.62 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 2o5j h THR 35 CO 0.16 0.20 -2.28 0.18 0.37 0.00 0.00 175.52 174.14 2o5j n LEU 36 N -4.04 2.11 -0.18 2.58 4.77 -0.48 -4.37 117.00 117.39 2o5j n LEU 36 Ca -0.02 0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 56.23 2o5j n LEU 36 Cb 0.28 -0.87 0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2o5j n LEU 36 CO 0.35 0.58 0.96 1.23 -1.33 0.00 0.00 177.39 179.19 2o5j h GLY 37 N -0.50 0.74 0.69 -0.72 0.00 -1.21 -2.28 103.07 99.78 2o5j h GLY 37 Ca -0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2o5j h GLY 37 CO -0.32 -0.02 -0.02 -0.57 0.00 0.00 0.00 176.54 175.62 2o5j h ASN 38 N 0.36 0.13 -0.42 0.19 -0.00 -1.73 -0.87 115.58 113.24 2o5j h ASN 38 Ca 0.27 -0.37 0.06 0.00 -0.00 0.00 0.00 56.30 56.26 2o5j h ASN 38 Cb 0.32 -0.04 -0.06 0.00 -0.00 0.00 0.00 38.32 38.55 2o5j h ASN 38 CO -0.29 0.47 0.10 -0.65 -0.00 0.00 0.00 177.43 177.07 2o5j h PRO 39 N -0.21 0.23 -0.94 6.67 0.11 -1.73 0.44 132.00 136.56 2o5j h PRO 39 Ca 0.02 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.20 2o5j h PRO 39 Cb 0.42 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.41 2o5j h PRO 39 CO 0.01 0.15 0.61 -0.07 -0.21 0.00 0.00 178.00 178.49 2o5j h LEU 40 N 0.24 0.91 0.13 2.35 3.38 -1.37 -0.53 115.31 120.42 2o5j h LEU 40 Ca 0.20 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2o5j h LEU 40 Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2o5j h LEU 40 CO -0.25 0.55 -0.06 -0.09 0.09 0.00 0.00 178.44 178.67 2o5j h ARG 41 N 1.01 -0.17 -0.39 1.13 2.43 0.42 0.13 114.38 118.95 2o5j h ARG 41 Ca 0.43 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.66 2o5j h ARG 41 Cb 0.31 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2o5j h ARG 41 CO -0.18 -0.07 0.26 0.00 -1.51 0.00 0.00 179.97 178.48 2o5j h ARG 42 N -0.23 0.29 0.04 0.20 3.08 -0.28 -2.34 114.38 115.13 2o5j h ARG 42 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2o5j h ARG 42 Cb 0.18 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2o5j h ARG 42 CO 0.03 0.19 -0.02 0.82 -1.07 0.00 0.00 179.97 179.92 2o5j h ILE 43 N 0.29 1.34 -0.53 2.04 1.08 -0.72 -3.07 117.51 117.94 2o5j h ILE 43 Ca 0.17 -1.55 0.15 0.00 -0.39 0.00 0.00 64.86 63.24 2o5j h ILE 43 Cb 0.30 2.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 2o5j h ILE 43 CO -0.04 0.37 0.52 -0.07 -0.69 0.00 0.00 178.15 178.24 2o5j h LEU 44 N -0.78 0.00 0.06 1.44 3.38 -0.26 0.35 115.31 119.49 2o5j h LEU 44 Ca -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2o5j h LEU 44 Cb 0.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2o5j h LEU 44 CO 0.01 0.00 -2.25 0.18 0.09 0.00 0.00 178.44 176.47 2o5j n LEU 45 N -3.81 2.75 -0.09 1.67 4.32 -0.93 -4.58 117.00 116.34 2o5j n LEU 45 Ca 0.10 0.03 -0.23 0.00 -0.02 0.00 0.00 56.01 55.89 2o5j n LEU 45 Cb 0.73 -0.96 -0.12 0.00 -1.62 0.00 0.00 43.42 41.44 2o5j n LEU 45 CO 0.29 0.89 -0.68 -1.54 -1.22 0.00 0.00 177.39 175.14 2o5j n SER 46 N -3.35 1.91 0.11 -1.43 3.41 -0.87 -4.72 113.62 108.69 2o5j n SER 46 Ca -0.39 0.37 -0.23 0.00 -0.26 0.00 0.00 58.87 58.36 2o5j n SER 46 Cb 1.02 -0.93 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 2o5j n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2o5j h SER 47 N -0.81 0.79 -2.87 4.04 0.02 -0.54 -3.39 113.55 110.78 2o5j h SER 47 Ca -0.40 -0.90 -0.56 0.00 -0.84 0.00 0.00 61.79 59.09 2o5j h SER 47 Cb 1.46 -0.25 0.08 0.00 0.14 0.00 0.00 62.40 63.83 2o5j h SER 47 CO -0.18 1.62 0.76 -0.38 -1.14 0.00 0.00 176.83 177.51 2o5j n ILE 48 N -3.83 0.83 -2.89 3.27 5.41 -1.24 -4.86 119.36 116.06 2o5j n ILE 48 Ca -0.15 -0.21 -0.29 0.00 1.00 0.00 0.00 62.75 63.10 2o5j n ILE 48 Cb 1.01 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 38.22 2o5j n ILE 48 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2o5j s PRO 49 N -0.23 3.65 0.00 0.38 0.04 -1.26 -4.54 135.00 133.04 2o5j s PRO 49 Ca 0.68 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2o5j s PRO 49 Cb -0.58 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2o5j s PRO 49 CO 0.47 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.87 2o5j n GLY 50 N -1.62 3.12 3.07 0.56 0.00 -0.42 -4.61 105.19 105.29 2o5j n GLY 50 Ca 0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2o5j n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2o5j s THR 51 N 0.31 0.29 -0.14 2.61 -4.23 -1.26 -2.40 115.64 110.81 2o5j s THR 51 Ca 0.00 -1.53 -0.32 0.00 -1.18 0.00 0.00 61.69 58.66 2o5j s THR 51 Cb 0.00 -1.14 0.13 0.00 1.34 0.00 0.00 72.50 72.83 2o5j s THR 51 CO 0.00 -0.80 1.10 0.00 -0.54 0.00 0.00 174.62 174.38 2o5j s ALA 52 N -3.03 -1.98 -0.27 3.99 0.00 -1.12 -4.40 121.76 114.95 2o5j s ALA 52 Ca 0.00 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 2o5j s ALA 52 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2o5j s ALA 52 CO -0.06 -0.53 1.49 0.08 0.00 0.00 0.00 175.76 176.74 2o5j s VAL 53 N -2.20 3.87 -0.04 0.00 1.01 -1.26 -2.27 120.40 119.51 2o5j s VAL 53 Ca 0.06 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.11 2o5j s VAL 53 Cb -0.01 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.23 2o5j s VAL 53 CO -0.05 -0.40 0.68 0.74 0.00 0.00 0.00 175.10 176.07 2o5j h THR 54 N 6.13 0.88 -3.22 3.92 2.02 -1.72 -3.41 112.91 117.50 2o5j h THR 54 Ca -0.30 -2.71 -0.02 0.00 0.77 0.00 0.00 66.41 64.14 2o5j h THR 54 Cb 1.13 2.46 -0.11 0.00 -1.74 0.00 0.00 68.15 69.88 2o5j h THR 54 CO 1.02 0.55 0.07 -0.55 0.37 0.00 0.00 175.52 176.98 2o5j s SER 55 N -6.22 -0.34 0.01 4.18 0.15 -1.25 -1.78 113.70 108.43 2o5j s SER 55 Ca -0.06 -0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 2o5j s SER 55 Cb 0.08 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2o5j s SER 55 CO 0.82 -1.00 0.08 -0.69 1.20 0.00 0.00 173.24 173.65 2o5j s VAL 56 N -3.82 0.09 -0.18 4.45 1.01 -0.86 -0.59 120.40 120.50 2o5j s VAL 56 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2o5j s VAL 56 Cb -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 36.08 2o5j s VAL 56 CO -0.07 -0.39 0.08 -0.47 0.00 0.00 0.00 175.10 174.25 2o5j s TYR 57 N -1.29 0.39 -0.02 5.22 5.04 -0.25 -0.92 117.35 125.52 2o5j s TYR 57 Ca -0.14 -0.44 -0.20 0.00 -2.44 0.00 0.00 57.07 53.85 2o5j s TYR 57 Cb -0.08 -0.77 -0.05 0.00 0.35 0.00 0.00 41.96 41.41 2o5j s TYR 57 CO 0.01 -0.53 0.56 0.42 -1.34 0.00 0.00 175.55 174.67 2o5j s ILE 58 N 2.07 4.96 0.09 3.14 -1.09 -1.26 -1.67 121.20 127.44 2o5j s ILE 58 Ca 0.01 1.17 -0.34 0.00 -2.23 0.00 0.00 60.65 59.27 2o5j s ILE 58 Cb -0.16 -3.90 -0.16 0.00 -1.58 0.00 0.00 42.46 36.66 2o5j s ILE 58 CO -0.09 0.42 1.58 -0.08 -1.23 0.00 0.00 174.94 175.55 2o5j h GLU 59 N 5.71 -0.88 -0.01 2.79 4.81 -1.75 -2.89 114.58 122.36 2o5j h GLU 59 Ca -0.45 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2o5j h GLU 59 Cb 1.20 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2o5j h GLU 59 CO 0.70 -0.59 -0.20 -0.25 -0.73 0.00 0.00 179.01 177.94 2o5j n ASP 60 N -5.53 0.70 -4.80 1.04 9.92 -1.26 -4.87 116.55 111.75 2o5j n ASP 60 Ca -0.11 -0.65 -0.38 0.00 -0.53 0.00 0.00 54.79 53.11 2o5j n ASP 60 Cb 0.43 0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 40.88 2o5j n ASP 60 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2o5j s VAL 61 N -2.55 4.63 -0.17 2.53 1.01 -1.09 -4.99 120.40 119.77 2o5j s VAL 61 Ca 0.25 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 2o5j s VAL 61 Cb 0.19 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 2o5j s VAL 61 CO 0.51 0.50 -0.21 0.18 0.00 0.00 0.00 175.10 176.09 2o5j n LEU 62 N 1.56 1.57 -4.78 3.92 4.77 -1.26 -4.63 117.00 118.16 2o5j n LEU 62 Ca -0.08 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 2o5j n LEU 62 Cb 0.50 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2o5j n LEU 62 CO 0.43 0.44 -0.11 -1.38 -1.33 0.00 0.00 177.39 175.44 2o5j s HIS 63 N -2.32 2.61 -0.06 -1.77 -3.43 -1.26 -4.71 115.29 104.36 2o5j s HIS 63 Ca -0.24 -0.57 0.29 0.00 -0.80 0.00 0.00 55.06 53.74 2o5j s HIS 63 Cb 0.09 -2.01 0.97 0.00 -1.43 0.00 0.00 32.58 30.19 2o5j s HIS 63 CO 0.32 0.10 1.84 1.49 -2.00 0.00 0.00 174.74 176.48 2o5j h GLU 64 N 1.31 0.00 -0.98 -0.38 4.81 -1.96 -3.27 114.58 114.11 2o5j h GLU 64 Ca -0.42 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.23 2o5j h GLU 64 Cb 1.26 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.34 2o5j h GLU 64 CO 0.67 0.05 0.72 1.19 -0.73 0.00 0.00 179.01 180.90 2o5j n PHE 65 N -3.14 3.10 -3.12 0.92 3.01 -1.26 -3.49 117.46 113.49 2o5j n PHE 65 Ca 0.02 -2.32 -0.18 0.00 1.01 0.00 0.00 57.45 55.97 2o5j n PHE 65 Cb 0.40 -1.14 0.01 0.00 -0.01 0.00 0.00 39.48 38.74 2o5j n PHE 65 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2o5j s SER 66 N -1.56 5.49 -0.04 4.37 0.15 -1.24 -4.98 113.70 115.90 2o5j s SER 66 Ca 0.60 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.75 2o5j s SER 66 Cb 0.49 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2o5j s SER 66 CO 0.06 -0.80 -0.11 0.28 1.20 0.00 0.00 173.24 173.87 2o5j s THR 67 N -2.40 0.98 -0.19 6.45 -1.32 -1.26 -1.90 115.64 115.99 2o5j s THR 67 Ca 0.54 -0.45 -0.10 0.00 -1.21 0.00 0.00 61.69 60.47 2o5j s THR 67 Cb -0.08 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.99 2o5j s THR 67 CO 0.32 0.30 0.14 -0.63 -2.21 0.00 0.00 174.62 172.55 2o5j s ILE 68 N 0.25 5.41 0.61 5.08 1.01 -1.26 -5.00 121.20 127.30 2o5j s ILE 68 Ca -0.05 0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.63 2o5j s ILE 68 Cb -0.11 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2o5j s ILE 68 CO 0.01 0.46 1.22 -2.65 0.00 0.00 0.00 174.94 173.98 2o5j n PRO 69 N 3.34 1.21 -0.88 2.79 -0.02 -1.26 -2.03 135.00 138.15 2o5j n PRO 69 Ca -0.16 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2o5j n PRO 69 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2o5j n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5j n GLY 70 N 0.99 0.42 2.92 -1.23 0.00 -1.26 -4.47 105.19 102.55 2o5j n GLY 70 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2o5j n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o5j s VAL 71 N -2.13 1.50 0.12 1.61 1.01 -0.86 -0.84 120.40 120.81 2o5j s VAL 71 Ca 0.00 -1.35 -0.32 0.00 0.00 0.00 0.00 61.98 60.31 2o5j s VAL 71 Cb 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 36.38 34.41 2o5j s VAL 71 CO 0.00 -0.23 1.53 0.50 0.00 0.00 0.00 175.10 176.90 2o5j h LYS 72 N 7.94 -0.45 -7.05 2.72 3.64 -1.79 -3.42 116.57 118.16 2o5j h LYS 72 Ca -0.16 0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.72 2o5j h LYS 72 Cb 1.06 0.10 0.11 0.00 -0.41 0.00 0.00 32.23 33.09 2o5j h LYS 72 CO 0.43 -0.30 0.53 -1.83 -2.27 0.00 0.00 179.45 176.01 2o5j s GLU 73 N -5.58 3.28 0.33 1.90 1.03 -1.26 -5.00 118.70 113.41 2o5j s GLU 73 Ca -0.14 1.98 -0.09 0.00 0.03 0.00 0.00 54.97 56.75 2o5j s GLU 73 Cb 0.08 -2.21 -0.06 0.00 -0.80 0.00 0.00 34.13 31.13 2o5j s GLU 73 CO 0.59 -1.00 0.66 -0.51 -1.33 0.00 0.00 175.26 173.67 2o5j s ASP 74 N -1.25 6.53 0.31 0.83 1.11 -1.26 -4.49 116.67 118.45 2o5j s ASP 74 Ca 0.71 0.97 0.08 0.00 0.18 0.00 0.00 52.55 54.48 2o5j s ASP 74 Cb -0.34 -2.25 0.89 0.00 1.07 0.00 0.00 42.92 42.28 2o5j s ASP 74 CO 0.40 -0.27 1.66 0.58 1.18 0.00 0.00 175.17 178.72 2o5j h VAL 75 N 1.37 0.31 -0.67 -1.27 2.07 -1.62 0.17 116.25 116.62 2o5j h VAL 75 Ca -0.47 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2o5j h VAL 75 Cb 1.18 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2o5j h VAL 75 CO 0.65 0.05 0.30 0.58 0.02 0.00 0.00 177.57 179.17 2o5j h VAL 76 N 0.27 1.23 -0.15 2.57 2.07 -1.79 -0.29 116.25 120.16 2o5j h VAL 76 Ca 0.64 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2o5j h VAL 76 Cb 1.37 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2o5j h VAL 76 CO -0.63 0.28 -0.35 -0.33 0.02 0.00 0.00 177.57 176.55 2o5j h GLU 77 N 0.93 0.30 0.43 1.57 5.08 -1.09 -2.45 114.58 119.35 2o5j h GLU 77 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2o5j h GLU 77 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2o5j h GLU 77 CO -0.02 0.62 -0.21 0.82 -1.00 0.00 0.00 179.01 179.22 2o5j h ILE 78 N 0.26 0.23 -0.50 3.13 2.04 -0.88 -2.18 117.51 119.61 2o5j h ILE 78 Ca 0.03 -0.60 0.15 0.00 1.00 0.00 0.00 64.86 65.43 2o5j h ILE 78 Cb 0.75 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2o5j h ILE 78 CO 0.06 0.05 0.40 0.16 0.00 0.00 0.00 178.15 178.81 2o5j h ILE 79 N -1.07 0.63 -0.22 -0.67 -0.00 -1.10 0.22 117.51 115.30 2o5j h ILE 79 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 64.86 64.72 2o5j h ILE 79 Cb 0.53 0.72 -0.00 0.00 -0.00 0.00 0.00 36.82 38.06 2o5j h ILE 79 CO 0.10 0.00 -0.18 0.25 -0.00 0.00 0.00 178.15 178.32 2o5j h LEU 80 N 0.00 0.54 -1.88 0.16 6.46 -1.41 -2.81 115.31 116.37 2o5j h LEU 80 Ca 0.24 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 2o5j h LEU 80 Cb 1.03 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2o5j h LEU 80 CO -0.00 0.88 -0.13 0.78 -0.62 0.00 0.00 178.44 179.35 2o5j h ASN 81 N 0.21 0.00 0.11 1.25 2.35 0.02 -2.32 115.58 117.20 2o5j h ASN 81 Ca 0.04 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.63 2o5j h ASN 81 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 2o5j h ASN 81 CO 0.05 0.13 -0.59 -0.07 -1.65 0.00 0.00 177.43 175.30 2o5j h LEU 82 N 0.00 0.55 -2.83 1.61 3.38 -0.84 -2.54 115.31 114.64 2o5j h LEU 82 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2o5j h LEU 82 Cb 0.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2o5j h LEU 82 CO 0.02 1.01 0.00 0.50 0.09 0.00 0.00 178.44 180.06 2o5j h LYS 83 N 0.37 0.00 0.00 1.13 3.64 -1.18 -0.29 116.57 120.24 2o5j h LYS 83 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2o5j h LYS 83 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2o5j h LYS 83 CO 0.11 0.00 -0.52 1.49 -2.27 0.00 0.00 179.45 178.25 2o5j h GLU 84 N 0.00 0.00 -6.45 1.90 4.57 -1.48 -3.46 114.58 109.66 2o5j h GLU 84 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 2o5j h GLU 84 Cb 0.04 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2o5j h GLU 84 CO 0.00 0.42 0.95 -1.17 -1.18 0.00 0.00 179.01 178.03 2o5j s LEU 85 N -6.36 4.36 -0.31 1.64 2.96 -0.12 -4.99 118.68 115.86 2o5j s LEU 85 Ca 0.04 2.42 -0.04 0.00 -0.22 0.00 0.00 54.13 56.33 2o5j s LEU 85 Cb 0.07 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.24 2o5j s LEU 85 CO 0.74 -0.85 0.05 0.54 -1.32 0.00 0.00 176.35 175.51 2o5j s VAL 86 N 2.46 3.42 0.27 1.68 0.11 -1.26 -4.72 120.40 122.35 2o5j s VAL 86 Ca 0.72 -1.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.67 2o5j s VAL 86 Cb -0.38 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2o5j s VAL 86 CO 0.31 -0.09 0.25 0.68 -3.33 0.00 0.00 175.10 172.92 2o5j s VAL 87 N 1.35 4.34 -0.24 2.04 -7.23 -1.26 -2.92 120.40 116.47 2o5j s VAL 87 Ca -0.02 -1.33 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 2o5j s VAL 87 Cb -0.19 -3.41 0.09 0.00 0.56 0.00 0.00 36.38 33.42 2o5j s VAL 87 CO 0.01 -0.30 0.13 -0.60 -0.31 0.00 0.00 175.10 174.02 2o5j s ARG 88 N -3.90 0.15 0.74 4.82 3.52 0.17 -4.77 118.95 119.68 2o5j s ARG 88 Ca 0.35 -0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 55.57 2o5j s ARG 88 Cb -0.08 -1.40 0.06 0.00 -1.56 0.00 0.00 34.95 31.97 2o5j s ARG 88 CO 0.26 -0.86 1.09 -0.06 -0.81 0.00 0.00 175.30 174.92 2o5j s PHE 89 N 2.14 3.04 -0.65 5.12 0.08 -1.26 -2.29 117.98 124.16 2o5j s PHE 89 Ca 0.06 0.70 0.10 0.00 0.12 0.00 0.00 56.93 57.92 2o5j s PHE 89 Cb -0.16 -3.26 -0.08 0.00 -0.57 0.00 0.00 43.02 38.95 2o5j s PHE 89 CO -0.24 -1.48 0.51 1.28 -0.10 0.00 0.00 175.22 175.19 2o5j n LEU 90 N -3.08 0.74 -3.55 -0.37 4.32 -1.05 -4.96 117.00 109.04 2o5j n LEU 90 Ca 0.07 -0.58 -0.17 0.00 -0.02 0.00 0.00 56.01 55.31 2o5j n LEU 90 Cb 0.60 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.33 2o5j n LEU 90 CO 0.55 0.16 0.39 0.21 -1.22 0.00 0.00 177.39 177.49 2o5j s ASN 91 N -1.80 -0.61 0.48 -1.43 2.47 -1.26 -5.03 114.94 107.75 2o5j s ASN 91 Ca 0.06 0.68 0.33 0.00 0.42 0.00 0.00 52.86 54.35 2o5j s ASN 91 Cb 0.08 0.55 1.46 0.00 -1.45 0.00 0.00 41.25 41.89 2o5j s ASN 91 CO 0.38 -0.57 1.68 -0.65 -3.72 0.00 0.00 177.10 174.21 2o5j h PRO 92 N 3.20 0.10 -0.54 0.43 0.11 -2.02 0.15 132.00 133.42 2o5j h PRO 92 Ca -0.27 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.99 2o5j h PRO 92 Cb 1.15 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2o5j h PRO 92 CO 0.38 0.07 0.64 0.77 -0.21 0.00 0.00 178.00 179.64 2o5j h SER 93 N 0.10 0.00 -3.80 -2.05 0.02 -2.04 -3.21 113.55 102.57 2o5j h SER 93 Ca 0.74 0.00 -0.79 0.00 -0.84 0.00 0.00 61.79 60.90 2o5j h SER 93 Cb 2.55 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 64.83 2o5j h SER 93 CO -0.22 0.00 0.13 -0.76 -1.14 0.00 0.00 176.83 174.84 2o5j s LEU 94 N -7.06 6.73 -0.18 5.07 1.02 0.54 -4.80 118.68 120.00 2o5j s LEU 94 Ca -0.04 -2.78 -0.03 0.00 0.02 0.00 0.00 54.13 51.31 2o5j s LEU 94 Cb 0.15 -2.21 -0.22 0.00 0.02 0.00 0.00 46.19 43.93 2o5j s LEU 94 CO 0.51 -0.55 0.09 0.00 0.02 0.00 0.00 176.35 176.42 2o5j n GLN 95 N 3.86 0.71 -3.65 1.70 6.02 -1.21 -4.85 117.38 119.96 2o5j n GLN 95 Ca 0.15 0.21 -0.27 0.00 -0.01 0.00 0.00 57.00 57.08 2o5j n GLN 95 Cb 0.46 -1.62 -0.17 0.00 1.02 0.00 0.00 30.24 29.93 2o5j n GLN 95 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2o5j s THR 96 N -2.54 0.12 -0.16 5.09 -1.32 -1.26 -3.19 115.64 112.38 2o5j s THR 96 Ca -0.28 -0.35 -0.01 0.00 -1.21 0.00 0.00 61.69 59.84 2o5j s THR 96 Cb 0.08 -0.76 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2o5j s THR 96 CO 0.69 -0.30 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.99 2o5j s VAL 97 N 2.04 2.98 -0.42 5.08 1.01 -0.59 -4.95 120.40 125.56 2o5j s VAL 97 Ca 0.02 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 2o5j s VAL 97 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2o5j s VAL 97 CO -0.11 0.50 0.33 -0.89 0.00 0.00 0.00 175.10 174.93 2o5j s THR 98 N 0.77 5.23 0.06 3.92 2.01 -1.26 -0.64 115.64 125.72 2o5j s THR 98 Ca -0.05 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 2o5j s THR 98 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2o5j s THR 98 CO 0.01 -0.34 0.99 -0.76 -0.69 0.00 0.00 174.62 173.83 2o5j s LEU 99 N 1.75 4.43 -0.03 4.42 1.43 -0.39 -4.90 118.68 125.38 2o5j s LEU 99 Ca 0.06 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2o5j s LEU 99 Cb -0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2o5j s LEU 99 CO 0.10 -0.20 -0.12 -0.22 0.23 0.00 0.00 176.35 176.15 2o5j s LEU 100 N 0.55 2.87 -0.23 1.79 2.96 -1.26 -1.68 118.68 123.69 2o5j s LEU 100 Ca 0.50 -0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.01 2o5j s LEU 100 Cb -0.23 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 44.90 2o5j s LEU 100 CO 0.29 0.32 0.62 -0.22 -1.32 0.00 0.00 176.35 176.04 2o5j s LEU 101 N -0.99 -0.36 -0.15 -0.68 0.20 -1.12 -1.31 118.68 114.28 2o5j s LEU 101 Ca 0.13 1.23 -0.06 0.00 0.69 0.00 0.00 54.13 56.11 2o5j s LEU 101 Cb -0.11 2.12 0.07 0.00 -0.43 0.00 0.00 46.19 47.84 2o5j s LEU 101 CO 0.03 -0.22 0.34 -1.59 -0.29 0.00 0.00 176.35 174.61 2o5j s LYS 102 N 0.29 0.26 0.03 1.98 0.00 -1.26 -1.70 119.74 119.34 2o5j s LYS 102 Ca -0.00 0.81 0.03 0.00 0.00 0.00 0.00 55.97 56.80 2o5j s LYS 102 Cb -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 37.83 37.83 2o5j s LYS 102 CO 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 175.35 175.04 2o5j s ALA 103 N 2.08 0.70 0.16 0.59 0.00 -0.50 -5.00 121.76 119.79 2o5j s ALA 103 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2o5j s ALA 103 Cb -0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2o5j s ALA 103 CO -0.11 0.08 -0.12 -1.21 0.00 0.00 0.00 175.76 174.40 2o5j s GLU 104 N -1.11 1.12 2.67 0.00 2.02 -1.26 -2.64 118.70 119.49 2o5j s GLU 104 Ca -0.04 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.51 2o5j s GLU 104 Cb -0.07 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.36 2o5j s GLU 104 CO 0.01 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2o5j n GLY 105 N -0.10 -0.68 1.47 -1.39 0.00 -0.89 -4.31 105.19 99.29 2o5j n GLY 105 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2o5j n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2o5j n PRO 106 N 0.00 0.52 -4.31 1.61 -0.02 -0.89 -4.02 135.00 127.89 2o5j n PRO 106 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 2o5j n PRO 106 Cb 0.00 -1.24 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 2o5j n PRO 106 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2o5j s LYS 107 N 0.78 2.05 -0.15 -0.52 2.36 -1.23 -4.93 119.74 118.11 2o5j s LYS 107 Ca 0.00 -1.34 -0.19 0.00 -2.55 0.00 0.00 55.97 51.89 2o5j s LYS 107 Cb 0.00 -2.11 -0.04 0.00 -1.05 0.00 0.00 37.83 34.63 2o5j s LYS 107 CO 0.00 0.41 0.52 -1.21 1.55 0.00 0.00 175.35 176.62 2o5j s GLU 108 N -3.02 4.29 -0.46 4.03 2.02 -1.26 -2.25 118.70 122.05 2o5j s GLU 108 Ca 0.26 0.49 -0.22 0.00 0.02 0.00 0.00 54.97 55.51 2o5j s GLU 108 Cb -0.08 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.69 2o5j s GLU 108 CO 0.16 0.02 0.75 0.08 0.02 0.00 0.00 175.26 176.29 2o5j s VAL 109 N 1.06 4.69 0.42 2.63 1.01 -0.04 -4.98 120.40 125.18 2o5j s VAL 109 Ca 0.27 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.60 2o5j s VAL 109 Cb -0.15 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2o5j s VAL 109 CO 0.11 -0.73 0.35 -0.54 0.00 0.00 0.00 175.10 174.29 2o5j s LYS 110 N 3.19 2.48 0.43 2.72 1.02 -1.26 -0.44 119.74 127.87 2o5j s LYS 110 Ca 0.27 -1.60 0.30 0.00 0.02 0.00 0.00 55.97 54.96 2o5j s LYS 110 Cb -0.13 -2.31 1.24 0.00 -0.52 0.00 0.00 37.83 36.11 2o5j s LYS 110 CO 0.21 -0.20 1.88 0.00 -0.92 0.00 0.00 175.35 176.32 2o5j h ALA 111 N 1.07 1.00 0.00 5.17 0.00 -0.48 -2.30 119.26 123.73 2o5j h ALA 111 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2o5j h ALA 111 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2o5j h ALA 111 CO 0.59 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2o5j h ARG 112 N 0.00 0.00 0.00 0.00 3.08 -1.69 -3.14 114.38 112.62 2o5j h ARG 112 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2o5j h ARG 112 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2o5j h ARG 112 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 178.46 2o5j h ASP 113 N 0.00 0.00 -3.27 7.04 5.19 -1.73 -3.44 116.42 120.21 2o5j h ASP 113 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 2o5j h ASP 113 Cb 0.60 0.00 0.07 0.00 0.18 0.00 0.00 39.33 40.18 2o5j h ASP 113 CO 0.00 0.00 0.86 -0.36 -3.12 0.00 0.00 179.24 176.62 2o5j s PHE 114 N -3.42 2.86 0.00 4.55 0.40 -1.19 -4.75 117.98 116.43 2o5j s PHE 114 Ca 0.03 0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 56.88 2o5j s PHE 114 Cb 0.09 -3.99 -0.08 0.00 0.51 0.00 0.00 43.02 39.55 2o5j s PHE 114 CO 0.39 -3.35 1.88 -1.17 0.70 0.00 0.00 175.22 173.67 2o5j s LEU 115 N -0.26 4.38 0.31 -0.37 2.96 -0.43 -4.91 118.68 120.36 2o5j s LEU 115 Ca 0.63 2.52 -0.29 0.00 -0.22 0.00 0.00 54.13 56.77 2o5j s LEU 115 Cb -0.46 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.57 2o5j s LEU 115 CO 0.44 -1.04 1.30 -2.65 -1.32 0.00 0.00 176.35 173.09 2o5j n PRO 116 N 7.45 2.06 -4.71 0.98 -0.02 -1.26 -4.62 135.00 134.88 2o5j n PRO 116 Ca 0.19 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 62.07 2o5j n PRO 116 Cb 0.42 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.45 2o5j n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o5j s VAL 117 N -0.83 3.35 0.02 -1.45 1.01 -1.26 -5.06 120.40 116.17 2o5j s VAL 117 Ca 0.59 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2o5j s VAL 117 Cb -0.59 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2o5j s VAL 117 CO 0.59 0.55 0.74 0.00 0.00 0.00 0.00 175.10 176.98 2o5j n ALA 118 N 2.90 -0.09 1.08 5.51 0.00 -1.26 -1.54 120.51 127.12 2o5j n ALA 118 Ca -0.18 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2o5j n ALA 118 Cb 0.53 0.24 0.34 0.00 0.00 0.00 0.00 19.45 20.56 2o5j n ALA 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2o5j n ASP 119 N -3.12 2.17 -4.65 0.00 4.64 -1.26 -4.91 116.55 109.42 2o5j n ASP 119 Ca 0.00 -1.76 -0.31 0.00 -1.38 0.00 0.00 54.79 51.35 2o5j n ASP 119 Cb 0.04 -0.09 -0.09 0.00 -1.04 0.00 0.00 41.12 39.93 2o5j n ASP 119 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2o5j s VAL 120 N -1.82 3.83 0.06 5.18 0.11 -0.59 -2.54 120.40 124.63 2o5j s VAL 120 Ca 0.34 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.49 2o5j s VAL 120 Cb 0.20 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2o5j s VAL 120 CO 0.30 0.21 -0.14 -1.83 -3.33 0.00 0.00 175.10 170.31 2o5j s GLU 121 N -2.01 0.83 -0.37 1.54 -1.05 -0.97 -4.41 118.70 112.25 2o5j s GLU 121 Ca 0.22 -0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 54.16 2o5j s GLU 121 Cb -0.11 -0.83 0.09 0.00 -0.44 0.00 0.00 34.13 32.85 2o5j s GLU 121 CO 0.14 0.19 0.13 0.42 0.95 0.00 0.00 175.26 177.09 2o5j s ILE 122 N -1.14 3.00 -2.00 1.83 1.01 -1.26 -0.65 121.20 121.99 2o5j s ILE 122 Ca -0.01 -1.97 0.30 0.00 0.00 0.00 0.00 60.65 58.97 2o5j s ILE 122 Cb -0.09 -3.01 0.68 0.00 0.01 0.00 0.00 42.46 40.05 2o5j s ILE 122 CO 0.02 -0.54 2.01 0.23 0.00 0.00 0.00 174.94 176.65 2o5j n MET 123 N 4.53 1.05 -3.29 2.79 2.81 -1.15 -4.18 117.12 119.68 2o5j n MET 123 Ca -0.03 -0.30 -0.28 0.00 -1.81 0.00 0.00 57.70 55.28 2o5j n MET 123 Cb 0.42 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 2o5j n MET 123 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2o5j n ASN 124 N -0.72 4.10 0.28 7.83 5.15 -1.24 -4.95 115.26 125.71 2o5j n ASN 124 Ca 0.20 -3.50 -0.11 0.00 -0.60 0.00 0.00 54.58 50.56 2o5j n ASN 124 Cb 0.22 -0.68 -0.05 0.00 -0.53 0.00 0.00 39.78 38.74 2o5j n ASN 124 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2o5j h PRO 125 N 3.97 -0.70 0.00 1.20 0.14 -1.90 -3.29 132.00 131.43 2o5j h PRO 125 Ca 0.19 0.05 0.00 0.00 0.14 0.00 0.00 66.00 66.38 2o5j h PRO 125 Cb 0.62 0.16 0.00 0.00 0.14 0.00 0.00 31.00 31.92 2o5j h PRO 125 CO 0.86 -0.46 0.00 -3.47 0.14 0.00 0.00 178.00 175.07 2o5j n ASP 126 N -4.39 0.00 -4.69 1.44 4.64 -1.26 -0.61 116.55 111.68 2o5j n ASP 126 Ca -0.09 -0.98 -0.44 0.00 -1.38 0.00 0.00 54.79 51.90 2o5j n ASP 126 Cb 0.28 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.33 2o5j n ASP 126 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2o5j n LEU 127 N -0.75 3.45 -4.61 -2.67 -0.00 -1.24 -4.79 117.00 106.39 2o5j n LEU 127 Ca 0.08 1.10 -0.43 0.00 -0.00 0.00 0.00 56.01 56.75 2o5j n LEU 127 Cb 0.04 -1.48 -0.02 0.00 -0.00 0.00 0.00 43.42 41.95 2o5j n LEU 127 CO 0.06 -0.16 0.97 -2.28 -0.00 0.00 0.00 177.39 175.97 2o5j s HIS 128 N 0.69 2.96 -0.18 1.47 5.65 -1.26 -2.39 115.29 122.24 2o5j s HIS 128 Ca 0.74 0.88 -0.20 0.00 0.25 0.00 0.00 55.06 56.73 2o5j s HIS 128 Cb -0.61 -4.08 -0.22 0.00 -1.18 0.00 0.00 32.58 26.49 2o5j s HIS 128 CO 0.40 -1.04 0.33 0.82 -0.65 0.00 0.00 174.74 174.60 2o5j h ILE 129 N 6.01 0.99 -2.55 0.89 1.08 -1.08 -3.48 117.51 119.37 2o5j h ILE 129 Ca -0.22 -2.24 0.13 0.00 -0.39 0.00 0.00 64.86 62.14 2o5j h ILE 129 Cb 1.06 2.43 -0.08 0.00 -3.07 0.00 0.00 36.82 37.16 2o5j h ILE 129 CO 1.08 0.46 0.40 0.00 -0.69 0.00 0.00 178.15 179.39 2o5j s ALA 130 N -2.38 -1.56 -0.26 1.87 0.00 -1.07 -4.77 121.76 113.59 2o5j s ALA 130 Ca -0.26 0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.87 2o5j s ALA 130 Cb 0.05 0.69 0.06 0.00 0.00 0.00 0.00 23.12 23.91 2o5j s ALA 130 CO 0.64 -0.98 -0.11 0.99 0.00 0.00 0.00 175.76 176.30 2o5j s THR 131 N -3.46 2.17 -0.13 0.00 2.01 -1.26 -0.86 115.64 114.10 2o5j s THR 131 Ca 0.10 -1.60 -0.09 0.00 0.31 0.00 0.00 61.69 60.41 2o5j s THR 131 Cb -0.02 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2o5j s THR 131 CO 0.01 0.00 0.17 -0.76 -0.69 0.00 0.00 174.62 173.35 2o5j s LEU 132 N 1.11 4.34 0.00 4.42 1.02 -0.96 -2.95 118.68 125.67 2o5j s LEU 132 Ca -0.08 0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.52 2o5j s LEU 132 Cb -0.20 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 43.88 2o5j s LEU 132 CO -0.05 0.33 0.00 1.21 0.02 0.00 0.00 176.35 177.85 2o5j n GLU 133 N 2.44 0.00 -3.88 1.70 2.13 -0.02 -3.49 120.64 119.52 2o5j n GLU 133 Ca -0.18 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.53 2o5j n GLU 133 Cb 0.54 -0.01 -0.11 0.00 0.27 0.00 0.00 31.44 32.13 2o5j n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2o5j s GLU 134 N 0.00 0.29 -1.58 5.31 0.41 -1.26 -2.08 118.70 119.78 2o5j s GLU 134 Ca 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 2o5j s GLU 134 Cb 0.00 0.12 0.00 0.00 -1.78 0.00 0.00 34.13 32.47 2o5j s GLU 134 CO 0.00 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.12 2o5j n GLY 135 N 2.17 0.22 3.51 -1.39 0.00 -1.26 -4.67 105.19 103.78 2o5j n GLY 135 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2o5j n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o5j s GLY 136 N -2.18 1.25 -0.41 -0.02 0.00 -1.26 -4.77 107.32 99.92 2o5j s GLY 136 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 44.72 43.17 2o5j s GLY 136 CO 0.00 2.24 0.30 0.50 0.00 0.00 0.00 173.10 176.13 2o5j s ARG 137 N 4.49 2.92 -0.26 2.90 3.00 -1.26 -2.10 118.95 128.64 2o5j s ARG 137 Ca 0.30 -1.12 0.01 0.00 0.00 0.00 0.00 55.73 54.92 2o5j s ARG 137 Cb -0.12 -3.95 0.07 0.00 0.00 0.00 0.00 34.95 30.95 2o5j s ARG 137 CO 0.16 -0.80 -0.01 -1.17 0.00 0.00 0.00 175.30 173.48 2o5j s LEU 138 N 1.63 2.77 -0.24 2.53 2.96 -1.08 -5.00 118.68 122.25 2o5j s LEU 138 Ca 0.04 -1.37 -0.00 0.00 -0.22 0.00 0.00 54.13 52.58 2o5j s LEU 138 Cb -0.20 -1.17 0.07 0.00 0.50 0.00 0.00 46.19 45.38 2o5j s LEU 138 CO 0.08 -0.28 -0.00 0.20 -1.32 0.00 0.00 176.35 175.03 2o5j s ASN 139 N 1.38 3.72 0.21 3.68 0.01 -1.26 -1.42 114.94 121.26 2o5j s ASN 139 Ca -0.01 -1.23 0.02 0.00 -0.71 0.00 0.00 52.86 50.93 2o5j s ASN 139 Cb -0.19 -1.02 -0.05 0.00 0.41 0.00 0.00 41.25 40.40 2o5j s ASN 139 CO -0.09 -0.29 0.04 0.00 -1.51 0.00 0.00 177.10 175.25 2o5j s MET 140 N 1.51 1.25 -0.19 -0.60 0.23 -0.69 -1.75 119.30 119.05 2o5j s MET 140 Ca -0.01 -1.64 -0.02 0.00 -1.03 0.00 0.00 55.69 52.99 2o5j s MET 140 Cb -0.18 -0.28 0.06 0.00 -1.53 0.00 0.00 34.83 32.89 2o5j s MET 140 CO -0.10 -0.20 0.02 -1.21 -2.03 0.00 0.00 175.02 171.51 2o5j s GLU 141 N -3.96 0.82 -0.29 3.16 8.01 -0.67 -2.78 118.70 122.99 2o5j s GLU 141 Ca 0.30 -0.48 -0.07 0.00 0.01 0.00 0.00 54.97 54.73 2o5j s GLU 141 Cb 0.07 -2.12 0.00 0.00 -4.31 0.00 0.00 34.13 27.77 2o5j s GLU 141 CO 0.08 -0.61 0.07 0.14 0.01 0.00 0.00 175.26 174.96 2o5j s VAL 142 N 1.79 3.97 0.58 2.63 -7.23 -0.67 -1.09 120.40 120.38 2o5j s VAL 142 Ca -0.01 -0.64 -0.17 0.00 -1.81 0.00 0.00 61.98 59.35 2o5j s VAL 142 Cb -0.17 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2o5j s VAL 142 CO -0.08 0.12 1.08 -0.60 -0.31 0.00 0.00 175.10 175.31 2o5j s ARG 143 N 1.51 3.30 -0.02 4.82 6.06 0.25 -1.26 118.95 133.60 2o5j s ARG 143 Ca 0.03 1.36 -0.01 0.00 -2.50 0.00 0.00 55.73 54.61 2o5j s ARG 143 Cb -0.17 -2.02 0.02 0.00 0.06 0.00 0.00 34.95 32.84 2o5j s ARG 143 CO 0.02 -0.85 0.04 0.08 -2.50 0.00 0.00 175.30 172.10 2o5j s VAL 144 N -2.20 -0.03 0.27 7.11 1.01 0.18 -2.29 120.40 124.45 2o5j s VAL 144 Ca 0.67 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2o5j s VAL 144 Cb -0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2o5j s VAL 144 CO 0.33 0.05 0.07 -1.81 0.00 0.00 0.00 175.10 173.74 2o5j s ASP 145 N 0.65 1.60 -0.33 3.32 1.11 -0.96 -1.54 116.67 120.52 2o5j s ASP 145 Ca -0.05 -1.36 -0.06 0.00 0.18 0.00 0.00 52.55 51.25 2o5j s ASP 145 Cb -0.08 0.07 0.03 0.00 1.07 0.00 0.00 42.92 44.02 2o5j s ASP 145 CO -0.02 -0.67 0.09 -0.60 1.18 0.00 0.00 175.17 175.15 2o5j s ARG 146 N -3.97 2.71 0.00 8.23 3.52 -1.19 -2.77 118.95 125.47 2o5j s ARG 146 Ca 0.36 -1.12 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2o5j s ARG 146 Cb 0.08 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2o5j s ARG 146 CO 0.14 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 2o5j n GLY 147 N 4.81 4.30 2.92 8.12 0.00 -1.01 -4.98 105.19 119.35 2o5j n GLY 147 Ca -0.13 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 2o5j n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o5j s VAL 148 N -1.62 0.01 0.00 1.61 1.01 -1.26 -1.30 120.40 118.84 2o5j s VAL 148 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2o5j s VAL 148 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.30 2o5j s VAL 148 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2o5j n GLY 149 N 2.96 -0.21 3.47 4.51 0.00 -1.26 -4.79 105.19 109.87 2o5j n GLY 149 Ca -0.13 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2o5j n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2o5j s TYR 150 N 0.00 3.00 -0.29 1.61 5.04 -1.26 -1.71 117.35 123.74 2o5j s TYR 150 Ca 0.00 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 2o5j s TYR 150 Cb 0.00 -1.97 0.09 0.00 0.35 0.00 0.00 41.96 40.43 2o5j s TYR 150 CO 0.00 -0.11 0.04 0.08 -1.34 0.00 0.00 175.55 174.22 2o5j s VAL 151 N 0.50 1.38 0.45 3.14 1.01 -0.85 -4.98 120.40 121.05 2o5j s VAL 151 Ca -0.04 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.18 2o5j s VAL 151 Cb -0.14 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 2o5j s VAL 151 CO 0.03 -0.47 1.00 -2.65 0.00 0.00 0.00 175.10 173.00 2o5j n PRO 152 N 4.66 1.28 0.29 2.72 -0.02 -1.26 -0.73 135.00 141.95 2o5j n PRO 152 Ca -0.04 0.46 0.19 0.00 -2.02 0.00 0.00 63.50 62.09 2o5j n PRO 152 Cb 0.43 -2.06 0.98 0.00 -0.02 0.00 0.00 33.50 32.83 2o5j n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2o5j h ALA 153 N 1.37 1.39 -0.04 3.55 0.00 -1.91 -0.32 119.26 123.29 2o5j h ALA 153 Ca -0.45 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 2o5j h ALA 153 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2o5j h ALA 153 CO 0.56 -0.16 -0.82 0.93 0.00 0.00 0.00 179.25 179.76 2o5j h GLU 154 N 0.00 0.39 -0.17 0.00 3.07 -1.93 -2.68 114.58 113.26 2o5j h GLU 154 Ca 0.03 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.36 58.48 2o5j h GLU 154 Cb 0.28 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2o5j h GLU 154 CO -0.00 1.02 -0.06 -0.22 -1.40 0.00 0.00 179.01 178.35 2o5j h LYS 155 N 0.25 0.35 0.06 2.33 3.64 -1.38 -3.37 116.57 118.45 2o5j h LYS 155 Ca -0.05 -0.14 -0.28 0.00 -1.27 0.00 0.00 60.65 58.91 2o5j h LYS 155 Cb 1.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 2o5j h LYS 155 CO 0.14 0.63 -1.53 1.12 -2.27 0.00 0.00 179.45 177.55 2o5j h HIS 156 N 0.04 0.24 -5.77 1.91 2.07 -1.67 -3.50 115.15 108.47 2o5j h HIS 156 Ca 0.04 -0.17 -0.15 0.00 -2.85 0.00 0.00 60.37 57.24 2o5j h HIS 156 Cb 0.52 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.49 2o5j h HIS 156 CO 0.06 1.60 -0.75 0.41 -3.07 0.00 0.00 177.93 176.18 2o5j n GLY 157 N 1.68 -0.79 3.78 6.13 0.00 -1.01 -4.95 105.19 110.03 2o5j n GLY 157 Ca -0.31 1.19 -0.39 0.00 0.00 0.00 0.00 46.02 46.51 2o5j n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o5j s ILE 158 N -2.23 4.39 -0.42 -0.61 -1.09 -1.26 -5.04 121.20 114.95 2o5j s ILE 158 Ca 0.28 1.65 0.04 0.00 -2.23 0.00 0.00 60.65 60.40 2o5j s ILE 158 Cb -0.06 -4.10 0.17 0.00 -1.58 0.00 0.00 42.46 36.90 2o5j s ILE 158 CO 0.81 0.48 0.35 0.29 -1.23 0.00 0.00 174.94 175.64 2o5j n LYS 159 N 1.47 0.23 0.04 2.79 4.76 -1.26 -4.46 118.16 121.74 2o5j n LYS 159 Ca -0.05 -3.20 -0.12 0.00 -2.87 0.00 0.00 58.31 52.07 2o5j n LYS 159 Cb 0.49 -1.67 -0.09 0.00 -1.84 0.00 0.00 35.03 31.92 2o5j n LYS 159 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2o5j h ASP 160 N 5.59 -0.15 -3.64 4.39 3.45 -1.96 -3.44 116.42 120.66 2o5j h ASP 160 Ca 0.26 -0.40 -0.67 0.00 0.43 0.00 0.00 57.03 56.66 2o5j h ASP 160 Cb 0.91 0.04 -0.17 0.00 -0.56 0.00 0.00 39.33 39.54 2o5j h ASP 160 CO 0.38 0.38 -0.75 -0.60 -1.57 0.00 0.00 179.24 177.08 2o5j s ARG 161 N -3.81 2.19 0.36 3.56 3.52 -1.26 -5.03 118.95 118.48 2o5j s ARG 161 Ca -0.14 -0.96 0.06 0.00 -0.13 0.00 0.00 55.73 54.56 2o5j s ARG 161 Cb 0.01 -2.32 0.75 0.00 -1.56 0.00 0.00 34.95 31.84 2o5j s ARG 161 CO 0.56 0.53 1.95 -0.84 -0.81 0.00 0.00 175.30 176.69 2o5j h ILE 162 N 3.47 1.01 -0.21 4.11 3.07 -1.98 -2.11 117.51 124.87 2o5j h ILE 162 Ca -0.49 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2o5j h ILE 162 Cb 1.16 0.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2o5j h ILE 162 CO 0.51 0.14 0.00 0.59 -1.05 0.00 0.00 178.15 178.34 2o5j n ASN 163 N -4.48 2.50 -4.74 2.16 3.02 -1.26 -4.94 115.26 107.52 2o5j n ASN 163 Ca 0.11 -1.84 -0.31 0.00 -0.03 0.00 0.00 54.58 52.51 2o5j n ASN 163 Cb 0.24 -0.13 0.12 0.00 -0.61 0.00 0.00 39.78 39.40 2o5j n ASN 163 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o5j s ALA 164 N -1.74 1.99 -0.12 5.41 0.00 -0.80 -4.64 121.76 121.87 2o5j s ALA 164 Ca 0.35 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2o5j s ALA 164 Cb 0.20 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 20.00 2o5j s ALA 164 CO 0.30 -2.10 -0.20 0.96 0.00 0.00 0.00 175.76 174.71 2o5j s ILE 165 N -2.81 1.90 0.78 0.00 -4.36 -0.09 -4.96 121.20 111.65 2o5j s ILE 165 Ca 0.63 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 2o5j s ILE 165 Cb -0.19 -1.68 0.06 0.00 1.25 0.00 0.00 42.46 41.90 2o5j s ILE 165 CO 0.57 0.52 1.13 -2.84 0.24 0.00 0.00 174.94 174.56 2o5j s PRO 166 N 0.78 2.03 0.06 0.37 0.02 -1.26 -2.03 135.00 134.96 2o5j s PRO 166 Ca -0.09 1.42 0.04 0.00 0.02 0.00 0.00 61.00 62.40 2o5j s PRO 166 Cb -0.16 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2o5j s PRO 166 CO 0.00 -1.85 -0.13 0.08 -0.33 0.00 0.00 177.00 174.77 2o5j s VAL 167 N -2.55 0.99 0.27 3.83 1.01 -0.74 -4.88 120.40 118.34 2o5j s VAL 167 Ca 0.66 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 2o5j s VAL 167 Cb -0.22 -0.96 -0.12 0.00 0.00 0.00 0.00 36.38 35.09 2o5j s VAL 167 CO 0.51 -0.19 1.65 -1.81 0.00 0.00 0.00 175.10 175.26 2o5j s ASP 168 N -1.53 6.36 -0.22 3.32 1.01 -1.26 -4.31 116.67 120.04 2o5j s ASP 168 Ca -0.02 2.94 -0.21 0.00 0.71 0.00 0.00 52.55 55.97 2o5j s ASP 168 Cb -0.09 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 2o5j s ASP 168 CO 0.02 -0.95 0.65 0.00 0.21 0.00 0.00 175.17 175.10 2o5j s ALA 169 N 0.40 3.57 -0.50 5.23 0.00 0.09 -4.78 121.76 125.77 2o5j s ALA 169 Ca 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2o5j s ALA 169 Cb -0.49 -3.02 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2o5j s ALA 169 CO 0.43 -0.65 0.29 0.14 0.00 0.00 0.00 175.76 175.96 2o5j s VAL 170 N 2.14 3.27 -2.25 0.00 -7.23 -1.26 -2.01 120.40 113.07 2o5j s VAL 170 Ca 0.29 -2.60 0.23 0.00 -1.81 0.00 0.00 61.98 58.08 2o5j s VAL 170 Cb -0.16 -3.21 0.03 0.00 0.56 0.00 0.00 36.38 33.61 2o5j s VAL 170 CO 0.10 -0.77 1.13 0.49 -0.31 0.00 0.00 175.10 175.73 2o5j n PHE 171 N 3.93 0.00 -2.97 2.82 3.72 -0.70 -4.23 117.46 120.04 2o5j n PHE 171 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 2o5j n PHE 171 Cb 0.39 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 2o5j n PHE 171 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2o5j s SER 172 N -2.38 6.64 0.00 4.37 0.15 -1.26 -2.48 113.70 118.75 2o5j s SER 172 Ca 0.21 0.66 0.14 0.00 0.70 0.00 0.00 55.95 57.65 2o5j s SER 172 Cb 0.19 -2.39 0.82 0.00 -1.71 0.00 0.00 66.02 62.92 2o5j s SER 172 CO 0.51 -0.57 1.27 -2.65 1.20 0.00 0.00 173.24 173.00 2o5j n PRO 173 N 6.12 0.59 -4.99 5.44 -0.02 -1.26 -4.70 135.00 136.17 2o5j n PRO 173 Ca 0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.19 2o5j n PRO 173 Cb 0.48 -1.36 -0.15 0.00 -0.02 0.00 0.00 33.50 32.45 2o5j n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o5j s VAL 174 N -2.00 2.69 -0.23 -1.45 1.01 -1.26 -0.02 120.40 119.13 2o5j s VAL 174 Ca 0.21 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2o5j s VAL 174 Cb 0.09 -2.05 -0.17 0.00 0.00 0.00 0.00 36.38 34.25 2o5j s VAL 174 CO 0.16 0.56 -0.00 -1.14 0.00 0.00 0.00 175.10 174.68 2o5j n ARG 175 N 2.95 0.59 -3.73 2.72 0.63 -1.09 -4.93 116.66 113.79 2o5j n ARG 175 Ca -0.18 0.43 -0.14 0.00 -0.92 0.00 0.00 57.85 57.05 2o5j n ARG 175 Cb 0.52 -1.65 -0.08 0.00 0.45 0.00 0.00 32.46 31.70 2o5j n ARG 175 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2o5j s ARG 176 N -2.43 0.70 0.07 -0.14 1.70 -1.26 -5.04 118.95 112.55 2o5j s ARG 176 Ca -0.32 -0.08 0.09 0.00 -0.47 0.00 0.00 55.73 54.95 2o5j s ARG 176 Cb 0.09 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2o5j s ARG 176 CO 0.56 -0.19 -0.25 0.08 -1.08 0.00 0.00 175.30 174.42 2o5j s VAL 177 N -1.20 2.05 -0.16 4.99 1.01 -1.26 -1.17 120.40 124.66 2o5j s VAL 177 Ca -0.12 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 2o5j s VAL 177 Cb -0.04 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.60 2o5j s VAL 177 CO 0.05 0.23 0.39 0.00 0.00 0.00 0.00 175.10 175.77 2o5j s ALA 178 N -0.90 -0.99 0.05 5.51 0.00 -0.31 -4.99 121.76 120.14 2o5j s ALA 178 Ca 0.11 1.34 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2o5j s ALA 178 Cb -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2o5j s ALA 178 CO 0.03 -0.23 -0.13 -0.59 0.00 0.00 0.00 175.76 174.84 2o5j s PHE 179 N 0.96 1.09 -0.03 0.00 -0.12 -1.26 0.94 117.98 119.56 2o5j s PHE 179 Ca -0.06 -0.42 0.03 0.00 -0.05 0.00 0.00 56.93 56.44 2o5j s PHE 179 Cb -0.06 -0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 41.70 2o5j s PHE 179 CO -0.08 0.02 -0.12 -0.65 -0.05 0.00 0.00 175.22 174.35 2o5j s GLN 180 N -1.45 1.20 -0.56 1.99 -1.52 -0.81 -5.00 119.66 113.51 2o5j s GLN 180 Ca -0.02 -0.41 0.03 0.00 -1.95 0.00 0.00 55.36 53.01 2o5j s GLN 180 Cb -0.09 -1.09 0.14 0.00 -0.22 0.00 0.00 33.01 31.75 2o5j s GLN 180 CO 0.01 0.18 0.32 0.08 -0.25 0.00 0.00 175.29 175.63 2o5j s VAL 181 N 0.06 2.81 0.12 1.09 1.01 -1.25 -2.11 120.40 122.12 2o5j s VAL 181 Ca -0.02 -3.38 -0.12 0.00 0.00 0.00 0.00 61.98 58.46 2o5j s VAL 181 Cb -0.09 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2o5j s VAL 181 CO 0.01 -0.84 0.48 -1.61 0.00 0.00 0.00 175.10 173.14 2o5j s GLU 182 N -0.40 3.87 0.40 2.72 2.02 -0.91 -4.76 118.70 121.63 2o5j s GLU 182 Ca 0.18 0.33 -0.27 0.00 0.02 0.00 0.00 54.97 55.24 2o5j s GLU 182 Cb -0.23 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 2o5j s GLU 182 CO -0.02 0.51 1.35 -0.51 0.02 0.00 0.00 175.26 176.61 2o5j s ASP 183 N -1.77 6.30 0.11 -0.19 1.01 -1.26 -2.20 116.67 118.66 2o5j s ASP 183 Ca 0.36 2.77 0.08 0.00 0.71 0.00 0.00 52.55 56.47 2o5j s ASP 183 Cb -0.14 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 2o5j s ASP 183 CO 0.19 -0.87 -0.20 0.28 0.21 0.00 0.00 175.17 174.78 2o5j s THR 184 N -1.21 1.67 -0.23 -1.27 -1.32 -1.15 -4.89 115.64 107.24 2o5j s THR 184 Ca 0.56 -1.59 -0.08 0.00 -1.21 0.00 0.00 61.69 59.37 2o5j s THR 184 Cb -0.41 -1.56 -0.03 0.00 -1.51 0.00 0.00 72.50 68.99 2o5j s THR 184 CO 0.53 -0.12 0.08 0.00 -2.21 0.00 0.00 174.62 172.89 2o5j s ARG 185 N -2.06 3.77 -0.28 7.08 1.04 -1.26 -4.15 118.95 123.09 2o5j s ARG 185 Ca 0.07 -0.43 -0.01 0.00 -1.04 0.00 0.00 55.73 54.32 2o5j s ARG 185 Cb -0.09 -3.31 0.04 0.00 -2.04 0.00 0.00 34.95 29.55 2o5j s ARG 185 CO 0.04 -0.05 -0.04 -1.17 -0.04 0.00 0.00 175.30 174.05 2o5j s LEU 186 N 1.26 3.59 0.00 -1.89 2.96 -1.26 -5.04 118.68 118.31 2o5j s LEU 186 Ca 0.05 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.82 2o5j s LEU 186 Cb -0.15 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2o5j s LEU 186 CO 0.04 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 2o5j n GLY 187 N 4.62 0.00 0.12 7.98 0.00 -1.26 -2.07 105.19 114.57 2o5j n GLY 187 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2o5j n GLY 187 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2o5j h GLN 188 N 0.00 -0.28 -5.24 1.61 3.07 -2.03 -3.45 115.11 108.79 2o5j h GLN 188 Ca 0.00 0.02 -0.68 0.00 0.09 0.00 0.00 58.65 58.08 2o5j h GLN 188 Cb 0.00 0.06 -0.33 0.00 0.08 0.00 0.00 27.48 27.29 2o5j h GLN 188 CO 0.00 -0.19 -0.87 1.03 0.09 0.00 0.00 178.83 178.90 2o5j s ARG 189 N -2.94 3.05 0.31 0.06 3.00 -0.88 -5.01 118.95 116.54 2o5j s ARG 189 Ca -0.04 -0.85 0.05 0.00 0.00 0.00 0.00 55.73 54.89 2o5j s ARG 189 Cb 0.00 -2.42 0.52 0.00 0.00 0.00 0.00 34.95 33.05 2o5j s ARG 189 CO 0.13 0.05 1.76 1.79 0.00 0.00 0.00 175.30 179.03 2o5j h THR 190 N 5.77 1.26 -0.51 0.02 1.35 -1.88 -3.36 112.91 115.56 2o5j h THR 190 Ca -0.29 -1.22 -0.19 0.00 -0.55 0.00 0.00 66.41 64.16 2o5j h THR 190 Cb 1.20 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 2o5j h THR 190 CO 0.53 0.38 0.52 1.51 -0.25 0.00 0.00 175.52 178.21 2o5j s ASP 191 N -6.84 4.59 0.06 5.36 -4.77 -1.26 -4.53 116.67 109.27 2o5j s ASP 191 Ca -0.06 -0.68 -0.07 0.00 -3.30 0.00 0.00 52.55 48.44 2o5j s ASP 191 Cb 0.14 -2.57 -0.01 0.00 -1.09 0.00 0.00 42.92 39.40 2o5j s ASP 191 CO 0.77 -3.34 0.14 -0.76 0.70 0.00 0.00 175.17 172.68 2o5j s LEU 192 N 12.31 1.66 -0.01 2.11 1.43 -1.26 -4.76 118.68 130.16 2o5j s LEU 192 Ca 0.77 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2o5j s LEU 192 Cb -0.07 0.79 -0.04 0.00 0.03 0.00 0.00 46.19 46.90 2o5j s LEU 192 CO 0.06 -0.62 0.05 -1.81 0.23 0.00 0.00 176.35 174.25 2o5j s ASP 193 N -2.54 5.45 -0.23 2.29 1.11 -0.83 -2.94 116.67 118.99 2o5j s ASP 193 Ca 0.01 0.09 -0.02 0.00 0.18 0.00 0.00 52.55 52.81 2o5j s ASP 193 Cb 0.03 -1.52 0.07 0.00 1.07 0.00 0.00 42.92 42.57 2o5j s ASP 193 CO -0.08 0.28 0.06 -0.75 1.18 0.00 0.00 175.17 175.86 2o5j s LYS 194 N -1.60 0.65 -0.20 8.23 2.20 -0.94 -1.31 119.74 126.78 2o5j s LYS 194 Ca 0.21 -0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 2o5j s LYS 194 Cb -0.12 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 2o5j s LYS 194 CO 0.12 -0.77 0.24 -1.17 -0.36 0.00 0.00 175.35 173.40 2o5j s LEU 195 N 1.81 4.19 -0.19 5.43 2.96 -1.11 -2.14 118.68 129.63 2o5j s LEU 195 Ca 0.03 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2o5j s LEU 195 Cb -0.17 -2.26 0.06 0.00 0.50 0.00 0.00 46.19 44.32 2o5j s LEU 195 CO -0.15 0.08 0.01 0.42 -1.32 0.00 0.00 176.35 175.40 2o5j s THR 196 N 0.72 0.71 -0.14 3.68 -4.23 -0.90 -0.75 115.64 114.72 2o5j s THR 196 Ca 0.13 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2o5j s THR 196 Cb -0.13 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 2o5j s THR 196 CO 0.03 -0.15 -0.11 -1.48 -0.54 0.00 0.00 174.62 172.37 2o5j s LEU 197 N 1.78 2.78 -0.25 4.79 2.34 -0.57 -1.93 118.68 127.62 2o5j s LEU 197 Ca -0.01 -0.32 -0.14 0.00 0.06 0.00 0.00 54.13 53.71 2o5j s LEU 197 Cb -0.17 -1.64 -0.04 0.00 -0.56 0.00 0.00 46.19 43.78 2o5j s LEU 197 CO -0.07 0.14 0.34 0.00 -1.06 0.00 0.00 176.35 175.70 2o5j s ARG 198 N 0.50 4.06 -0.10 1.48 1.70 0.27 -2.42 118.95 124.44 2o5j s ARG 198 Ca -0.08 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.22 2o5j s ARG 198 Cb -0.15 -3.61 -0.01 0.00 -0.57 0.00 0.00 34.95 30.60 2o5j s ARG 198 CO 0.04 -0.16 -0.16 0.42 -1.08 0.00 0.00 175.30 174.36 2o5j s ILE 199 N 1.71 2.81 -0.12 4.99 1.09 -0.87 -1.16 121.20 129.65 2o5j s ILE 199 Ca 0.15 -0.77 -0.05 0.00 -1.10 0.00 0.00 60.65 58.88 2o5j s ILE 199 Cb -0.15 -2.14 -0.04 0.00 -1.06 0.00 0.00 42.46 39.07 2o5j s ILE 199 CO 0.09 0.55 0.06 0.26 -0.10 0.00 0.00 174.94 175.79 2o5j s TRP 200 N 0.10 3.32 -0.01 3.97 0.51 -0.32 -1.97 118.94 124.55 2o5j s TRP 200 Ca -0.07 0.26 0.03 0.00 -2.12 0.00 0.00 56.10 54.20 2o5j s TRP 200 Cb -0.15 -1.91 -0.01 0.00 -0.81 0.00 0.00 33.47 30.59 2o5j s TRP 200 CO 0.05 0.47 -0.10 0.99 -0.51 0.00 0.00 176.95 177.85 2o5j s THR 201 N -0.59 0.75 -1.00 2.01 2.01 0.18 -2.68 115.64 116.32 2o5j s THR 201 Ca 0.11 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.75 2o5j s THR 201 Cb -0.12 -0.63 0.04 0.00 0.01 0.00 0.00 72.50 71.80 2o5j s THR 201 CO 0.02 0.21 1.16 -0.90 -0.69 0.00 0.00 174.62 174.42 2o5j n ASP 202 N 2.85 0.00 0.00 3.53 3.85 0.97 -4.06 116.55 123.69 2o5j n ASP 202 Ca -0.14 0.50 0.00 0.00 -0.71 0.00 0.00 54.79 54.45 2o5j n ASP 202 Cb 0.57 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 2o5j n ASP 202 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2o5j n GLY 203 N -0.99 1.56 0.43 6.12 0.00 -1.26 -4.96 105.19 106.09 2o5j n GLY 203 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 2o5j n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2o5j h SER 204 N 1.59 -1.89 -1.00 1.61 0.87 -1.87 -3.42 113.55 109.43 2o5j h SER 204 Ca 0.00 0.27 -0.62 0.00 -1.23 0.00 0.00 61.79 60.21 2o5j h SER 204 Cb 0.00 0.81 -0.10 0.00 -0.44 0.00 0.00 62.40 62.67 2o5j h SER 204 CO 0.00 -0.33 -0.49 0.68 -0.53 0.00 0.00 176.83 176.15 2o5j s VAL 205 N -5.64 1.72 0.30 2.23 -7.23 -1.26 -4.98 120.40 105.54 2o5j s VAL 205 Ca -0.14 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2o5j s VAL 205 Cb 0.10 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 2o5j s VAL 205 CO 0.63 0.00 0.37 -0.89 -0.31 0.00 0.00 175.10 174.90 2o5j s THR 206 N -2.75 4.29 0.22 5.32 2.01 -1.26 -4.70 115.64 118.77 2o5j s THR 206 Ca 0.26 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 2o5j s THR 206 Cb 0.03 -3.47 0.16 0.00 0.01 0.00 0.00 72.50 69.24 2o5j s THR 206 CO 0.14 -0.23 1.82 -0.65 -0.69 0.00 0.00 174.62 175.02 2o5j h PRO 207 N 1.11 0.74 -0.16 4.92 0.11 -1.85 -1.31 132.00 135.55 2o5j h PRO 207 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2o5j h PRO 207 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2o5j h PRO 207 CO 0.57 0.49 0.04 1.25 -0.21 0.00 0.00 178.00 180.14 2o5j h LEU 208 N 0.76 0.24 -0.30 2.35 6.46 -1.94 -1.99 115.31 120.88 2o5j h LEU 208 Ca 0.32 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 2o5j h LEU 208 Cb 0.19 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 2o5j h LEU 208 CO -0.18 0.41 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.68 2o5j h GLU 209 N 0.07 0.05 0.17 1.25 5.08 -1.90 -1.87 114.58 117.44 2o5j h GLU 209 Ca 0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2o5j h GLU 209 Cb 0.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2o5j h GLU 209 CO 0.00 0.03 -0.31 0.00 -1.00 0.00 0.00 179.01 177.74 2o5j h ALA 210 N 1.28 -0.56 -0.64 3.43 0.00 -1.19 -1.39 119.26 120.19 2o5j h ALA 210 Ca 0.15 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2o5j h ALA 210 Cb 0.21 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 2o5j h ALA 210 CO -0.27 -0.86 0.14 1.25 0.00 0.00 0.00 179.25 179.50 2o5j h LEU 211 N -0.56 -0.01 -0.23 0.00 5.85 -1.12 0.14 115.31 119.38 2o5j h LEU 211 Ca 0.02 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2o5j h LEU 211 Cb 0.57 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2o5j h LEU 211 CO -0.15 -0.01 0.12 0.78 -0.34 0.00 0.00 178.44 178.85 2o5j h ASN 212 N 0.26 0.30 -0.54 1.25 -0.26 -1.06 -0.37 115.58 115.15 2o5j h ASN 212 Ca 0.34 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2o5j h ASN 212 Cb 0.53 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.69 2o5j h ASN 212 CO -0.44 0.31 0.34 1.56 -1.06 0.00 0.00 177.43 178.15 2o5j h GLN 213 N 0.26 0.74 0.02 0.81 4.20 -0.40 -2.05 115.11 118.69 2o5j h GLN 213 Ca 0.08 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2o5j h GLN 213 Cb 0.09 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2o5j h GLN 213 CO -0.01 0.51 -0.01 0.00 -0.67 0.00 0.00 178.83 178.65 2o5j h ALA 214 N 1.62 -0.03 -0.02 3.87 0.00 -0.07 -2.07 119.26 122.56 2o5j h ALA 214 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2o5j h ALA 214 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2o5j h ALA 214 CO -0.04 -0.39 -0.17 0.28 0.00 0.00 0.00 179.25 178.93 2o5j h VAL 215 N -0.28 1.13 -0.14 0.00 2.07 -0.86 -2.60 116.25 115.57 2o5j h VAL 215 Ca -0.00 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 2o5j h VAL 215 Cb 0.27 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2o5j h VAL 215 CO 0.00 0.18 -0.19 -0.08 0.02 0.00 0.00 177.57 177.51 2o5j h GLU 216 N 0.03 0.37 -0.00 1.57 4.22 -1.22 -0.34 114.58 119.20 2o5j h GLU 216 Ca 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.23 2o5j h GLU 216 Cb 0.32 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2o5j h GLU 216 CO 0.02 0.79 0.00 0.82 -2.18 0.00 0.00 179.01 178.46 2o5j h ILE 217 N -0.02 0.91 -0.02 2.32 2.04 -1.15 0.48 117.51 122.08 2o5j h ILE 217 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2o5j h ILE 217 Cb 0.74 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2o5j h ILE 217 CO 0.04 0.00 -0.12 0.25 0.00 0.00 0.00 178.15 178.32 2o5j h LEU 218 N 0.00 0.14 -0.20 1.44 5.85 -1.32 -2.85 115.31 118.38 2o5j h LEU 218 Ca 0.00 -0.70 0.01 0.00 0.84 0.00 0.00 57.88 58.03 2o5j h LEU 218 Cb 0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2o5j h LEU 218 CO -0.00 0.81 0.12 0.03 -0.34 0.00 0.00 178.44 179.06 2o5j h ARG 219 N -0.53 0.24 -0.80 1.25 3.08 -0.31 -0.88 114.38 116.42 2o5j h ARG 219 Ca -0.01 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.20 2o5j h ARG 219 Cb 0.82 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 2o5j h ARG 219 CO 0.02 0.16 0.54 1.49 -1.07 0.00 0.00 179.97 181.11 2o5j h GLU 220 N 0.24 0.33 0.00 0.04 4.81 -0.15 -0.53 114.58 119.33 2o5j h GLU 220 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2o5j h GLU 220 Cb -0.01 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2o5j h GLU 220 CO -0.03 0.22 -0.66 0.45 -0.73 0.00 0.00 179.01 178.26 2o5j h HIS 221 N 0.34 0.00 0.00 0.92 3.86 -1.12 -3.22 115.15 115.93 2o5j h HIS 221 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2o5j h HIS 221 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2o5j h HIS 221 CO -0.00 0.03 0.00 -0.07 0.86 0.00 0.00 177.93 178.75 2o5j h LEU 222 N 0.00 0.00 0.00 2.43 4.07 0.28 -3.03 115.31 119.06 2o5j h LEU 222 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2o5j h LEU 222 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2o5j h LEU 222 CO 0.00 0.00 -0.99 1.07 -1.08 0.00 0.00 178.44 177.44 2o5j n THR 223 N -2.36 0.28 1.39 0.22 5.66 -1.08 -4.04 114.28 114.36 2o5j n THR 223 Ca 0.03 -0.32 0.01 0.00 -3.05 0.00 0.00 64.05 60.72 2o5j n THR 223 Cb 0.33 0.02 0.04 0.00 -1.55 0.00 0.00 70.33 69.18 2o5j n THR 223 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2o5j n TYR 224 N -2.14 0.00 -1.02 1.09 4.01 -1.14 -2.49 117.16 115.47 2o5j n TYR 224 Ca 0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 2o5j n TYR 224 Cb 0.47 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.82 2o5j n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2o5j n PHE 225 N -0.53 1.99 -0.04 -0.72 3.01 -1.26 -4.72 117.46 115.18 2o5j n PHE 225 Ca 0.01 -1.03 -0.01 0.00 1.01 0.00 0.00 57.45 57.44 2o5j n PHE 225 Cb 0.00 -0.56 -0.00 0.00 -0.01 0.00 0.00 39.48 38.92 2o5j n PHE 225 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2o5j h SER 226 N 2.80 0.00 -3.07 4.37 0.87 -1.80 -3.45 113.55 113.27 2o5j h SER 226 Ca 0.14 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 60.06 2o5j h SER 226 Cb 2.03 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.85 2o5j h SER 226 CO 0.55 0.43 0.44 0.54 -0.53 0.00 0.00 176.83 178.26 2o5j s ASN 227 N -5.04 6.27 0.94 6.23 4.22 -1.26 -5.06 114.94 121.23 2o5j s ASN 227 Ca -0.02 -0.66 -0.12 0.00 -2.14 0.00 0.00 52.86 49.92 2o5j s ASN 227 Cb 0.00 -2.40 0.15 0.00 1.28 0.00 0.00 41.25 40.29 2o5j s ASN 227 CO 0.03 -1.21 1.10 -2.84 -2.04 0.00 0.00 177.10 172.15 2o5j s PRO 228 N 3.66 0.94 0.00 3.55 0.02 -1.26 -5.19 135.00 136.71 2o5j s PRO 228 Ca 0.24 0.59 0.00 0.00 0.02 0.00 0.00 61.00 61.85 2o5j s PRO 228 Cb -0.15 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.58 2o5j s PRO 228 CO 0.15 -2.40 0.00 0.94 -0.33 0.00 0.00 177.00 175.36