#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbn s ASN 2 N 0.00 0.75 -0.36 3.17 2.47 -1.26 -5.08 114.94 114.62 3kbn s ASN 2 Ca 0.00 -0.68 0.11 0.00 0.42 0.00 0.00 52.86 52.71 3kbn s ASN 2 Cb 0.00 0.08 0.45 0.00 -1.45 0.00 0.00 41.25 40.33 3kbn s ASN 2 CO 0.00 -0.32 1.07 -1.22 -3.72 0.00 0.00 177.10 172.91 3kbn n TYR 3 N 1.04 2.41 -3.03 0.43 4.01 -1.26 -5.09 117.16 115.67 3kbn n TYR 3 Ca -0.20 -2.80 -0.42 0.00 -0.16 0.00 0.00 57.90 54.33 3kbn n TYR 3 Cb 0.57 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 3kbn n TYR 3 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kbn s GLN 4 N -3.44 3.87 0.57 -0.72 -1.52 -1.26 -4.66 119.66 112.50 3kbn s GLN 4 Ca 0.40 0.36 -0.16 0.00 -1.95 0.00 0.00 55.36 54.01 3kbn s GLN 4 Cb 0.41 -3.75 -0.05 0.00 -0.22 0.00 0.00 33.01 29.40 3kbn s GLN 4 CO -0.07 -0.68 1.05 -1.25 -0.25 0.00 0.00 175.29 174.09 3kbn s PRO 5 N 2.82 3.44 0.15 2.91 0.04 -1.26 -5.07 135.00 138.04 3kbn s PRO 5 Ca 0.29 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.56 3kbn s PRO 5 Cb -0.14 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3kbn s PRO 5 CO 0.13 -0.71 -0.13 0.95 0.04 0.00 0.00 177.00 177.29 3kbn s THR 6 N -2.44 1.36 0.60 1.26 -4.23 -1.26 -4.70 115.64 106.24 3kbn s THR 6 Ca 0.63 -1.95 0.28 0.00 -1.18 0.00 0.00 61.69 59.47 3kbn s THR 6 Cb -0.15 -1.75 0.36 0.00 1.34 0.00 0.00 72.50 72.30 3kbn s THR 6 CO 0.35 -0.57 1.78 -0.65 -0.54 0.00 0.00 174.62 174.98 3kbn h PRO 7 N 3.05 0.00 0.00 3.99 0.11 -1.80 0.38 132.00 137.73 3kbn h PRO 7 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3kbn h PRO 7 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kbn h PRO 7 CO 0.58 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.25 3kbn h GLU 8 N 0.00 0.00 0.00 1.05 3.07 -1.95 -1.84 114.58 114.91 3kbn h GLU 8 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3kbn h GLU 8 Cb 1.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 3kbn h GLU 8 CO -0.00 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.41 3kbn n ASP 9 N -3.30 0.00 -2.34 1.42 8.00 0.12 -4.92 116.55 115.53 3kbn n ASP 9 Ca -0.01 0.29 -0.18 0.00 0.71 0.00 0.00 54.79 55.60 3kbn n ASP 9 Cb 0.21 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 40.91 3kbn n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kbn n ARG 10 N -1.42 -3.23 -2.80 -1.24 5.12 -0.69 -4.68 116.66 107.72 3kbn n ARG 10 Ca 0.08 0.77 -0.41 0.00 -1.93 0.00 0.00 57.85 56.36 3kbn n ARG 10 Cb 0.23 -5.27 -0.04 0.00 -1.16 0.00 0.00 32.46 26.22 3kbn n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3kbn s PHE 11 N -3.00 3.67 0.11 -1.55 0.08 -1.26 -0.72 117.98 115.30 3kbn s PHE 11 Ca 0.17 1.60 0.04 0.00 0.12 0.00 0.00 56.93 58.86 3kbn s PHE 11 Cb -0.08 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 3kbn s PHE 11 CO 0.22 0.06 -0.10 0.95 -0.10 0.00 0.00 175.22 176.25 3kbn s THR 12 N 0.75 1.00 0.01 0.64 -4.23 -0.48 0.31 115.64 113.63 3kbn s THR 12 Ca 0.47 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3kbn s THR 12 Cb -0.21 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.07 3kbn s THR 12 CO 0.26 -0.65 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.31 3kbn s PHE 13 N -2.84 0.17 0.44 3.99 0.40 -1.04 -0.75 117.98 118.35 3kbn s PHE 13 Ca 0.10 -0.15 -0.22 0.00 -0.60 0.00 0.00 56.93 56.06 3kbn s PHE 13 Cb -0.00 -0.11 -0.09 0.00 0.51 0.00 0.00 43.02 43.32 3kbn s PHE 13 CO -0.00 -0.04 1.01 0.20 0.70 0.00 0.00 175.22 177.08 3kbn s GLY 14 N -0.41 2.54 0.45 4.36 0.00 -1.25 -1.56 107.32 111.45 3kbn s GLY 14 Ca -0.04 0.56 0.15 0.00 0.00 0.00 0.00 44.72 45.39 3kbn s GLY 14 CO -0.00 0.89 2.00 1.41 0.00 0.00 0.00 173.10 177.40 3kbn h LEU 15 N 1.96 0.29 0.00 0.66 3.38 -1.46 -1.98 115.31 118.15 3kbn h LEU 15 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kbn h LEU 15 Cb 1.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kbn h LEU 15 CO 0.61 0.18 0.00 -2.67 0.09 0.00 0.00 178.44 176.64 3kbn n TRP 16 N -4.46 0.00 0.00 1.13 2.14 -1.26 -1.91 117.44 113.08 3kbn n TRP 16 Ca 0.08 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.65 3kbn n TRP 16 Cb 0.36 -0.33 0.00 0.00 -0.81 0.00 0.00 31.31 30.53 3kbn n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3kbn n THR 17 N -1.33 0.00 0.30 -1.67 -2.24 -0.74 -2.65 114.28 105.95 3kbn n THR 17 Ca 0.11 0.37 0.17 0.00 -2.27 0.00 0.00 64.05 62.43 3kbn n THR 17 Cb 0.23 -1.15 0.94 0.00 -2.10 0.00 0.00 70.33 68.24 3kbn n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3kbn h VAL 18 N 0.00 0.37 -0.03 2.28 -1.51 -1.72 -1.06 116.25 114.58 3kbn h VAL 18 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3kbn h VAL 18 Cb 0.00 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3kbn h VAL 18 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 3kbn n GLY 19 N -1.00 -0.57 3.69 5.19 0.00 -0.80 -4.90 105.19 106.80 3kbn n GLY 19 Ca -0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3kbn n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kbn s TRP 20 N -1.97 2.44 -1.39 1.61 -0.00 -0.40 -4.68 118.94 114.55 3kbn s TRP 20 Ca 0.38 0.26 0.28 0.00 -0.00 0.00 0.00 56.10 57.02 3kbn s TRP 20 Cb 0.19 -4.03 1.05 0.00 -0.00 0.00 0.00 33.47 30.68 3kbn s TRP 20 CO 0.31 -4.13 1.76 1.04 -0.00 0.00 0.00 176.95 175.93 3kbn n GLN 21 N 5.35 0.42 -0.05 5.86 6.02 -1.26 -4.89 117.38 128.83 3kbn n GLN 21 Ca 0.16 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3kbn n GLN 21 Cb 0.39 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3kbn n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kbn n GLY 22 N 1.37 0.86 3.70 1.08 0.00 -1.26 -1.04 105.19 109.90 3kbn n GLY 22 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kbn n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbn s ARG 23 N -0.95 4.28 0.44 1.61 3.52 -1.26 -4.41 118.95 122.19 3kbn s ARG 23 Ca 0.00 2.05 0.04 0.00 -0.13 0.00 0.00 55.73 57.69 3kbn s ARG 23 Cb 0.00 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3kbn s ARG 23 CO 0.00 -0.55 0.13 0.16 -0.81 0.00 0.00 175.30 174.22 3kbn s ASP 24 N 1.71 3.10 0.49 -2.12 1.47 -0.87 -4.99 116.67 115.47 3kbn s ASP 24 Ca 0.66 -1.74 0.33 0.00 1.18 0.00 0.00 52.55 52.98 3kbn s ASP 24 Cb -0.34 0.63 1.80 0.00 -0.34 0.00 0.00 42.92 44.66 3kbn s ASP 24 CO 0.29 -0.99 2.01 -0.65 0.68 0.00 0.00 175.17 176.51 3kbn h PRO 25 N 1.65 0.00 0.00 2.11 0.11 -2.01 -2.79 132.00 131.07 3kbn h PRO 25 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kbn h PRO 25 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kbn h PRO 25 CO 0.56 0.00 -0.02 1.19 -0.21 0.00 0.00 178.00 179.53 3kbn n PHE 26 N -2.66 0.00 -3.58 0.65 3.72 -1.26 -5.07 117.46 109.26 3kbn n PHE 26 Ca -0.02 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.67 3kbn n PHE 26 Cb 0.05 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.47 3kbn n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kbn s GLY 27 N -1.34 -0.45 0.84 1.37 0.00 -1.05 -5.16 107.32 101.52 3kbn s GLY 27 Ca 0.07 0.85 -0.12 0.00 0.00 0.00 0.00 44.72 45.53 3kbn s GLY 27 CO 0.01 0.54 1.13 0.99 0.00 0.00 0.00 173.10 175.77 3kbn s ASP 28 N -1.56 4.21 0.43 1.64 1.01 -1.26 -2.04 116.67 119.11 3kbn s ASP 28 Ca -0.09 1.02 -0.26 0.00 0.71 0.00 0.00 52.55 53.93 3kbn s ASP 28 Cb -0.01 -1.63 -0.09 0.00 1.01 0.00 0.00 42.92 42.20 3kbn s ASP 28 CO 0.04 -2.11 1.42 0.00 0.21 0.00 0.00 175.17 174.73 3kbn s ALA 29 N -3.33 3.29 -1.01 5.23 0.00 -1.26 -4.28 121.76 120.39 3kbn s ALA 29 Ca 0.62 1.45 0.13 0.00 0.00 0.00 0.00 51.96 54.16 3kbn s ALA 29 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3kbn s ALA 29 CO 0.52 -1.13 0.68 0.25 0.00 0.00 0.00 175.76 176.08 3kbn n THR 30 N -0.06 0.00 -4.16 0.00 -2.24 -0.21 -4.93 114.28 102.69 3kbn n THR 30 Ca 0.04 -0.32 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 3kbn n THR 30 Cb 0.42 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.63 3kbn n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kbn s ARG 31 N -1.80 0.77 0.78 -0.78 0.52 -0.80 -5.01 118.95 112.63 3kbn s ARG 31 Ca 0.09 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 3kbn s ARG 31 Cb 0.10 -0.74 0.06 0.00 0.52 0.00 0.00 34.95 34.89 3kbn s ARG 31 CO 0.38 0.16 1.09 -0.98 0.02 0.00 0.00 175.30 175.97 3kbn s ARG 32 N -1.69 2.19 0.52 3.54 1.70 -1.26 -4.73 118.95 119.23 3kbn s ARG 32 Ca -0.03 1.03 -0.21 0.00 -0.47 0.00 0.00 55.73 56.04 3kbn s ARG 32 Cb -0.10 -1.90 -0.06 0.00 -0.57 0.00 0.00 34.95 32.32 3kbn s ARG 32 CO 0.02 -1.65 1.23 0.00 -1.08 0.00 0.00 175.30 173.82 3kbn s ALA 33 N -2.96 2.82 -0.15 7.88 0.00 -1.26 -4.88 121.76 123.22 3kbn s ALA 33 Ca 0.61 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 53.53 3kbn s ALA 33 Cb -0.16 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3kbn s ALA 33 CO 0.56 -0.99 0.19 -0.51 0.00 0.00 0.00 175.76 175.01 3kbn s LEU 34 N -3.44 4.30 0.08 0.00 1.43 -1.26 -5.08 118.68 114.71 3kbn s LEU 34 Ca 0.69 0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 53.91 3kbn s LEU 34 Cb -0.32 -2.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 3kbn s LEU 34 CO 0.38 0.26 1.47 -0.62 0.23 0.00 0.00 176.35 178.07 3kbn s ASP 35 N -0.23 6.76 0.45 2.29 -1.08 -1.26 -4.91 116.67 118.70 3kbn s ASP 35 Ca 0.13 2.33 0.27 0.00 -0.52 0.00 0.00 52.55 54.77 3kbn s ASP 35 Cb -0.12 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 40.08 3kbn s ASP 35 CO 0.02 -0.74 1.74 -0.65 0.52 0.00 0.00 175.17 176.07 3kbn h PRO 36 N 7.42 0.20 -0.44 4.34 0.11 -1.98 0.97 132.00 142.63 3kbn h PRO 36 Ca -0.41 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 3kbn h PRO 36 Cb 1.20 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3kbn h PRO 36 CO 0.90 0.13 -0.18 0.28 -0.21 0.00 0.00 178.00 178.91 3kbn h VAL 37 N 0.21 1.27 -0.55 3.15 2.07 -1.93 -0.92 116.25 119.54 3kbn h VAL 37 Ca 0.64 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3kbn h VAL 37 Cb 2.01 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3kbn h VAL 37 CO -0.23 0.44 0.16 -0.08 0.02 0.00 0.00 177.57 177.89 3kbn h GLU 38 N 0.75 0.87 -0.76 1.57 4.81 -1.21 -1.92 114.58 118.69 3kbn h GLU 38 Ca 0.11 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3kbn h GLU 38 Cb 0.71 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3kbn h GLU 38 CO 0.05 0.80 0.28 0.77 -0.73 0.00 0.00 179.01 180.18 3kbn h SER 39 N 0.77 1.08 -0.47 1.04 0.02 -1.03 -0.78 113.55 114.18 3kbn h SER 39 Ca 0.18 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3kbn h SER 39 Cb 0.30 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3kbn h SER 39 CO -0.00 0.97 0.14 0.58 -1.14 0.00 0.00 176.83 177.39 3kbn h VAL 40 N 1.12 1.23 -0.37 2.27 2.07 -0.96 -0.05 116.25 121.56 3kbn h VAL 40 Ca 0.25 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3kbn h VAL 40 Cb 0.25 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3kbn h VAL 40 CO -0.02 0.27 0.18 0.03 0.02 0.00 0.00 177.57 178.06 3kbn h ARG 41 N 0.63 0.53 -0.41 1.57 3.08 -1.09 -1.70 114.38 116.99 3kbn h ARG 41 Ca 0.15 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3kbn h ARG 41 Cb 0.27 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3kbn h ARG 41 CO -0.00 0.48 -0.21 0.00 -1.07 0.00 0.00 179.97 179.17 3kbn h ARG 42 N 0.46 0.81 -0.61 0.04 2.47 -0.93 -2.28 114.38 114.34 3kbn h ARG 42 Ca 0.13 -0.32 -0.10 0.00 -1.26 0.00 0.00 59.98 58.43 3kbn h ARG 42 Cb 0.12 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3kbn h ARG 42 CO -0.02 0.95 -0.00 -0.07 0.56 0.00 0.00 179.97 181.39 3kbn h LEU 43 N 0.71 1.05 -1.13 3.04 3.38 -0.93 -2.52 115.31 118.91 3kbn h LEU 43 Ca 0.10 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3kbn h LEU 43 Cb 0.73 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3kbn h LEU 43 CO 0.06 1.10 0.53 0.00 0.09 0.00 0.00 178.44 180.22 3kbn h ALA 44 N 0.99 1.35 0.00 1.53 0.00 -1.16 -0.96 119.26 121.01 3kbn h ALA 44 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kbn h ALA 44 Cb 0.57 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kbn h ALA 44 CO 0.03 0.57 -0.18 0.93 0.00 0.00 0.00 179.25 180.61 3kbn h GLU 45 N 1.14 0.00 0.00 0.00 5.08 -1.04 -2.30 114.58 117.46 3kbn h GLU 45 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3kbn h GLU 45 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kbn h GLU 45 CO -0.06 0.18 -0.16 1.28 -1.00 0.00 0.00 179.01 179.25 3kbn n LEU 46 N -3.72 0.18 0.00 1.33 4.77 -0.42 -4.91 117.00 114.23 3kbn n LEU 46 Ca -0.02 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3kbn n LEU 46 Cb 0.29 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3kbn n LEU 46 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3kbn n GLY 47 N 1.49 1.10 3.75 -0.72 0.00 -0.86 -4.69 105.19 105.26 3kbn n GLY 47 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3kbn n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbn s ALA 48 N -2.00 2.16 -0.10 4.61 0.00 -0.86 -3.48 121.76 122.11 3kbn s ALA 48 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.43 3kbn s ALA 48 Cb 0.00 -3.32 -0.24 0.00 0.00 0.00 0.00 23.12 19.57 3kbn s ALA 48 CO 0.00 -1.84 0.46 1.58 0.00 0.00 0.00 175.76 175.96 3kbn n HIS 49 N -3.41 0.87 -3.90 0.00 -0.00 0.15 -4.57 115.22 104.37 3kbn n HIS 49 Ca 0.10 0.27 -0.00 0.00 -0.00 0.00 0.00 57.72 58.09 3kbn n HIS 49 Cb 0.53 -1.15 0.01 0.00 -0.00 0.00 0.00 29.99 29.38 3kbn n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3kbn n GLY 50 N 1.73 0.52 3.29 1.57 0.00 -1.15 -2.06 105.19 109.08 3kbn n GLY 50 Ca -0.24 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 3kbn n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbn s VAL 51 N -2.09 1.11 0.21 1.61 -7.23 -0.08 -2.49 120.40 111.43 3kbn s VAL 51 Ca 0.22 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 3kbn s VAL 51 Cb -0.02 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 3kbn s VAL 51 CO 0.02 -0.55 -0.06 0.42 -0.31 0.00 0.00 175.10 174.62 3kbn s THR 52 N -3.37 1.26 0.02 5.32 -4.23 -0.60 -3.95 115.64 110.08 3kbn s THR 52 Ca 0.22 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.48 3kbn s THR 52 Cb 0.04 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.74 3kbn s THR 52 CO 0.04 -0.48 0.38 0.72 -0.54 0.00 0.00 174.62 174.74 3kbn s PHE 53 N -3.27 -0.24 0.32 3.99 -0.71 -1.25 -1.01 117.98 115.81 3kbn s PHE 53 Ca 0.24 0.26 -0.17 0.00 -1.04 0.00 0.00 56.93 56.23 3kbn s PHE 53 Cb 0.04 0.17 -0.09 0.00 -1.21 0.00 0.00 43.02 41.93 3kbn s PHE 53 CO 0.06 -0.51 0.76 -1.01 -1.34 0.00 0.00 175.22 173.19 3kbn s HIS 54 N -2.04 3.41 0.25 3.49 3.76 -1.26 -1.40 115.29 121.49 3kbn s HIS 54 Ca -0.08 1.30 -0.12 0.00 -0.15 0.00 0.00 55.06 56.00 3kbn s HIS 54 Cb -0.02 -2.59 0.34 0.00 1.11 0.00 0.00 32.58 31.41 3kbn s HIS 54 CO 0.00 0.10 1.57 0.38 -0.85 0.00 0.00 174.74 175.95 3kbn h ASP 55 N 2.38 -1.01 0.58 1.40 2.03 -1.81 -0.47 116.42 119.52 3kbn h ASP 55 Ca -0.48 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 3kbn h ASP 55 Cb 1.18 0.61 0.00 0.00 -0.83 0.00 0.00 39.33 40.29 3kbn h ASP 55 CO 0.65 -0.30 0.00 0.47 -1.03 0.00 0.00 179.24 179.03 3kbn n ASP 56 N -5.54 0.00 0.09 4.15 8.00 -1.26 -1.50 116.55 120.49 3kbn n ASP 56 Ca 0.12 -0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.56 3kbn n ASP 56 Cb 0.43 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3kbn n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kbn h ASP 57 N 0.00 0.09 0.04 -2.24 3.32 -1.47 -3.38 116.42 112.79 3kbn h ASP 57 Ca 0.00 -0.08 -0.38 0.00 0.02 0.00 0.00 57.03 56.59 3kbn h ASP 57 Cb 0.29 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 3kbn h ASP 57 CO 0.00 0.90 -2.34 -0.11 -1.72 0.00 0.00 179.24 175.98 3kbn n LEU 58 N -3.58 2.65 -3.98 1.55 7.94 -0.98 -4.85 117.00 115.75 3kbn n LEU 58 Ca -0.02 -0.03 -0.31 0.00 -1.11 0.00 0.00 56.01 54.54 3kbn n LEU 58 Cb 0.81 -0.85 -0.15 0.00 0.53 0.00 0.00 43.42 43.76 3kbn n LEU 58 CO 0.46 0.88 -0.44 -0.63 -1.11 0.00 0.00 177.39 176.55 3kbn s ILE 59 N -2.53 1.70 0.18 1.96 1.01 -0.56 -4.84 121.20 118.11 3kbn s ILE 59 Ca -0.30 -1.28 -0.33 0.00 0.00 0.00 0.00 60.65 58.75 3kbn s ILE 59 Cb 0.08 -1.89 -0.15 0.00 0.01 0.00 0.00 42.46 40.51 3kbn s ILE 59 CO 0.66 -0.03 1.32 -2.65 0.00 0.00 0.00 174.94 174.24 3kbn n PRO 60 N 4.62 1.57 -1.58 2.79 -0.02 -1.26 -4.20 135.00 136.91 3kbn n PRO 60 Ca -0.13 0.56 -0.52 0.00 -2.02 0.00 0.00 63.50 61.39 3kbn n PRO 60 Cb 0.44 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3kbn n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kbn n PHE 61 N 2.04 1.40 -0.68 6.00 -0.00 -1.26 -1.44 117.46 123.51 3kbn n PHE 61 Ca 0.15 0.68 0.00 0.00 -0.00 0.00 0.00 57.45 58.28 3kbn n PHE 61 Cb 0.26 -2.30 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 3kbn n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kbn n GLY 62 N 2.36 0.76 3.62 7.13 0.00 -1.26 -5.04 105.19 112.76 3kbn n GLY 62 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3kbn n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kbn n SER 63 N 0.00 1.17 -4.77 1.61 7.64 -0.52 -4.97 113.62 113.78 3kbn n SER 63 Ca 0.00 0.96 -0.33 0.00 1.01 0.00 0.00 58.87 60.51 3kbn n SER 63 Cb 0.00 -1.38 0.05 0.00 -1.01 0.00 0.00 64.21 61.88 3kbn n SER 63 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kbn s SER 64 N -0.89 5.02 0.47 6.43 1.04 -1.26 -4.79 113.70 119.73 3kbn s SER 64 Ca 0.67 1.96 0.14 0.00 0.48 0.00 0.00 55.95 59.20 3kbn s SER 64 Cb -0.50 -2.54 1.11 0.00 0.10 0.00 0.00 66.02 64.19 3kbn s SER 64 CO 0.54 -1.69 2.07 0.44 0.98 0.00 0.00 173.24 175.59 3kbn h ASP 65 N -0.17 0.22 -0.34 7.02 5.19 -1.99 0.13 116.42 126.48 3kbn h ASP 65 Ca -0.46 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.77 3kbn h ASP 65 Cb 1.24 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 3kbn h ASP 65 CO 0.54 0.15 -0.47 -1.28 -3.12 0.00 0.00 179.24 175.05 3kbn h SER 66 N 0.25 1.00 0.35 6.45 0.87 -2.00 -1.87 113.55 118.59 3kbn h SER 66 Ca 0.13 -0.50 -0.14 0.00 -1.23 0.00 0.00 61.79 60.05 3kbn h SER 66 Cb 0.19 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3kbn h SER 66 CO -0.02 1.30 -0.56 -0.33 -0.53 0.00 0.00 176.83 176.69 3kbn h GLU 67 N 0.72 0.22 -0.04 2.24 5.08 -1.40 -2.78 114.58 118.64 3kbn h GLU 67 Ca 0.04 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3kbn h GLU 67 Cb 1.08 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3kbn h GLU 67 CO 0.11 0.72 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.51 3kbn h ARG 68 N 0.17 -0.35 -0.62 2.33 2.43 -0.68 -0.90 114.38 116.77 3kbn h ARG 68 Ca -0.00 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3kbn h ARG 68 Cb 1.04 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 3kbn h ARG 68 CO 0.09 -0.23 0.14 1.49 -1.51 0.00 0.00 179.97 179.94 3kbn h GLU 69 N -0.36 0.26 -0.32 0.20 4.81 -1.23 -1.49 114.58 116.44 3kbn h GLU 69 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3kbn h GLU 69 Cb 0.46 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3kbn h GLU 69 CO -0.24 0.17 0.14 0.93 -0.73 0.00 0.00 179.01 179.28 3kbn h GLU 70 N 0.27 0.30 -0.60 1.92 5.08 -1.14 -0.87 114.58 119.54 3kbn h GLU 70 Ca 0.33 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3kbn h GLU 70 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3kbn h GLU 70 CO -0.41 0.20 0.01 0.45 -1.00 0.00 0.00 179.01 178.26 3kbn h HIS 71 N 0.31 1.14 -0.37 4.33 3.86 -0.42 -2.52 115.15 121.48 3kbn h HIS 71 Ca 0.14 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 3kbn h HIS 71 Cb 0.07 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 3kbn h HIS 71 CO -0.11 1.00 -0.12 0.28 0.86 0.00 0.00 177.93 179.84 3kbn h VAL 72 N 0.96 1.28 -0.49 2.45 2.07 -1.06 -2.36 116.25 119.10 3kbn h VAL 72 Ca 0.17 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3kbn h VAL 72 Cb 0.54 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3kbn h VAL 72 CO 0.03 0.40 0.28 0.50 0.02 0.00 0.00 177.57 178.80 3kbn h LYS 73 N 0.53 0.67 -0.65 1.57 3.64 -0.99 0.73 116.57 122.07 3kbn h LYS 73 Ca 0.09 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3kbn h LYS 73 Cb 0.64 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3kbn h LYS 73 CO 0.04 0.51 0.42 0.00 -2.27 0.00 0.00 179.45 178.16 3kbn h ARG 74 N 0.65 0.83 -0.35 1.90 3.08 -1.45 -0.79 114.38 118.25 3kbn h ARG 74 Ca 0.17 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3kbn h ARG 74 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3kbn h ARG 74 CO -0.03 0.55 0.15 0.35 -1.07 0.00 0.00 179.97 179.92 3kbn h PHE 75 N 0.85 0.52 -0.63 3.04 3.57 -0.84 -1.94 116.94 121.51 3kbn h PHE 75 Ca 0.24 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3kbn h PHE 75 Cb -0.07 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3kbn h PHE 75 CO -0.03 0.47 0.34 -0.09 -2.23 0.00 0.00 178.31 176.76 3kbn h ARG 76 N 0.42 0.87 -0.43 1.11 2.43 -0.58 -0.77 114.38 117.43 3kbn h ARG 76 Ca 0.12 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3kbn h ARG 76 Cb 0.16 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3kbn h ARG 76 CO -0.01 0.64 -0.14 0.37 -1.51 0.00 0.00 179.97 179.32 3kbn h GLN 77 N 0.88 0.79 -0.56 0.20 5.75 -0.83 -0.37 115.11 120.97 3kbn h GLN 77 Ca 0.22 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3kbn h GLN 77 Cb 0.03 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3kbn h GLN 77 CO -0.04 0.89 0.17 0.00 -2.65 0.00 0.00 178.83 177.20 3kbn h ALA 78 N 1.13 1.25 -0.55 3.38 0.00 -0.48 -0.41 119.26 123.58 3kbn h ALA 78 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3kbn h ALA 78 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kbn h ALA 78 CO 0.04 0.53 0.13 -0.07 0.00 0.00 0.00 179.25 179.88 3kbn h LEU 79 N 0.82 0.83 -1.05 0.00 3.38 -0.81 -2.41 115.31 116.07 3kbn h LEU 79 Ca 0.19 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3kbn h LEU 79 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kbn h LEU 79 CO -0.01 0.85 -0.02 0.44 0.09 0.00 0.00 178.44 179.79 3kbn h ASP 80 N 0.78 0.62 0.88 -0.43 3.32 -0.67 0.29 116.42 121.21 3kbn h ASP 80 Ca 0.17 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3kbn h ASP 80 Cb 0.35 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3kbn h ASP 80 CO 0.00 0.70 -0.42 0.44 -1.72 0.00 0.00 179.24 178.25 3kbn h ASP 81 N 0.61 0.00 0.00 6.45 3.32 -0.94 -3.33 116.42 122.53 3kbn h ASP 81 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kbn h ASP 81 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3kbn h ASP 81 CO 0.02 0.42 -1.21 0.35 -1.72 0.00 0.00 179.24 177.10 3kbn n THR 82 N -3.53 0.00 -1.00 0.35 -2.24 -0.92 -5.00 114.28 101.94 3kbn n THR 82 Ca -0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3kbn n THR 82 Cb 0.54 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3kbn n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbn n GLY 83 N 1.64 0.64 3.78 3.38 0.00 0.07 -5.03 105.19 109.67 3kbn n GLY 83 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3kbn n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kbn s MET 84 N -0.00 3.80 0.37 1.61 -1.94 -1.19 -4.98 119.30 116.97 3kbn s MET 84 Ca 0.00 1.64 0.08 0.00 -1.71 0.00 0.00 55.69 55.70 3kbn s MET 84 Cb 0.00 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 3kbn s MET 84 CO 0.00 -0.49 0.24 0.15 -0.01 0.00 0.00 175.02 174.92 3kbn s LYS 85 N -2.81 2.48 -0.56 2.03 -0.14 -0.87 -4.79 119.74 115.08 3kbn s LYS 85 Ca 0.64 -1.52 0.04 0.00 -1.36 0.00 0.00 55.97 53.77 3kbn s LYS 85 Cb -0.25 -2.28 0.15 0.00 -1.68 0.00 0.00 37.83 33.78 3kbn s LYS 85 CO 0.30 -0.00 0.35 0.08 -0.76 0.00 0.00 175.35 175.32 3kbn s VAL 86 N -2.43 2.16 -0.64 3.17 1.01 -1.26 -0.90 120.40 121.51 3kbn s VAL 86 Ca 0.42 -3.41 0.25 0.00 0.00 0.00 0.00 61.98 59.24 3kbn s VAL 86 Cb -0.03 -2.46 0.30 0.00 0.00 0.00 0.00 36.38 34.19 3kbn s VAL 86 CO 0.25 -0.95 1.74 -0.65 0.00 0.00 0.00 175.10 175.49 3kbn h PRO 87 N 6.06 0.00 -3.25 2.72 0.11 -1.85 -2.96 132.00 132.83 3kbn h PRO 87 Ca 0.06 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.03 3kbn h PRO 87 Cb 0.85 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.75 3kbn h PRO 87 CO 0.61 0.00 -0.39 1.41 -0.21 0.00 0.00 178.00 179.42 3kbn s MET 88 N -3.15 0.51 0.16 1.05 -2.45 -1.26 -1.14 119.30 113.02 3kbn s MET 88 Ca 0.09 -0.16 -0.03 0.00 -1.25 0.00 0.00 55.69 54.34 3kbn s MET 88 Cb 0.10 0.23 -0.03 0.00 1.25 0.00 0.00 34.83 36.38 3kbn s MET 88 CO 0.60 -0.12 0.14 0.00 1.05 0.00 0.00 175.02 176.68 3kbn s ALA 89 N -1.05 0.75 0.31 4.11 0.00 -1.02 -3.79 121.76 121.08 3kbn s ALA 89 Ca -0.11 -1.41 -0.14 0.00 0.00 0.00 0.00 51.96 50.30 3kbn s ALA 89 Cb -0.05 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3kbn s ALA 89 CO 0.02 -0.56 0.63 -0.08 0.00 0.00 0.00 175.76 175.78 3kbn s THR 90 N -4.07 0.00 -0.04 0.00 -1.32 -0.50 -1.21 115.64 108.51 3kbn s THR 90 Ca 0.27 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.56 3kbn s THR 90 Cb 0.06 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 3kbn s THR 90 CO 0.05 0.00 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.48 3kbn s THR 91 N -3.32 3.53 -0.56 5.08 2.01 -1.26 -2.30 115.64 118.82 3kbn s THR 91 Ca 0.19 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 3kbn s THR 91 Cb -0.03 -2.46 0.05 0.00 0.01 0.00 0.00 72.50 70.06 3kbn s THR 91 CO 0.11 0.53 0.90 0.21 -0.69 0.00 0.00 174.62 175.68 3kbn s ASN 92 N -1.00 6.30 -0.37 3.53 3.84 -1.26 -4.84 114.94 121.14 3kbn s ASN 92 Ca 0.14 -0.53 0.05 0.00 0.21 0.00 0.00 52.86 52.73 3kbn s ASN 92 Cb -0.11 -2.41 0.46 0.00 -0.55 0.00 0.00 41.25 38.64 3kbn s ASN 92 CO 0.03 -1.21 1.40 0.18 -2.79 0.00 0.00 177.10 174.72 3kbn n LEU 93 N 7.31 5.36 0.00 3.21 4.77 -1.26 -4.72 117.00 131.66 3kbn n LEU 93 Ca -0.00 -4.52 0.00 0.00 -0.03 0.00 0.00 56.01 51.46 3kbn n LEU 93 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kbn n LEU 93 CO 0.62 1.86 0.00 2.22 -1.33 0.00 0.00 177.39 180.76 3kbn n PHE 94 N -0.82 0.00 0.02 -1.77 1.16 -1.26 -4.47 117.46 110.32 3kbn n PHE 94 Ca 0.46 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.84 3kbn n PHE 94 Cb 0.90 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.63 3kbn n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 3kbn h THR 95 N 0.00 1.32 -3.86 1.97 2.02 -1.94 -3.46 112.91 108.95 3kbn h THR 95 Ca 0.00 -2.45 -0.53 0.00 0.77 0.00 0.00 66.41 64.20 3kbn h THR 95 Cb 0.00 2.98 0.07 0.00 -1.74 0.00 0.00 68.15 69.46 3kbn h THR 95 CO 0.00 0.68 0.67 -2.28 0.37 0.00 0.00 175.52 174.97 3kbn s HIS 96 N -2.43 2.95 0.58 3.16 2.46 -1.26 -4.88 115.29 115.88 3kbn s HIS 96 Ca -0.17 1.34 0.30 0.00 0.47 0.00 0.00 55.06 57.00 3kbn s HIS 96 Cb 0.02 -3.76 1.43 0.00 -0.13 0.00 0.00 32.58 30.15 3kbn s HIS 96 CO 0.78 -2.13 1.82 -1.35 -2.47 0.00 0.00 174.74 171.40 3kbn h PRO 97 N 3.40 0.00 0.00 2.88 0.11 -2.02 -0.85 132.00 135.51 3kbn h PRO 97 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3kbn h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kbn h PRO 97 CO 0.66 0.00 -0.05 -0.24 -0.21 0.00 0.00 178.00 178.16 3kbn h VAL 98 N 0.00 0.38 -0.39 3.15 3.04 -1.97 -1.67 116.25 118.79 3kbn h VAL 98 Ca 0.32 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 3kbn h VAL 98 Cb 1.57 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 3kbn h VAL 98 CO -0.00 0.05 0.00 0.49 -1.01 0.00 0.00 177.57 177.10 3kbn n PHE 99 N -3.52 1.21 0.30 3.17 3.72 -0.32 -4.55 117.46 117.47 3kbn n PHE 99 Ca -0.02 -0.44 0.16 0.00 -0.05 0.00 0.00 57.45 57.10 3kbn n PHE 99 Cb 0.17 -0.30 0.93 0.00 -0.94 0.00 0.00 39.48 39.33 3kbn n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kbn h LYS 100 N 2.60 0.00 -0.29 -1.08 2.10 -1.45 -0.28 116.57 118.16 3kbn h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kbn h LYS 100 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3kbn h LYS 100 CO 0.26 0.01 0.00 -3.47 -2.00 0.00 0.00 179.45 174.25 3kbn n ASP 101 N -3.75 3.36 0.00 7.07 2.03 -1.26 -5.04 116.55 118.97 3kbn n ASP 101 Ca -0.03 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.78 3kbn n ASP 101 Cb 0.10 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 3kbn n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kbn n GLY 102 N -0.02 1.82 0.14 0.27 0.00 -0.12 -3.75 105.19 103.53 3kbn n GLY 102 Ca 0.16 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3kbn n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbn n GLY 103 N -1.04 -0.17 0.26 -0.02 0.00 -1.26 -4.30 105.19 98.65 3kbn n GLY 103 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3kbn n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kbn h PHE 104 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.19 116.94 113.50 3kbn h PHE 104 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3kbn h PHE 104 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kbn h PHE 104 CO 0.00 0.10 -0.17 0.25 -0.60 0.00 0.00 178.31 177.89 3kbn n THR 105 N -3.28 1.66 -1.69 -1.55 -2.24 -1.26 -4.47 114.28 101.45 3kbn n THR 105 Ca -0.00 -2.12 -0.40 0.00 -2.27 0.00 0.00 64.05 59.26 3kbn n THR 105 Cb 0.34 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 3kbn n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbn n ALA 106 N -1.16 1.09 -0.07 6.98 0.00 -1.21 -4.85 120.51 121.30 3kbn n ALA 106 Ca 0.14 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kbn n ALA 106 Cb 0.67 -2.24 0.27 0.00 0.00 0.00 0.00 19.45 18.15 3kbn n ALA 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kbn h ASN 107 N 1.71 0.63 -2.99 0.00 2.35 -1.93 -3.42 115.58 111.94 3kbn h ASN 107 Ca -0.48 -0.09 -0.56 0.00 -0.55 0.00 0.00 56.30 54.62 3kbn h ASN 107 Cb 1.31 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 3kbn h ASN 107 CO 0.58 0.61 0.82 -1.81 -1.65 0.00 0.00 177.43 175.98 3kbn s ASP 108 N -6.63 7.00 0.28 5.81 1.01 -1.26 -4.93 116.67 117.95 3kbn s ASP 108 Ca -0.09 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 54.85 3kbn s ASP 108 Cb 0.16 -2.54 0.39 0.00 1.01 0.00 0.00 42.92 41.94 3kbn s ASP 108 CO 0.78 -0.69 1.84 -0.09 0.21 0.00 0.00 175.17 177.22 3kbn h ARG 109 N 7.86 0.87 -0.25 8.23 2.43 -2.00 -2.36 114.38 129.16 3kbn h ARG 109 Ca -0.28 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 3kbn h ARG 109 Cb 1.12 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3kbn h ARG 109 CO 0.94 0.75 -0.13 0.38 -1.51 0.00 0.00 179.97 180.41 3kbn h ASP 110 N 0.85 0.41 -0.58 -3.80 2.03 -1.96 -2.13 116.42 111.23 3kbn h ASP 110 Ca 0.19 -0.10 -0.09 0.00 -0.73 0.00 0.00 57.03 56.30 3kbn h ASP 110 Cb 0.25 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 3kbn h ASP 110 CO -0.01 0.57 0.02 0.58 -1.03 0.00 0.00 179.24 179.37 3kbn h VAL 111 N 0.40 1.26 -0.86 4.15 2.07 -1.80 -1.33 116.25 120.14 3kbn h VAL 111 Ca 0.08 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3kbn h VAL 111 Cb 0.46 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3kbn h VAL 111 CO 0.03 0.40 0.57 0.03 0.02 0.00 0.00 177.57 178.62 3kbn h ARG 112 N 0.91 1.12 -0.42 1.57 3.08 -1.16 0.17 114.38 119.66 3kbn h ARG 112 Ca 0.17 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 3kbn h ARG 112 Cb 0.53 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3kbn h ARG 112 CO 0.03 0.74 -0.21 0.00 -1.07 0.00 0.00 179.97 179.45 3kbn h ARG 113 N 1.15 0.88 -0.61 0.04 3.08 -1.13 -2.13 114.38 115.67 3kbn h ARG 113 Ca 0.32 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3kbn h ARG 113 Cb -0.11 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3kbn h ARG 113 CO -0.08 1.04 0.40 -0.92 -1.07 0.00 0.00 179.97 179.35 3kbn h TYR 114 N 0.71 0.76 -0.85 3.04 3.20 -0.79 -1.60 116.97 121.45 3kbn h TYR 114 Ca 0.09 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3kbn h TYR 114 Cb 0.78 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 3kbn h TYR 114 CO 0.06 0.48 0.54 0.00 -1.64 0.00 0.00 178.16 177.59 3kbn h ALA 115 N 1.23 1.15 -0.34 1.82 0.00 -0.37 0.01 119.26 122.76 3kbn h ALA 115 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kbn h ALA 115 Cb -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3kbn h ALA 115 CO -0.05 0.31 0.04 -0.07 0.00 0.00 0.00 179.25 179.49 3kbn h LEU 116 N 1.00 0.54 -0.76 0.00 3.38 -1.04 -1.55 115.31 116.89 3kbn h LEU 116 Ca 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3kbn h LEU 116 Cb 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3kbn h LEU 116 CO -0.15 0.67 0.36 0.03 0.09 0.00 0.00 178.44 179.44 3kbn h ARG 117 N 0.39 1.10 -0.77 1.13 2.47 -0.76 -0.44 114.38 117.49 3kbn h ARG 117 Ca 0.10 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 3kbn h ARG 117 Cb 0.37 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 3kbn h ARG 117 CO 0.01 0.86 0.35 -0.22 0.56 0.00 0.00 179.97 181.53 3kbn h LYS 118 N 1.07 1.12 -0.12 0.04 3.64 -0.87 -1.82 116.57 119.63 3kbn h LYS 118 Ca 0.26 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3kbn h LYS 118 Cb 0.13 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3kbn h LYS 118 CO -0.03 0.89 0.04 1.15 -2.27 0.00 0.00 179.45 179.23 3kbn h THR 119 N 1.09 1.16 -0.64 1.00 2.02 -0.92 -2.97 112.91 113.66 3kbn h THR 119 Ca 0.26 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3kbn h THR 119 Cb 0.15 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3kbn h THR 119 CO -0.03 0.15 0.42 0.40 0.37 0.00 0.00 175.52 176.83 3kbn h ILE 120 N 0.03 1.15 -1.00 3.11 2.04 -0.80 -0.61 117.51 121.43 3kbn h ILE 120 Ca 0.04 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 65.72 3kbn h ILE 120 Cb 0.19 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.42 3kbn h ILE 120 CO -0.00 0.16 0.63 -0.09 0.00 0.00 0.00 178.15 178.84 3kbn h ARG 121 N 0.85 0.99 0.00 2.37 2.43 -1.34 -1.77 114.38 117.92 3kbn h ARG 121 Ca 0.24 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3kbn h ARG 121 Cb -0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 3kbn h ARG 121 CO -0.06 0.65 -0.42 -0.97 -1.51 0.00 0.00 179.97 177.67 3kbn h ASN 122 N 1.02 0.00 -0.65 -3.80 -1.24 -1.14 -3.06 115.58 106.71 3kbn h ASN 122 Ca 0.48 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.44 3kbn h ASN 122 Cb 0.44 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 3kbn h ASN 122 CO -0.25 0.35 0.22 0.40 -1.29 0.00 0.00 177.43 176.86 3kbn h ILE 123 N 0.00 1.25 -0.82 2.57 2.04 -0.26 0.27 117.51 122.57 3kbn h ILE 123 Ca -0.01 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3kbn h ILE 123 Cb 1.28 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3kbn h ILE 123 CO 0.04 0.33 0.51 0.44 0.00 0.00 0.00 178.15 179.47 3kbn h ASP 124 N 1.00 0.97 -0.41 1.72 3.32 -1.44 -0.51 116.42 121.05 3kbn h ASP 124 Ca 0.22 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3kbn h ASP 124 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3kbn h ASP 124 CO -0.01 0.73 -0.02 0.25 -1.72 0.00 0.00 179.24 178.47 3kbn h LEU 125 N 1.12 0.73 -0.56 1.55 5.85 -1.35 -2.35 115.31 120.30 3kbn h LEU 125 Ca 0.29 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3kbn h LEU 125 Cb -0.07 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3kbn h LEU 125 CO -0.06 0.88 0.26 0.00 -0.34 0.00 0.00 178.44 179.18 3kbn h ALA 126 N 0.88 0.72 -0.74 1.25 0.00 -0.34 -1.51 119.26 119.53 3kbn h ALA 126 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kbn h ALA 126 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3kbn h ALA 126 CO 0.03 -0.10 0.37 0.28 0.00 0.00 0.00 179.25 179.82 3kbn h VAL 127 N 0.50 1.24 -0.92 0.00 2.07 -1.00 -0.58 116.25 117.55 3kbn h VAL 127 Ca 0.26 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3kbn h VAL 127 Cb 0.21 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3kbn h VAL 127 CO -0.20 0.28 0.60 -0.08 0.02 0.00 0.00 177.57 178.19 3kbn h GLU 128 N 1.03 1.14 -0.00 1.57 4.81 -0.82 -1.20 114.58 121.11 3kbn h GLU 128 Ca 0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3kbn h GLU 128 Cb 0.10 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.23 3kbn h GLU 128 CO -0.03 0.75 -0.01 1.28 -0.73 0.00 0.00 179.01 180.27 3kbn n LEU 129 N -4.43 0.23 0.00 1.64 4.77 -0.63 -4.92 117.00 113.66 3kbn n LEU 129 Ca 0.12 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3kbn n LEU 129 Cb 0.08 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3kbn n LEU 129 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3kbn n GLY 130 N 1.11 0.77 3.77 -0.72 0.00 -0.45 -4.47 105.19 105.19 3kbn n GLY 130 Ca 0.20 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3kbn n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbn s ALA 131 N -2.00 3.16 -0.07 4.61 0.00 -0.29 -4.72 121.76 122.45 3kbn s ALA 131 Ca 0.00 1.03 0.20 0.00 0.00 0.00 0.00 51.96 53.19 3kbn s ALA 131 Cb 0.00 -3.41 -0.30 0.00 0.00 0.00 0.00 23.12 19.41 3kbn s ALA 131 CO 0.00 -0.62 0.45 0.39 0.00 0.00 0.00 175.76 175.99 3kbn n GLU 132 N 0.05 0.60 -4.47 0.00 1.02 -0.30 -4.63 120.64 112.92 3kbn n GLU 132 Ca 0.04 -0.17 -0.21 0.00 -0.02 0.00 0.00 57.16 56.80 3kbn n GLU 132 Cb 0.46 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.26 3kbn n GLU 132 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kbn s THR 133 N -3.35 0.88 -0.23 2.62 2.01 -1.02 -1.99 115.64 114.56 3kbn s THR 133 Ca -0.07 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3kbn s THR 133 Cb 0.13 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.92 3kbn s THR 133 CO 0.82 0.26 -0.12 -0.47 -0.69 0.00 0.00 174.62 174.42 3kbn s TYR 134 N -0.04 3.06 0.13 4.92 5.04 0.27 -2.42 117.35 128.30 3kbn s TYR 134 Ca 0.01 -1.88 -0.11 0.00 -2.44 0.00 0.00 57.07 52.65 3kbn s TYR 134 Cb -0.07 -1.97 -0.06 0.00 0.35 0.00 0.00 41.96 40.21 3kbn s TYR 134 CO 0.00 -0.81 0.48 0.08 -1.34 0.00 0.00 175.55 173.96 3kbn s VAL 135 N 1.23 4.98 -0.15 3.14 1.01 -0.35 -0.93 120.40 129.33 3kbn s VAL 135 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3kbn s VAL 135 Cb -0.17 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3kbn s VAL 135 CO -0.07 0.20 -0.12 0.00 0.00 0.00 0.00 175.10 175.11 3kbn s ALA 136 N -1.50 1.81 -0.29 5.51 0.00 -0.16 -4.18 121.76 122.95 3kbn s ALA 136 Ca 0.37 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3kbn s ALA 136 Cb -0.14 -1.08 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3kbn s ALA 136 CO 0.19 -0.47 -0.01 -0.46 0.00 0.00 0.00 175.76 175.01 3kbn s TRP 137 N 1.50 3.22 -1.33 0.00 -0.00 -1.26 -1.26 118.94 119.81 3kbn s TRP 137 Ca 0.04 -1.79 -0.07 0.00 -0.00 0.00 0.00 56.10 54.28 3kbn s TRP 137 Cb -0.13 -2.10 0.12 0.00 -0.00 0.00 0.00 33.47 31.36 3kbn s TRP 137 CO -0.10 -0.78 2.23 0.41 -0.00 0.00 0.00 176.95 178.71 3kbn n GLY 138 N 4.64 4.95 0.26 5.86 0.00 -1.26 -4.74 105.19 114.89 3kbn n GLY 138 Ca -0.14 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 43.99 3kbn n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kbn h GLY 139 N 6.68 0.00 -2.19 -0.02 0.00 -1.93 -2.21 103.07 103.41 3kbn h GLY 139 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3kbn h GLY 139 CO 1.57 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.65 3kbn n ARG 140 N -3.59 2.45 -2.82 4.80 5.12 -1.26 -3.98 116.66 117.37 3kbn n ARG 140 Ca -0.01 -2.25 -0.43 0.00 -1.93 0.00 0.00 57.85 53.22 3kbn n ARG 140 Cb 0.27 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.05 3kbn n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3kbn s GLU 141 N -1.35 3.45 0.00 5.56 0.41 -0.83 -2.91 118.70 123.03 3kbn s GLU 141 Ca 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 3kbn s GLU 141 Cb 0.21 -3.98 0.00 0.00 -1.78 0.00 0.00 34.13 28.58 3kbn s GLU 141 CO 0.29 -1.34 0.00 0.41 -0.49 0.00 0.00 175.26 174.13 3kbn n GLY 142 N 5.01 -0.42 3.50 -1.39 0.00 -1.26 -1.14 105.19 109.50 3kbn n GLY 142 Ca 0.04 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 3kbn n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbn s ALA 143 N -1.00 -1.79 -0.63 4.61 0.00 -0.65 -4.90 121.76 117.39 3kbn s ALA 143 Ca 0.00 1.07 0.20 0.00 0.00 0.00 0.00 51.96 53.23 3kbn s ALA 143 Cb 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 23.12 23.09 3kbn s ALA 143 CO 0.00 -0.58 0.72 0.39 0.00 0.00 0.00 175.76 176.28 3kbn n GLU 144 N 0.09 0.45 -3.92 0.00 4.71 -1.26 -1.53 120.64 119.19 3kbn n GLU 144 Ca -0.12 -0.06 -0.09 0.00 -0.01 0.00 0.00 57.16 56.87 3kbn n GLU 144 Cb 0.61 -1.46 -0.09 0.00 -1.01 0.00 0.00 31.44 29.49 3kbn n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kbn s SER 145 N -3.41 0.16 0.24 1.62 1.04 -1.26 -4.93 113.70 107.17 3kbn s SER 145 Ca 0.02 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.95 3kbn s SER 145 Cb 0.15 0.24 0.28 0.00 0.10 0.00 0.00 66.02 66.79 3kbn s SER 145 CO 0.84 -0.53 1.60 1.23 0.98 0.00 0.00 173.24 177.35 3kbn h GLY 146 N 3.55 0.38 1.64 7.32 0.00 -1.96 -3.16 103.07 110.84 3kbn h GLY 146 Ca -0.33 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3kbn h GLY 146 CO 0.51 0.37 -0.24 0.61 0.00 0.00 0.00 176.54 177.79 3kbn n GLY 147 N 0.08 -1.53 0.25 4.60 0.00 -1.26 -4.00 105.19 103.34 3kbn n GLY 147 Ca -0.02 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.00 3kbn n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbn h ALA 148 N 2.67 1.01 -2.67 4.61 0.00 -1.98 -3.42 119.26 119.49 3kbn h ALA 148 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3kbn h ALA 148 Cb 0.66 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.10 3kbn h ALA 148 CO 0.00 0.11 -0.57 0.21 0.00 0.00 0.00 179.25 179.00 3kbn s LYS 149 N -3.65 0.17 -0.42 0.00 2.47 -1.26 -4.99 119.74 112.06 3kbn s LYS 149 Ca 0.01 0.51 -0.29 0.00 -1.56 0.00 0.00 55.97 54.65 3kbn s LYS 149 Cb 0.09 -0.53 0.02 0.00 -1.46 0.00 0.00 37.83 35.95 3kbn s LYS 149 CO 0.59 -0.46 1.09 0.34 0.16 0.00 0.00 175.35 177.07 3kbn s ASP 150 N 2.38 6.72 0.29 1.43 -1.08 -1.26 -4.92 116.67 120.22 3kbn s ASP 150 Ca 0.05 0.63 0.12 0.00 -0.52 0.00 0.00 52.55 52.82 3kbn s ASP 150 Cb -0.14 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.19 3kbn s ASP 150 CO -0.10 -1.10 1.63 0.58 0.52 0.00 0.00 175.17 176.69 3kbn h VAL 151 N 6.04 1.34 -0.58 1.11 2.07 -1.98 -0.16 116.25 124.09 3kbn h VAL 151 Ca -0.22 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.21 3kbn h VAL 151 Cb 1.06 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 3kbn h VAL 151 CO 1.08 0.57 0.16 0.03 0.02 0.00 0.00 177.57 179.43 3kbn h ARG 152 N 0.00 0.92 -0.42 1.57 3.08 -1.99 0.82 114.38 118.35 3kbn h ARG 152 Ca -0.01 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 3kbn h ARG 152 Cb 1.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3kbn h ARG 152 CO 0.08 0.84 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.32 3kbn h ASP 153 N 0.83 0.69 -0.60 7.04 3.32 -1.88 -1.41 116.42 124.41 3kbn h ASP 153 Ca 0.18 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3kbn h ASP 153 Cb 0.32 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3kbn h ASP 153 CO -0.00 0.80 -0.03 0.00 -1.72 0.00 0.00 179.24 178.29 3kbn h ALA 154 N 1.28 0.81 -0.30 3.45 0.00 -0.67 -0.76 119.26 123.06 3kbn h ALA 154 Ca 0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3kbn h ALA 154 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kbn h ALA 154 CO 0.03 0.67 -0.12 -0.07 0.00 0.00 0.00 179.25 179.75 3kbn h LEU 155 N 0.97 0.50 -0.63 0.00 3.38 -0.56 0.83 115.31 119.80 3kbn h LEU 155 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kbn h LEU 155 Cb 0.59 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3kbn h LEU 155 CO 0.04 0.66 0.41 0.44 0.09 0.00 0.00 178.44 180.08 3kbn h ASP 156 N 0.48 0.74 -0.23 -0.43 3.32 -0.58 -0.04 116.42 119.67 3kbn h ASP 156 Ca 0.09 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3kbn h ASP 156 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3kbn h ASP 156 CO 0.03 0.54 -0.15 0.03 -1.72 0.00 0.00 179.24 177.97 3kbn h ARG 157 N 0.86 0.65 -0.33 3.56 2.47 -0.62 -0.12 114.38 120.85 3kbn h ARG 157 Ca 0.23 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 3kbn h ARG 157 Cb -0.08 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 3kbn h ARG 157 CO -0.05 0.78 -0.13 1.98 0.56 0.00 0.00 179.97 183.11 3kbn h MET 158 N 0.59 0.67 -0.60 0.04 4.05 -0.47 -1.31 114.93 117.90 3kbn h MET 158 Ca 0.10 -0.28 -0.06 0.00 -0.28 0.00 0.00 59.70 59.18 3kbn h MET 158 Cb 0.60 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 3kbn h MET 158 CO 0.04 0.87 0.15 -0.22 0.23 0.00 0.00 176.91 177.98 3kbn h LYS 159 N 0.45 0.96 -0.71 0.39 3.64 -0.88 -1.73 116.57 118.68 3kbn h LYS 159 Ca 0.08 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3kbn h LYS 159 Cb 0.65 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3kbn h LYS 159 CO 0.04 0.87 0.45 1.49 -2.27 0.00 0.00 179.45 180.03 3kbn h GLU 160 N 0.87 0.95 0.26 1.90 4.81 -0.77 0.18 114.58 122.78 3kbn h GLU 160 Ca 0.19 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kbn h GLU 160 Cb 0.34 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3kbn h GLU 160 CO 0.00 0.65 -0.13 0.00 -0.73 0.00 0.00 179.01 178.80 3kbn h ALA 161 N 1.24 -0.35 -0.34 2.92 0.00 -1.00 -0.89 119.26 120.82 3kbn h ALA 161 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3kbn h ALA 161 Cb -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kbn h ALA 161 CO -0.05 -0.66 -0.08 0.74 0.00 0.00 0.00 179.25 179.20 3kbn h PHE 162 N -0.43 0.62 -0.53 0.00 0.04 -1.09 -1.37 116.94 114.17 3kbn h PHE 162 Ca -0.04 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.56 3kbn h PHE 162 Cb 0.33 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 3kbn h PHE 162 CO -0.04 0.65 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.86 3kbn h ASP 163 N 0.54 0.90 -0.48 2.17 3.32 -0.46 -1.16 116.42 121.25 3kbn h ASP 163 Ca 0.10 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3kbn h ASP 163 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3kbn h ASP 163 CO 0.03 0.98 0.18 -0.07 -1.72 0.00 0.00 179.24 178.63 3kbn h LEU 164 N 0.85 0.68 -1.30 1.55 3.38 -0.69 -0.40 115.31 119.38 3kbn h LEU 164 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kbn h LEU 164 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3kbn h LEU 164 CO 0.03 0.68 0.43 -0.07 0.09 0.00 0.00 178.44 179.60 3kbn h LEU 165 N 0.64 0.79 -0.56 1.67 3.38 -1.06 -0.26 115.31 119.91 3kbn h LEU 165 Ca 0.16 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3kbn h LEU 165 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kbn h LEU 165 CO -0.01 0.59 -0.08 1.23 0.09 0.00 0.00 178.44 180.26 3kbn h GLY 166 N 0.94 1.13 1.13 0.83 0.00 -0.81 -1.48 103.07 104.82 3kbn h GLY 166 Ca 0.24 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3kbn h GLY 166 CO -0.05 0.82 0.46 -2.09 0.00 0.00 0.00 176.54 175.68 3kbn h GLU 167 N 0.93 1.14 0.28 4.80 4.81 -0.61 -1.80 114.58 124.13 3kbn h GLU 167 Ca 0.15 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3kbn h GLU 167 Cb 0.65 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3kbn h GLU 167 CO 0.04 0.82 -0.14 -0.92 -0.73 0.00 0.00 179.01 178.09 3kbn h TYR 168 N 1.15 -0.35 -0.92 0.92 3.20 -0.67 -0.65 116.97 119.64 3kbn h TYR 168 Ca 0.29 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3kbn h TYR 168 Cb 0.01 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3kbn h TYR 168 CO 0.01 -0.07 0.60 0.28 -1.64 0.00 0.00 178.16 177.34 3kbn h VAL 169 N -0.61 1.14 -0.00 1.81 2.07 -1.22 -1.25 116.25 118.19 3kbn h VAL 169 Ca -0.04 -0.39 -0.22 0.00 0.82 0.00 0.00 66.70 66.88 3kbn h VAL 169 Cb 0.44 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kbn h VAL 169 CO 0.06 0.21 -0.91 0.71 0.02 0.00 0.00 177.57 177.66 3kbn h THR 170 N 1.13 1.43 0.00 2.57 1.35 -1.23 -1.75 112.91 116.41 3kbn h THR 170 Ca 0.37 -2.48 -0.06 0.00 -0.55 0.00 0.00 66.41 63.69 3kbn h THR 170 Cb 0.06 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 3kbn h THR 170 CO -0.12 0.74 -0.30 0.77 -0.25 0.00 0.00 175.52 176.36 3kbn h SER 171 N 0.20 0.00 0.86 5.36 4.64 -0.48 -2.29 113.55 121.83 3kbn h SER 171 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kbn h SER 171 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3kbn h SER 171 CO 0.15 0.30 -0.36 0.00 -0.87 0.00 0.00 176.83 176.05 3kbn n GLN 172 N -3.44 0.13 -1.18 4.77 1.13 -0.53 -4.95 117.38 113.30 3kbn n GLN 172 Ca 0.00 0.06 -0.06 0.00 -1.94 0.00 0.00 57.00 55.06 3kbn n GLN 172 Cb 0.48 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 29.20 3kbn n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kbn n GLY 173 N 1.42 0.82 3.77 1.08 0.00 -0.78 -5.02 105.19 106.48 3kbn n GLY 173 Ca 0.05 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 3kbn n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbn s TYR 174 N -2.22 3.30 -1.13 1.61 2.02 -0.73 -4.97 117.35 115.23 3kbn s TYR 174 Ca 0.00 1.63 -0.09 0.00 -0.37 0.00 0.00 57.07 58.24 3kbn s TYR 174 Cb 0.00 -3.29 0.27 0.00 -0.40 0.00 0.00 41.96 38.54 3kbn s TYR 174 CO 0.00 -0.87 1.24 -0.25 -1.57 0.00 0.00 175.55 174.10 3kbn n ASP 175 N 0.44 5.60 -3.88 2.29 10.43 -1.26 -4.80 116.55 125.37 3kbn n ASP 175 Ca 0.02 -3.08 -0.11 0.00 2.57 0.00 0.00 54.79 54.19 3kbn n ASP 175 Cb 0.47 -1.39 -0.11 0.00 1.84 0.00 0.00 41.12 41.92 3kbn n ASP 175 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3kbn s ILE 176 N -1.06 0.07 0.21 0.53 2.07 -1.26 -4.76 121.20 117.01 3kbn s ILE 176 Ca 0.33 -0.57 0.12 0.00 -1.41 0.00 0.00 60.65 59.11 3kbn s ILE 176 Cb -0.06 -0.35 -0.05 0.00 0.13 0.00 0.00 42.46 42.13 3kbn s ILE 176 CO -0.04 -0.31 -0.23 -0.13 -1.91 0.00 0.00 174.94 172.31 3kbn s ARG 177 N -1.07 1.56 0.07 3.50 0.52 -0.84 -5.00 118.95 117.68 3kbn s ARG 177 Ca -0.12 -1.58 0.01 0.00 -0.52 0.00 0.00 55.73 53.52 3kbn s ARG 177 Cb -0.07 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 3kbn s ARG 177 CO 0.01 0.38 0.18 -0.06 0.02 0.00 0.00 175.30 175.83 3kbn s PHE 178 N -1.88 3.45 -0.07 -0.53 0.08 -0.11 -0.57 117.98 118.35 3kbn s PHE 178 Ca 0.23 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.49 3kbn s PHE 178 Cb -0.07 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3kbn s PHE 178 CO 0.11 0.57 -0.04 0.00 -0.10 0.00 0.00 175.22 175.76 3kbn s ALA 179 N -1.49 0.89 -0.09 5.36 0.00 -0.11 -0.99 121.76 125.33 3kbn s ALA 179 Ca 0.34 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 3kbn s ALA 179 Cb -0.13 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 3kbn s ALA 179 CO 0.27 -0.28 0.46 0.42 0.00 0.00 0.00 175.76 176.63 3kbn s ILE 180 N 1.51 5.15 -0.41 0.00 1.01 0.15 -0.99 121.20 127.62 3kbn s ILE 180 Ca -0.01 0.93 -0.13 0.00 0.00 0.00 0.00 60.65 61.44 3kbn s ILE 180 Cb -0.13 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.58 3kbn s ILE 180 CO -0.04 0.38 0.28 -0.70 0.00 0.00 0.00 174.94 174.86 3kbn s GLU 181 N 0.28 2.88 0.50 2.79 2.12 -0.39 -0.78 118.70 126.10 3kbn s GLU 181 Ca 0.25 -1.15 -0.16 0.00 0.36 0.00 0.00 54.97 54.27 3kbn s GLU 181 Cb -0.15 -3.91 -0.08 0.00 0.26 0.00 0.00 34.13 30.25 3kbn s GLU 181 CO 0.11 -0.81 0.97 -1.25 -0.54 0.00 0.00 175.26 173.74 3kbn s PRO 182 N 1.60 3.94 -0.21 4.30 0.05 -1.26 -4.37 135.00 139.05 3kbn s PRO 182 Ca 0.04 0.93 -0.17 0.00 0.05 0.00 0.00 61.00 61.84 3kbn s PRO 182 Cb -0.21 -2.15 0.06 0.00 0.05 0.00 0.00 34.50 32.25 3kbn s PRO 182 CO 0.07 -0.25 0.55 0.21 0.05 0.00 0.00 177.00 177.64 3kbn s LYS 183 N -4.03 0.61 0.15 4.56 2.20 -1.22 -4.70 119.74 117.31 3kbn s LYS 183 Ca 0.58 0.86 0.05 0.00 -0.36 0.00 0.00 55.97 57.11 3kbn s LYS 183 Cb -0.10 0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 3kbn s LYS 183 CO 0.31 -0.11 1.33 -1.00 -0.36 0.00 0.00 175.35 175.53 3kbn h PRO 184 N 5.96 0.08 -2.85 4.03 0.13 -1.64 -3.39 132.00 134.32 3kbn h PRO 184 Ca -0.30 -0.11 0.08 0.00 -0.87 0.00 0.00 66.00 64.79 3kbn h PRO 184 Cb 1.18 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 3kbn h PRO 184 CO 0.18 0.96 0.28 0.54 -0.23 0.00 0.00 178.00 179.74 3kbn s ASN 185 N -6.84 -0.29 -0.00 1.44 4.22 -1.26 -1.79 114.94 110.41 3kbn s ASN 185 Ca -0.01 -0.46 -0.00 0.00 -2.14 0.00 0.00 52.86 50.25 3kbn s ASN 185 Cb 0.10 0.65 0.00 0.00 1.28 0.00 0.00 41.25 43.29 3kbn s ASN 185 CO 0.82 -1.19 0.01 1.21 -2.04 0.00 0.00 177.10 175.91 3kbn n GLU 186 N -0.44 -0.54 0.03 3.55 2.13 -1.26 -4.84 120.64 119.27 3kbn n GLU 186 Ca -0.06 0.84 0.12 0.00 0.66 0.00 0.00 57.16 58.72 3kbn n GLU 186 Cb 0.60 -1.08 0.32 0.00 0.27 0.00 0.00 31.44 31.55 3kbn n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3kbn n PRO 187 N 0.19 0.10 -2.81 5.31 -0.04 -1.26 -5.04 135.00 131.46 3kbn n PRO 187 Ca -0.01 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 3kbn n PRO 187 Cb 0.02 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 3kbn n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kbn s ARG 188 N -3.06 3.59 0.31 0.54 1.81 -1.26 -4.98 118.95 115.90 3kbn s ARG 188 Ca 0.10 0.19 0.01 0.00 -1.72 0.00 0.00 55.73 54.31 3kbn s ARG 188 Cb 0.16 -2.43 0.49 0.00 -0.45 0.00 0.00 34.95 32.72 3kbn s ARG 188 CO 0.66 -0.10 1.86 0.78 -0.68 0.00 0.00 175.30 177.82 3kbn h GLY 189 N 0.61 0.78 -5.93 -3.53 0.00 -1.85 -3.41 103.07 89.74 3kbn h GLY 189 Ca -0.47 -0.44 -0.27 0.00 0.00 0.00 0.00 47.33 46.15 3kbn h GLY 189 CO 0.62 0.41 -0.73 0.99 0.00 0.00 0.00 176.54 177.84 3kbn s ASP 190 N -6.63 0.11 -0.02 0.19 1.01 -0.58 -4.68 116.67 106.08 3kbn s ASP 190 Ca -0.09 0.00 -0.00 0.00 0.71 0.00 0.00 52.55 53.17 3kbn s ASP 190 Cb 0.16 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 44.00 3kbn s ASP 190 CO 0.79 -0.05 0.05 -0.63 0.21 0.00 0.00 175.17 175.54 3kbn s ILE 191 N 0.44 4.55 0.53 0.77 1.01 -0.74 -1.64 121.20 126.11 3kbn s ILE 191 Ca -0.04 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 3kbn s ILE 191 Cb -0.06 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.31 3kbn s ILE 191 CO -0.01 0.41 1.10 -0.76 0.00 0.00 0.00 174.94 175.67 3kbn s LEU 192 N -1.52 3.76 -1.02 2.97 1.43 -0.29 -3.75 118.68 120.26 3kbn s LEU 192 Ca 0.20 2.08 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3kbn s LEU 192 Cb -0.12 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.48 3kbn s LEU 192 CO 0.11 -1.08 0.86 0.18 0.23 0.00 0.00 176.35 176.65 3kbn n LEU 193 N -1.24 -5.31 0.18 1.79 4.77 -1.26 -4.79 117.00 111.14 3kbn n LEU 193 Ca 0.11 -0.67 0.14 0.00 -0.03 0.00 0.00 56.01 55.55 3kbn n LEU 193 Cb 0.52 -3.07 0.45 0.00 -2.33 0.00 0.00 43.42 38.98 3kbn n LEU 193 CO 0.42 -0.01 0.89 1.55 -1.33 0.00 0.00 177.39 178.91 3kbn h PRO 194 N -0.98 0.00 -4.63 3.23 0.13 -1.75 -3.32 132.00 124.68 3kbn h PRO 194 Ca -0.53 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.34 3kbn h PRO 194 Cb 1.28 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 3kbn h PRO 194 CO 0.43 0.00 -0.62 0.95 -0.23 0.00 0.00 178.00 178.53 3kbn s THR 195 N -3.32 0.09 0.28 1.56 -4.23 -1.26 -2.05 115.64 106.71 3kbn s THR 195 Ca 0.06 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 3kbn s THR 195 Cb 0.09 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.70 3kbn s THR 195 CO 0.54 -0.02 1.77 0.58 -0.54 0.00 0.00 174.62 176.95 3kbn h VAL 196 N 2.59 0.72 -0.39 2.29 2.07 -1.92 -1.67 116.25 119.95 3kbn h VAL 196 Ca -0.36 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 3kbn h VAL 196 Cb 1.25 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3kbn h VAL 196 CO 0.54 0.13 0.14 1.23 0.02 0.00 0.00 177.57 179.63 3kbn h GLY 197 N 0.69 0.63 1.08 2.17 0.00 -1.96 -0.23 103.07 105.45 3kbn h GLY 197 Ca 0.52 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 3kbn h GLY 197 CO -0.37 0.33 0.35 0.45 0.00 0.00 0.00 176.54 177.30 3kbn h HIS 198 N 0.48 1.19 -0.35 5.60 -0.00 -1.73 -1.03 115.15 119.31 3kbn h HIS 198 Ca 0.13 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3kbn h HIS 198 Cb 0.21 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3kbn h HIS 198 CO 0.00 0.88 0.10 0.00 -0.00 0.00 0.00 177.93 178.91 3kbn h ALA 199 N 1.22 0.46 -0.88 2.45 0.00 -1.07 -1.99 119.26 119.45 3kbn h ALA 199 Ca 0.27 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kbn h ALA 199 Cb 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3kbn h ALA 199 CO -0.03 0.12 0.58 -0.07 0.00 0.00 0.00 179.25 179.84 3kbn h LEU 200 N 0.41 0.97 -0.54 0.00 3.38 -0.69 -1.76 115.31 117.08 3kbn h LEU 200 Ca 0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kbn h LEU 200 Cb 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3kbn h LEU 200 CO -0.00 0.67 -0.07 0.00 0.09 0.00 0.00 178.44 179.13 3kbn h ALA 201 N 1.36 0.73 -0.77 1.53 0.00 -1.05 -2.91 119.26 118.15 3kbn h ALA 201 Ca 0.35 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kbn h ALA 201 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3kbn h ALA 201 CO -0.11 0.62 0.34 0.35 0.00 0.00 0.00 179.25 180.45 3kbn h PHE 202 N 0.87 1.14 -0.51 0.00 3.57 -1.01 -2.99 116.94 118.01 3kbn h PHE 202 Ca 0.14 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3kbn h PHE 202 Cb 0.63 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3kbn h PHE 202 CO 0.04 0.85 0.34 0.82 -2.23 0.00 0.00 178.31 178.14 3kbn h ILE 203 N 1.10 0.97 0.00 1.41 2.04 -1.12 -0.88 117.51 121.02 3kbn h ILE 203 Ca 0.26 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3kbn h ILE 203 Cb 0.17 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3kbn h ILE 203 CO -0.03 0.08 0.00 -0.62 0.00 0.00 0.00 178.15 177.58 3kbn n GLU 204 N -4.47 0.09 0.00 2.37 -0.58 -1.13 -1.59 120.64 115.32 3kbn n GLU 204 Ca 0.07 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.30 3kbn n GLU 204 Cb 0.26 -1.69 0.12 0.00 -0.57 0.00 0.00 31.44 29.56 3kbn n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kbn n ARG 205 N -1.86 2.30 -1.71 3.49 5.12 -0.34 -4.96 116.66 118.69 3kbn n ARG 205 Ca 0.02 -1.89 -0.31 0.00 -1.93 0.00 0.00 57.85 53.75 3kbn n ARG 205 Cb 0.17 -1.46 0.05 0.00 -1.16 0.00 0.00 32.46 30.06 3kbn n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kbn s LEU 206 N -2.00 3.01 0.22 0.55 1.43 -0.62 -4.98 118.68 116.28 3kbn s LEU 206 Ca 0.28 1.40 -0.00 0.00 -1.03 0.00 0.00 54.13 54.78 3kbn s LEU 206 Cb 0.20 -4.26 0.19 0.00 0.03 0.00 0.00 46.19 42.35 3kbn s LEU 206 CO 0.30 -1.36 1.55 -0.33 0.23 0.00 0.00 176.35 176.74 3kbn h GLU 207 N -0.66 0.46 -2.53 1.70 4.39 -1.93 -3.34 114.58 112.68 3kbn h GLU 207 Ca -0.45 -0.28 -0.60 0.00 0.34 0.00 0.00 59.36 58.37 3kbn h GLU 207 Cb 1.22 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 29.49 3kbn h GLU 207 CO 0.60 0.87 -0.70 0.54 -1.16 0.00 0.00 179.01 179.16 3kbn n ARG 208 N -3.96 1.73 0.29 2.33 1.74 -1.26 -4.96 116.66 112.57 3kbn n ARG 208 Ca -0.03 -4.23 0.15 0.00 -0.77 0.00 0.00 57.85 52.98 3kbn n ARG 208 Cb 0.58 -2.06 0.90 0.00 -1.02 0.00 0.00 32.46 30.86 3kbn n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kbn h PRO 209 N 4.80 0.00 0.00 5.56 0.11 -1.79 -1.69 132.00 138.99 3kbn h PRO 209 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kbn h PRO 209 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3kbn h PRO 209 CO 0.68 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.52 3kbn h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -2.16 114.58 120.63 3kbn h GLU 210 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3kbn h GLU 210 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3kbn h GLU 210 CO -0.00 0.00 -0.09 1.28 0.05 0.00 0.00 179.01 180.25 3kbn n LEU 211 N -2.70 0.52 -4.10 3.06 4.77 -0.64 -4.89 117.00 113.02 3kbn n LEU 211 Ca -0.01 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 3kbn n LEU 211 Cb 0.15 -0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 3kbn n LEU 211 CO 0.19 0.09 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.55 3kbn s TYR 212 N -2.39 1.43 0.00 -1.77 1.51 -0.81 -0.94 117.35 114.38 3kbn s TYR 212 Ca 0.31 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 3kbn s TYR 212 Cb 0.20 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 3kbn s TYR 212 CO 0.45 -0.11 0.00 0.41 -1.11 0.00 0.00 175.55 175.19 3kbn n GLY 213 N 3.07 4.81 3.53 0.71 0.00 -0.16 -4.98 105.19 112.16 3kbn n GLY 213 Ca -0.17 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 3kbn n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbn s VAL 214 N -1.30 2.98 -0.66 1.61 -7.23 -0.12 -0.68 120.40 115.01 3kbn s VAL 214 Ca 0.00 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3kbn s VAL 214 Cb 0.00 -2.43 0.17 0.00 0.56 0.00 0.00 36.38 34.68 3kbn s VAL 214 CO 0.00 -0.03 0.47 0.21 -0.31 0.00 0.00 175.10 175.43 3kbn s ASN 215 N -2.56 4.30 0.51 4.85 2.47 0.04 -2.85 114.94 121.71 3kbn s ASN 215 Ca 0.22 -3.73 -0.19 0.00 0.42 0.00 0.00 52.86 49.58 3kbn s ASN 215 Cb -0.09 -1.45 -0.07 0.00 -1.45 0.00 0.00 41.25 38.19 3kbn s ASN 215 CO 0.13 -0.10 1.05 -2.84 -3.72 0.00 0.00 177.10 171.62 3kbn s PRO 216 N -1.22 3.66 -0.07 0.43 0.02 -1.26 -4.25 135.00 132.31 3kbn s PRO 216 Ca 0.26 1.34 0.05 0.00 0.02 0.00 0.00 61.00 62.67 3kbn s PRO 216 Cb -0.03 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3kbn s PRO 216 CO -0.17 -0.55 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.72 3kbn s GLU 217 N -3.43 2.52 0.15 5.54 2.12 -1.26 -1.03 118.70 123.31 3kbn s GLU 217 Ca 0.67 -0.82 -0.27 0.00 0.36 0.00 0.00 54.97 54.91 3kbn s GLU 217 Cb -0.17 -2.06 -0.00 0.00 0.26 0.00 0.00 34.13 32.16 3kbn s GLU 217 CO 0.24 0.28 1.57 0.28 -0.54 0.00 0.00 175.26 177.10 3kbn h VAL 218 N 5.33 0.11 0.00 3.70 2.07 -1.74 -1.97 116.25 123.75 3kbn h VAL 218 Ca -0.28 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3kbn h VAL 218 Cb 1.19 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3kbn h VAL 218 CO 0.47 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 178.98 3kbn h GLY 219 N -0.33 0.00 0.78 2.17 0.00 -1.87 -2.82 103.07 101.00 3kbn h GLY 219 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3kbn h GLY 219 CO -0.57 0.00 -0.02 0.45 0.00 0.00 0.00 176.54 176.40 3kbn h HIS 220 N 0.00 0.32 -0.25 5.60 3.86 -1.71 -0.50 115.15 122.47 3kbn h HIS 220 Ca -0.00 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 3kbn h HIS 220 Cb 0.71 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3kbn h HIS 220 CO 0.00 0.54 -0.19 0.93 0.86 0.00 0.00 177.93 180.06 3kbn h GLU 221 N 0.01 0.44 0.00 2.45 4.39 -1.44 -2.30 114.58 118.13 3kbn h GLU 221 Ca 0.04 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3kbn h GLU 221 Cb 0.42 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3kbn h GLU 221 CO 0.01 0.62 -0.05 1.96 -1.16 0.00 0.00 179.01 180.38 3kbn h GLN 222 N 0.40 0.00 0.00 2.33 4.20 -1.24 -1.64 115.11 119.16 3kbn h GLN 222 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3kbn h GLN 222 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3kbn h GLN 222 CO 0.04 0.05 0.00 -1.33 -0.67 0.00 0.00 178.83 176.92 3kbn n MET 223 N -3.19 0.18 -0.24 1.46 2.81 -0.22 -1.35 117.12 116.57 3kbn n MET 223 Ca 0.00 0.43 0.08 0.00 -1.81 0.00 0.00 57.70 56.41 3kbn n MET 223 Cb 0.31 -1.86 0.22 0.00 -0.71 0.00 0.00 33.22 31.18 3kbn n MET 223 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kbn n ALA 224 N -1.76 2.28 -1.14 3.04 0.00 -0.67 -4.69 120.51 117.56 3kbn n ALA 224 Ca 0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 53.44 52.24 3kbn n ALA 224 Cb 0.21 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 3kbn n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbn n GLY 225 N 1.02 0.76 3.94 0.00 0.00 -0.45 -5.01 105.19 105.44 3kbn n GLY 225 Ca 0.17 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3kbn n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kbn s LEU 226 N -1.13 3.45 -0.43 0.99 1.43 -0.86 -4.99 118.68 117.13 3kbn s LEU 226 Ca 0.00 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 3kbn s LEU 226 Cb 0.00 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.91 3kbn s LEU 226 CO 0.00 -0.88 0.72 0.21 0.23 0.00 0.00 176.35 176.64 3kbn s ASN 227 N -4.26 6.39 0.05 2.29 3.84 -1.26 -4.30 114.94 117.68 3kbn s ASN 227 Ca 0.51 -0.15 -0.24 0.00 0.21 0.00 0.00 52.86 53.19 3kbn s ASN 227 Cb -0.10 -2.36 -0.17 0.00 -0.55 0.00 0.00 41.25 38.07 3kbn s ASN 227 CO 0.41 -0.84 1.55 0.15 -2.79 0.00 0.00 177.10 175.59 3kbn h PHE 228 N 8.88 -0.02 -0.98 0.43 3.57 -1.92 -2.14 116.94 124.76 3kbn h PHE 228 Ca -0.25 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.42 3kbn h PHE 228 Cb 1.09 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.75 3kbn h PHE 228 CO 0.77 0.18 0.61 -1.35 -2.23 0.00 0.00 178.31 176.29 3kbn h PRO 229 N -0.21 0.77 -0.68 6.41 0.11 -1.92 -0.23 132.00 136.24 3kbn h PRO 229 Ca -0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3kbn h PRO 229 Cb 0.20 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3kbn h PRO 229 CO 0.00 0.51 0.36 0.45 -0.21 0.00 0.00 178.00 179.11 3kbn h HIS 230 N 0.79 0.94 -0.51 0.65 3.86 -1.88 -0.06 115.15 118.94 3kbn h HIS 230 Ca 0.53 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.59 3kbn h HIS 230 Cb 0.79 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3kbn h HIS 230 CO -0.00 0.67 -0.18 0.78 0.86 0.00 0.00 177.93 180.06 3kbn h GLY 231 N 0.93 1.10 1.04 2.45 0.00 -0.55 -1.57 103.07 106.48 3kbn h GLY 231 Ca 0.24 -0.95 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 3kbn h GLY 231 CO -0.04 0.86 0.40 -2.22 0.00 0.00 0.00 176.54 175.55 3kbn h ILE 232 N 0.88 1.26 -0.87 2.60 1.08 -0.87 -1.61 117.51 119.99 3kbn h ILE 232 Ca 0.12 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 3kbn h ILE 232 Cb 0.76 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 3kbn h ILE 232 CO 0.06 0.32 0.52 0.00 -0.69 0.00 0.00 178.15 178.36 3kbn h ALA 233 N 1.22 1.11 -0.61 1.87 0.00 -0.55 0.50 119.26 122.80 3kbn h ALA 233 Ca 0.29 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kbn h ALA 233 Cb 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3kbn h ALA 233 CO -0.04 0.57 0.09 0.37 0.00 0.00 0.00 179.25 180.24 3kbn h GLN 234 N 1.20 1.00 -0.56 0.00 4.15 -0.80 0.34 115.11 120.44 3kbn h GLN 234 Ca 0.31 -0.26 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 3kbn h GLN 234 Cb -0.04 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 3kbn h GLN 234 CO -0.06 0.93 0.10 0.00 -1.93 0.00 0.00 178.83 177.87 3kbn h ALA 235 N 1.14 0.75 -0.50 3.38 0.00 -0.74 -1.26 119.26 122.04 3kbn h ALA 235 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kbn h ALA 235 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kbn h ALA 235 CO 0.01 0.49 0.23 -0.07 0.00 0.00 0.00 179.25 179.91 3kbn h LEU 236 N 0.83 0.66 -1.24 0.00 3.38 -0.69 0.24 115.31 118.49 3kbn h LEU 236 Ca 0.17 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3kbn h LEU 236 Cb 0.41 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3kbn h LEU 236 CO 0.01 0.61 0.54 -0.25 0.09 0.00 0.00 178.44 179.44 3kbn h TRP 237 N 0.66 0.94 -0.00 1.13 7.01 -0.67 -0.31 115.95 124.71 3kbn h TRP 237 Ca 0.17 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.19 3kbn h TRP 237 Cb 0.14 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3kbn h TRP 237 CO -0.00 0.51 -0.03 0.00 -2.79 0.00 0.00 178.44 176.13 3kbn n ALA 238 N -2.42 2.47 -1.69 2.65 0.00 -0.50 -4.92 120.51 116.11 3kbn n ALA 238 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3kbn n ALA 238 Cb 0.18 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 3kbn n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbn n GLY 239 N 1.41 0.37 0.00 0.00 0.00 -0.13 -4.96 105.19 101.89 3kbn n GLY 239 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3kbn n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbn n LYS 240 N -1.81 2.59 -2.78 1.61 4.76 0.00 -4.91 118.16 117.62 3kbn n LYS 240 Ca -0.02 -1.42 -0.43 0.00 -2.87 0.00 0.00 58.31 53.57 3kbn n LYS 240 Cb 0.36 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.56 3kbn n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kbn s LEU 241 N -0.94 4.37 0.20 -0.35 2.96 -1.23 -0.94 118.68 122.74 3kbn s LEU 241 Ca 0.01 -1.67 0.22 0.00 -0.22 0.00 0.00 54.13 52.48 3kbn s LEU 241 Cb 0.01 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 3kbn s LEU 241 CO 0.00 -1.29 1.03 0.49 -1.32 0.00 0.00 176.35 175.27 3kbn n PHE 242 N 7.59 0.97 -3.57 5.38 3.01 -1.13 -4.97 117.46 124.74 3kbn n PHE 242 Ca 0.23 0.28 -0.08 0.00 1.01 0.00 0.00 57.45 58.90 3kbn n PHE 242 Cb 0.49 -0.97 -0.02 0.00 -0.01 0.00 0.00 39.48 38.98 3kbn n PHE 242 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3kbn s HIS 243 N -3.35 -0.31 -0.08 1.38 2.46 -1.22 -4.85 115.29 109.31 3kbn s HIS 243 Ca -0.01 0.11 -0.13 0.00 0.47 0.00 0.00 55.06 55.51 3kbn s HIS 243 Cb 0.10 0.57 0.03 0.00 -0.13 0.00 0.00 32.58 33.15 3kbn s HIS 243 CO 0.79 -0.67 0.32 -1.50 -2.47 0.00 0.00 174.74 171.21 3kbn s ILE 244 N -3.26 0.02 -0.21 0.89 2.07 -1.26 -4.09 121.20 115.37 3kbn s ILE 244 Ca 0.07 -0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.08 3kbn s ILE 244 Cb -0.01 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 3kbn s ILE 244 CO -0.06 -0.10 -0.04 -1.81 -1.91 0.00 0.00 174.94 171.01 3kbn s ASP 245 N -0.40 4.39 -0.15 4.50 1.11 -0.20 -3.34 116.67 122.59 3kbn s ASP 245 Ca -0.05 -0.34 -0.05 0.00 0.18 0.00 0.00 52.55 52.29 3kbn s ASP 245 Cb -0.03 -1.74 -0.03 0.00 1.07 0.00 0.00 42.92 42.18 3kbn s ASP 245 CO 0.02 0.02 0.01 -0.76 1.18 0.00 0.00 175.17 175.64 3kbn s LEU 246 N 1.23 3.56 0.00 1.23 1.43 0.13 -2.18 118.68 124.08 3kbn s LEU 246 Ca 0.03 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3kbn s LEU 246 Cb -0.14 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3kbn s LEU 246 CO -0.01 0.23 0.00 -0.46 0.23 0.00 0.00 176.35 176.34 3kbn n ASN 247 N 3.14 0.00 -4.18 2.29 0.23 -1.26 -2.46 115.26 113.02 3kbn n ASN 247 Ca -0.17 -0.61 -0.14 0.00 -0.53 0.00 0.00 54.58 53.13 3kbn n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 3kbn n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3kbn s GLY 248 N -1.20 0.86 -0.16 4.83 0.00 0.15 -4.46 107.32 107.34 3kbn s GLY 248 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 3kbn s GLY 248 CO 0.00 -1.35 0.38 1.62 0.00 0.00 0.00 173.10 173.76 3kbn s GLN 249 N -3.14 0.38 -1.13 2.90 2.00 -1.26 -1.39 119.66 118.03 3kbn s GLN 249 Ca 0.08 0.70 -0.09 0.00 -2.00 0.00 0.00 55.36 54.05 3kbn s GLN 249 Cb -0.00 0.01 0.26 0.00 0.80 0.00 0.00 33.01 34.08 3kbn s GLN 249 CO -0.01 -0.14 1.21 0.09 -0.50 0.00 0.00 175.29 175.94 3kbn n ASN 250 N 3.96 5.54 0.00 6.67 3.02 -1.26 -3.51 115.26 129.69 3kbn n ASN 250 Ca -0.21 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 3kbn n ASN 250 Cb 0.55 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3kbn n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kbn n GLY 251 N 2.79 -1.56 3.46 7.41 0.00 -1.26 -4.70 105.19 111.33 3kbn n GLY 251 Ca 0.26 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 3kbn n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbn s ILE 252 N 0.00 4.57 0.02 -0.61 1.01 -1.26 -4.41 121.20 120.51 3kbn s ILE 252 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 3kbn s ILE 252 Cb 0.00 -4.51 0.01 0.00 0.01 0.00 0.00 42.46 37.97 3kbn s ILE 252 CO 0.00 -1.13 0.10 2.29 0.00 0.00 0.00 174.94 176.19 3kbn n LYS 253 N 7.01 0.06 -1.26 2.79 2.85 -1.26 -5.10 118.16 123.26 3kbn n LYS 253 Ca -0.04 -0.14 -0.36 0.00 -1.05 0.00 0.00 58.31 56.73 3kbn n LYS 253 Cb 0.46 0.18 0.08 0.00 -0.65 0.00 0.00 35.03 35.10 3kbn n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3kbn n TYR 254 N -0.07 -0.48 -1.66 5.58 4.11 -1.26 -4.86 117.16 118.52 3kbn n TYR 254 Ca -0.00 0.36 -0.40 0.00 -0.00 0.00 0.00 57.90 57.86 3kbn n TYR 254 Cb 0.05 -1.95 -0.03 0.00 -0.00 0.00 0.00 39.34 37.42 3kbn n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3kbn s ASP 255 N -1.54 5.09 0.03 9.48 2.15 -1.26 -4.90 116.67 125.72 3kbn s ASP 255 Ca 0.67 1.40 0.05 0.00 0.43 0.00 0.00 52.55 55.10 3kbn s ASP 255 Cb -0.34 -2.51 -0.24 0.00 -0.30 0.00 0.00 42.92 39.53 3kbn s ASP 255 CO 0.57 -2.32 0.93 1.56 -0.17 0.00 0.00 175.17 175.74 3kbn h GLN 256 N 16.59 0.09 -6.20 4.34 4.20 -1.89 -3.48 115.11 128.75 3kbn h GLN 256 Ca -0.33 -0.15 -0.45 0.00 0.06 0.00 0.00 58.65 57.79 3kbn h GLN 256 Cb 1.24 0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.08 3kbn h GLN 256 CO 1.06 0.88 -0.80 -0.25 -0.67 0.00 0.00 178.83 179.06 3kbn n ASP 257 N -3.29 -2.98 -4.69 1.46 9.92 -1.23 -4.67 116.55 111.07 3kbn n ASP 257 Ca -0.11 -0.80 -0.30 0.00 -0.53 0.00 0.00 54.79 53.05 3kbn n ASP 257 Cb 1.01 -3.95 0.15 0.00 -0.64 0.00 0.00 41.12 37.69 3kbn n ASP 257 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kbn s LEU 258 N -6.99 2.16 0.69 0.64 1.43 -0.49 -0.09 118.68 116.03 3kbn s LEU 258 Ca 0.33 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 3kbn s LEU 258 Cb -0.17 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.16 3kbn s LEU 258 CO 0.82 -2.83 1.27 0.00 0.23 0.00 0.00 176.35 175.84 3kbn s ARG 259 N -4.86 2.30 0.30 1.70 1.70 -1.26 -0.67 118.95 118.15 3kbn s ARG 259 Ca 0.64 1.99 -0.30 0.00 -0.47 0.00 0.00 55.73 57.60 3kbn s ARG 259 Cb -0.19 -1.82 -0.11 0.00 -0.57 0.00 0.00 34.95 32.25 3kbn s ARG 259 CO 0.58 -1.77 1.58 0.12 -1.08 0.00 0.00 175.30 174.72 3kbn s PHE 260 N -1.58 2.72 0.00 5.89 5.36 -1.26 -1.93 117.98 127.18 3kbn s PHE 260 Ca 0.80 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 3kbn s PHE 260 Cb -0.35 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.26 3kbn s PHE 260 CO 0.43 -3.52 0.00 0.41 -1.46 0.00 0.00 175.22 171.07 3kbn n GLY 261 N 1.92 2.54 3.70 13.12 0.00 -1.26 -4.44 105.19 120.77 3kbn n GLY 261 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3kbn n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbn s ALA 262 N -2.64 1.18 0.00 4.61 0.00 -0.81 -4.36 121.76 119.73 3kbn s ALA 262 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3kbn s ALA 262 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3kbn s ALA 262 CO 0.00 -2.67 0.00 0.41 0.00 0.00 0.00 175.76 173.50 3kbn n GLY 263 N -1.26 0.61 3.47 0.00 0.00 -1.26 -4.10 105.19 102.65 3kbn n GLY 263 Ca 0.06 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 3kbn n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kbn s ASP 264 N -4.00 6.28 0.15 1.61 -1.08 -1.23 -4.88 116.67 113.53 3kbn s ASP 264 Ca 0.00 -1.16 -0.10 0.00 -0.52 0.00 0.00 52.55 50.77 3kbn s ASP 264 Cb 0.00 -2.44 -0.01 0.00 -1.46 0.00 0.00 42.92 39.01 3kbn s ASP 264 CO 0.00 -1.42 1.53 0.25 0.52 0.00 0.00 175.17 176.05 3kbn h LEU 265 N 11.47 1.02 -0.84 -1.34 5.85 -1.82 -2.34 115.31 127.31 3kbn h LEU 265 Ca -0.17 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.04 3kbn h LEU 265 Cb 1.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3kbn h LEU 265 CO 1.20 1.21 -0.18 0.03 -0.34 0.00 0.00 178.44 180.35 3kbn h ARG 266 N 0.83 0.67 -0.51 1.25 2.47 -1.93 -1.92 114.38 115.23 3kbn h ARG 266 Ca 0.10 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 3kbn h ARG 266 Cb 0.84 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 3kbn h ARG 266 CO 0.07 0.81 0.21 0.00 0.56 0.00 0.00 179.97 181.63 3kbn h ALA 267 N 1.20 1.42 -0.63 0.04 0.00 -1.93 -1.21 119.26 118.15 3kbn h ALA 267 Ca 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kbn h ALA 267 Cb 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3kbn h ALA 267 CO 0.05 0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.95 3kbn h ALA 268 N 1.52 0.82 0.23 0.00 0.00 -0.84 0.04 119.26 121.03 3kbn h ALA 268 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kbn h ALA 268 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kbn h ALA 268 CO -0.02 0.48 -0.12 0.35 0.00 0.00 0.00 179.25 179.93 3kbn h PHE 269 N 0.90 -0.32 0.00 0.00 3.57 -0.86 -1.09 116.94 119.14 3kbn h PHE 269 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3kbn h PHE 269 Cb 0.27 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3kbn h PHE 269 CO 0.02 -0.20 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.11 3kbn h TRP 270 N -0.33 0.00 -0.02 0.41 4.06 -1.07 -1.06 115.95 117.95 3kbn h TRP 270 Ca -0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3kbn h TRP 270 Cb 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 3kbn h TRP 270 CO -0.07 0.30 -0.00 1.25 -3.56 0.00 0.00 178.44 176.36 3kbn h LEU 271 N 0.00 0.04 -0.75 -4.49 5.85 -0.71 -1.87 115.31 113.38 3kbn h LEU 271 Ca -0.00 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3kbn h LEU 271 Cb 0.65 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3kbn h LEU 271 CO 0.04 0.36 0.39 0.58 -0.34 0.00 0.00 178.44 179.47 3kbn h VAL 272 N -0.28 1.23 -0.46 1.05 2.07 -0.96 0.18 116.25 119.08 3kbn h VAL 272 Ca 0.01 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3kbn h VAL 272 Cb 0.34 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3kbn h VAL 272 CO 0.00 0.26 0.09 -0.78 0.02 0.00 0.00 177.57 177.16 3kbn h ASP 273 N 1.04 -0.01 -0.22 0.57 3.58 -1.18 -1.21 116.42 119.00 3kbn h ASP 273 Ca 0.26 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.71 3kbn h ASP 273 Cb 0.07 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 3kbn h ASP 273 CO -0.04 0.03 -0.17 0.25 -2.88 0.00 0.00 179.24 176.43 3kbn h LEU 274 N 0.22 0.53 -0.80 2.28 5.85 -0.77 -0.38 115.31 122.25 3kbn h LEU 274 Ca 0.23 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3kbn h LEU 274 Cb 0.30 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3kbn h LEU 274 CO -0.31 0.87 0.52 -0.07 -0.34 0.00 0.00 178.44 179.12 3kbn h LEU 275 N 0.20 0.92 -0.13 2.25 3.38 -0.73 0.21 115.31 121.40 3kbn h LEU 275 Ca 0.04 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 3kbn h LEU 275 Cb 0.71 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kbn h LEU 275 CO 0.05 0.67 -0.94 -0.33 0.09 0.00 0.00 178.44 177.97 3kbn h GLU 276 N 1.08 0.56 0.00 1.13 4.39 -1.23 -1.22 114.58 119.29 3kbn h GLU 276 Ca 0.29 -0.57 -0.14 0.00 0.34 0.00 0.00 59.36 59.28 3kbn h GLU 276 Cb -0.12 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3kbn h GLU 276 CO -0.06 1.19 -0.66 0.66 -1.16 0.00 0.00 179.01 178.98 3kbn h SER 277 N 0.33 0.00 0.91 1.42 4.64 -0.82 -2.81 113.55 117.22 3kbn h SER 277 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kbn h SER 277 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3kbn h SER 277 CO 0.17 0.66 -0.02 0.00 -0.87 0.00 0.00 176.83 176.77 3kbn n ALA 278 N -2.33 2.41 -1.88 5.18 0.00 0.04 -4.93 120.51 119.00 3kbn n ALA 278 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 3kbn n ALA 278 Cb 0.72 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 3kbn n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbn n GLY 279 N 1.47 0.34 3.69 0.00 0.00 -0.86 -4.95 105.19 104.88 3kbn n GLY 279 Ca 0.08 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3kbn n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kbn n TYR 280 N -3.85 2.58 -0.35 1.61 9.36 -0.52 -4.86 117.16 121.13 3kbn n TYR 280 Ca -0.01 -0.05 0.04 0.00 3.32 0.00 0.00 57.90 61.20 3kbn n TYR 280 Cb 0.44 -2.69 0.10 0.00 -0.63 0.00 0.00 39.34 36.57 3kbn n TYR 280 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3kbn n SER 281 N 5.13 2.59 -3.13 2.98 3.41 -1.26 -4.92 113.62 118.42 3kbn n SER 281 Ca 0.18 -2.30 -0.13 0.00 -0.26 0.00 0.00 58.87 56.36 3kbn n SER 281 Cb 0.35 -0.21 0.08 0.00 -0.26 0.00 0.00 64.21 64.17 3kbn n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbn n GLY 282 N -0.33 -0.15 3.75 5.00 0.00 -1.26 -5.02 105.19 107.17 3kbn n GLY 282 Ca 0.09 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 3kbn n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kbn s PRO 283 N -4.04 2.76 -0.71 1.61 0.02 -1.26 -4.97 135.00 128.41 3kbn s PRO 283 Ca 0.35 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 63.09 3kbn s PRO 283 Cb -0.01 -1.90 0.19 0.00 0.02 0.00 0.00 34.50 32.79 3kbn s PRO 283 CO 0.24 -1.37 0.62 1.03 -0.33 0.00 0.00 177.00 177.18 3kbn s ARG 284 N -3.47 3.18 -0.11 5.54 3.00 0.10 -4.34 118.95 122.84 3kbn s ARG 284 Ca 0.77 -2.32 -0.13 0.00 0.00 0.00 0.00 55.73 54.05 3kbn s ARG 284 Cb -0.31 -4.20 -0.05 0.00 0.00 0.00 0.00 34.95 30.39 3kbn s ARG 284 CO 0.36 -1.26 0.29 -1.58 0.00 0.00 0.00 175.30 173.11 3kbn s HIS 285 N 0.39 3.55 -0.30 -0.53 2.46 -1.21 -1.39 115.29 118.27 3kbn s HIS 285 Ca 0.15 0.67 -0.10 0.00 0.47 0.00 0.00 55.06 56.26 3kbn s HIS 285 Cb -0.16 -2.24 -0.02 0.00 -0.13 0.00 0.00 32.58 30.02 3kbn s HIS 285 CO -0.05 0.44 0.15 -0.06 -2.47 0.00 0.00 174.74 172.74 3kbn s PHE 286 N -0.21 3.17 -0.73 3.88 0.08 0.07 0.18 117.98 124.42 3kbn s PHE 286 Ca 0.18 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 3kbn s PHE 286 Cb -0.14 -2.34 0.19 0.00 -0.57 0.00 0.00 43.02 40.16 3kbn s PHE 286 CO 0.06 -0.38 0.59 0.34 -0.10 0.00 0.00 175.22 175.72 3kbn s ASP 287 N 1.64 5.72 0.19 1.36 2.15 -1.03 -3.76 116.67 122.95 3kbn s ASP 287 Ca 0.05 -3.01 0.00 0.00 0.43 0.00 0.00 52.55 50.02 3kbn s ASP 287 Cb -0.17 -1.94 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 3kbn s ASP 287 CO 0.07 -0.37 0.07 0.72 -0.17 0.00 0.00 175.17 175.48 3kbn s PHE 288 N -0.30 1.19 -0.16 -5.34 -0.71 -1.26 -4.61 117.98 106.78 3kbn s PHE 288 Ca 0.19 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 54.89 3kbn s PHE 288 Cb -0.16 -0.66 0.03 0.00 -1.21 0.00 0.00 43.02 41.03 3kbn s PHE 288 CO -0.06 -0.42 -0.11 0.15 -1.34 0.00 0.00 175.22 173.44 3kbn s LYS 289 N -4.03 2.02 0.18 1.99 1.02 0.87 -4.45 119.74 117.33 3kbn s LYS 289 Ca 0.31 -0.61 -0.32 0.00 0.02 0.00 0.00 55.97 55.37 3kbn s LYS 289 Cb 0.07 -2.14 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 3kbn s LYS 289 CO 0.07 -0.33 1.71 -2.14 -0.92 0.00 0.00 175.35 173.74 3kbn s PRO 290 N 1.50 4.15 0.59 -1.68 0.02 -1.26 -4.67 135.00 133.65 3kbn s PRO 290 Ca 0.02 2.54 -0.19 0.00 0.02 0.00 0.00 61.00 63.40 3kbn s PRO 290 Cb -0.14 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 3kbn s PRO 290 CO -0.09 -0.74 0.93 -2.30 -0.33 0.00 0.00 177.00 174.47 3kbn n PRO 291 N 4.39 0.89 0.00 5.54 -0.02 -1.26 -4.83 135.00 139.70 3kbn n PRO 291 Ca 0.16 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 3kbn n PRO 291 Cb 0.37 -2.12 0.49 0.00 -0.02 0.00 0.00 33.50 32.21 3kbn n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kbn n ARG 292 N -0.86 0.30 0.21 -0.52 1.85 -1.26 -1.50 116.66 114.87 3kbn n ARG 292 Ca 0.13 0.10 0.15 0.00 -1.00 0.00 0.00 57.85 57.23 3kbn n ARG 292 Cb 0.47 -1.50 0.65 0.00 -1.05 0.00 0.00 32.46 31.03 3kbn n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3kbn h THR 293 N 0.00 0.00 -3.16 8.89 1.35 -1.97 -3.45 112.91 114.57 3kbn h THR 293 Ca 0.00 -0.28 -0.58 0.00 -0.55 0.00 0.00 66.41 65.00 3kbn h THR 293 Cb 0.16 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.66 3kbn h THR 293 CO 0.00 0.00 -0.31 -1.61 -0.25 0.00 0.00 175.52 173.35 3kbn s GLU 294 N -3.56 3.62 0.15 4.72 0.41 -0.56 -5.11 118.70 118.36 3kbn s GLU 294 Ca 0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.48 3kbn s GLU 294 Cb 0.09 -2.86 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 3kbn s GLU 294 CO 0.43 0.47 0.20 -0.40 -0.49 0.00 0.00 175.26 175.47 3kbn n ASP 295 N 0.11 0.21 0.23 -0.19 5.68 -1.26 -4.85 116.55 116.48 3kbn n ASP 295 Ca -0.03 -1.19 0.07 0.00 -0.50 0.00 0.00 54.79 53.15 3kbn n ASP 295 Cb 0.52 -0.13 0.56 0.00 -1.14 0.00 0.00 41.12 40.92 3kbn n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3kbn h PHE 296 N -0.56 0.00 -0.66 2.11 0.04 -1.99 -0.76 116.94 115.12 3kbn h PHE 296 Ca -0.07 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 3kbn h PHE 296 Cb 0.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3kbn h PHE 296 CO 0.00 0.19 0.21 -0.44 -0.60 0.00 0.00 178.31 177.67 3kbn h ASP 297 N 0.00 0.94 0.65 2.17 3.32 -2.00 -1.89 116.42 119.60 3kbn h ASP 297 Ca -0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3kbn h ASP 297 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kbn h ASP 297 CO 0.02 0.87 -0.43 1.23 -1.72 0.00 0.00 179.24 179.21 3kbn h GLY 298 N 1.06 0.00 0.94 2.75 0.00 -1.55 -1.89 103.07 104.38 3kbn h GLY 298 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3kbn h GLY 298 CO -0.01 0.00 0.16 -2.08 0.00 0.00 0.00 176.54 174.62 3kbn h VAL 299 N 0.00 1.16 -0.06 4.60 2.07 -0.43 -0.46 116.25 123.14 3kbn h VAL 299 Ca -0.00 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 3kbn h VAL 299 Cb 0.87 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3kbn h VAL 299 CO 0.06 0.17 -0.58 -0.50 0.02 0.00 0.00 177.57 176.74 3kbn h TRP 300 N 0.42 0.24 -0.67 1.57 4.06 -1.24 -1.05 115.95 119.28 3kbn h TRP 300 Ca 0.12 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.91 3kbn h TRP 300 Cb 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 3kbn h TRP 300 CO -0.02 0.72 0.14 0.00 -3.56 0.00 0.00 178.44 175.73 3kbn h ALA 301 N 1.26 0.98 -0.40 1.49 0.00 -1.17 -0.62 119.26 120.79 3kbn h ALA 301 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3kbn h ALA 301 Cb 1.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kbn h ALA 301 CO 0.09 0.65 -0.17 1.03 0.00 0.00 0.00 179.25 180.86 3kbn h SER 302 N 1.02 0.84 -0.41 0.00 0.87 -0.66 -1.00 113.55 114.21 3kbn h SER 302 Ca 0.21 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3kbn h SER 302 Cb 0.39 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3kbn h SER 302 CO 0.01 1.04 0.20 0.00 -0.53 0.00 0.00 176.83 177.55 3kbn h ALA 303 N 0.82 0.53 -0.75 6.23 0.00 -1.07 -2.23 119.26 122.79 3kbn h ALA 303 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kbn h ALA 303 Cb 0.71 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3kbn h ALA 303 CO 0.05 0.10 0.49 0.00 0.00 0.00 0.00 179.25 179.89 3kbn h ALA 304 N 1.05 1.46 -0.26 0.00 0.00 -0.99 -2.52 119.26 117.99 3kbn h ALA 304 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kbn h ALA 304 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kbn h ALA 304 CO -0.02 0.50 -0.08 0.78 0.00 0.00 0.00 179.25 180.44 3kbn h GLY 305 N 1.02 0.44 0.36 0.00 0.00 -0.72 -0.43 103.07 103.74 3kbn h GLY 305 Ca 0.27 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.40 3kbn h GLY 305 CO -0.06 0.25 -0.07 0.00 0.00 0.00 0.00 176.54 176.67 3kbn h MET 307 N 0.02 0.73 -0.43 0.00 2.86 -1.41 -2.61 114.93 114.09 3kbn h MET 307 Ca 0.16 -0.60 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 3kbn h MET 307 Cb 0.24 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3kbn h MET 307 CO -0.33 1.21 0.19 -0.09 1.06 0.00 0.00 176.91 178.95 3kbn h ARG 308 N 0.43 0.37 -0.54 1.72 2.43 -0.96 -1.67 114.38 116.17 3kbn h ARG 308 Ca -0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3kbn h ARG 308 Cb 1.35 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3kbn h ARG 308 CO 0.15 0.25 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.93 3kbn h ASN 309 N 0.38 0.90 -0.37 -3.80 2.35 -1.13 0.84 115.58 114.75 3kbn h ASN 309 Ca 0.20 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3kbn h ASN 309 Cb 0.14 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3kbn h ASN 309 CO -0.17 0.96 0.16 0.22 -1.65 0.00 0.00 177.43 176.95 3kbn h TYR 310 N 0.85 0.28 -0.14 1.19 5.03 -1.14 -1.08 116.97 121.96 3kbn h TYR 310 Ca 0.16 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.36 3kbn h TYR 310 Cb 0.52 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 3kbn h TYR 310 CO 0.03 0.13 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.48 3kbn h LEU 311 N 0.33 0.38 -0.12 2.82 3.38 -0.55 0.57 115.31 122.11 3kbn h LEU 311 Ca 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kbn h LEU 311 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kbn h LEU 311 CO -0.14 0.78 0.01 0.40 0.09 0.00 0.00 178.44 179.58 3kbn h ILE 312 N 0.28 1.23 -0.55 1.22 2.04 -0.65 -2.26 117.51 118.81 3kbn h ILE 312 Ca 0.02 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3kbn h ILE 312 Cb 0.92 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3kbn h ILE 312 CO 0.08 0.21 0.22 -0.07 0.00 0.00 0.00 178.15 178.59 3kbn h LEU 313 N -0.03 0.72 -0.81 1.44 3.38 -0.92 -1.40 115.31 117.70 3kbn h LEU 313 Ca 0.04 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kbn h LEU 313 Cb 0.32 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3kbn h LEU 313 CO 0.00 0.65 0.52 0.50 0.09 0.00 0.00 178.44 180.21 3kbn h LYS 314 N 0.79 1.00 -0.46 1.13 3.64 -0.79 0.15 116.57 122.03 3kbn h LYS 314 Ca 0.19 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3kbn h LYS 314 Cb 0.15 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3kbn h LYS 314 CO -0.02 0.66 0.06 1.49 -2.27 0.00 0.00 179.45 179.37 3kbn h GLU 315 N 1.03 0.77 -0.41 1.90 4.81 -0.75 -1.69 114.58 120.24 3kbn h GLU 315 Ca 0.32 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3kbn h GLU 315 Cb -0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3kbn h GLU 315 CO -0.10 0.80 -0.33 0.00 -0.73 0.00 0.00 179.01 178.65 3kbn h ARG 316 N 0.64 0.94 -0.40 1.92 2.47 -0.90 -1.29 114.38 117.75 3kbn h ARG 316 Ca 0.14 -0.46 -0.11 0.00 -1.26 0.00 0.00 59.98 58.30 3kbn h ARG 316 Cb 0.41 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 3kbn h ARG 316 CO 0.01 1.12 -0.19 0.00 0.56 0.00 0.00 179.97 181.47 3kbn h ALA 317 N 0.84 0.92 -0.64 0.04 0.00 -0.65 -1.48 119.26 118.28 3kbn h ALA 317 Ca 0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3kbn h ALA 317 Cb 0.91 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kbn h ALA 317 CO 0.08 0.62 0.06 0.00 0.00 0.00 0.00 179.25 180.01 3kbn h ALA 318 N 1.11 0.86 -0.62 0.00 0.00 -1.15 -1.54 119.26 117.92 3kbn h ALA 318 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3kbn h ALA 318 Cb 0.68 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3kbn h ALA 318 CO 0.05 0.66 0.13 0.00 0.00 0.00 0.00 179.25 180.09 3kbn h ALA 319 N 1.02 1.06 0.01 0.00 0.00 -1.02 -1.22 119.26 119.12 3kbn h ALA 319 Ca 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kbn h ALA 319 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kbn h ALA 319 CO 0.02 0.61 -0.06 0.35 0.00 0.00 0.00 179.25 180.18 3kbn h PHE 320 N 0.94 -0.15 0.00 0.00 3.57 -1.05 -2.04 116.94 118.21 3kbn h PHE 320 Ca 0.20 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3kbn h PHE 320 Cb 0.36 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3kbn h PHE 320 CO 0.02 -0.09 -0.23 0.00 -2.23 0.00 0.00 178.31 175.78 3kbn h ARG 321 N -0.11 0.00 0.00 1.11 2.47 -1.05 -2.93 114.38 113.87 3kbn h ARG 321 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3kbn h ARG 321 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3kbn h ARG 321 CO -0.05 0.23 -0.56 0.00 0.56 0.00 0.00 179.97 180.14 3kbn n ALA 322 N -2.23 3.32 -2.16 0.04 0.00 -0.48 -4.76 120.51 114.24 3kbn n ALA 322 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 3kbn n ALA 322 Cb 0.43 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3kbn n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbn s ASP 323 N -3.43 6.78 0.52 0.00 -1.08 -0.79 -4.89 116.67 113.78 3kbn s ASP 323 Ca 0.09 2.05 0.18 0.00 -0.52 0.00 0.00 52.55 54.36 3kbn s ASP 323 Cb 0.16 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.37 3kbn s ASP 323 CO 0.71 -0.85 2.09 -0.65 0.52 0.00 0.00 175.17 177.00 3kbn h PRO 324 N 8.87 0.03 -0.15 4.34 0.11 -1.90 -0.16 132.00 143.15 3kbn h PRO 324 Ca -0.35 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 3kbn h PRO 324 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3kbn h PRO 324 CO 0.95 0.02 -0.37 1.49 -0.21 0.00 0.00 178.00 179.89 3kbn h GLU 325 N 0.03 0.32 -0.16 1.05 4.81 -1.95 -1.35 114.58 117.34 3kbn h GLU 325 Ca 0.09 -0.14 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 3kbn h GLU 325 Cb 0.33 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.71 3kbn h GLU 325 CO -0.00 0.64 -0.75 0.28 -0.73 0.00 0.00 179.01 178.45 3kbn h VAL 326 N 0.27 1.29 -0.70 0.32 2.07 -1.35 -1.58 116.25 116.57 3kbn h VAL 326 Ca 0.03 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 3kbn h VAL 326 Cb 0.77 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3kbn h VAL 326 CO 0.06 0.62 0.35 1.56 0.02 0.00 0.00 177.57 180.18 3kbn h GLN 327 N 0.52 0.98 -0.44 1.57 4.20 -0.97 0.11 115.11 121.08 3kbn h GLN 327 Ca -0.04 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 3kbn h GLN 327 Cb 1.38 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 3kbn h GLN 327 CO 0.15 0.75 -0.14 1.49 -0.67 0.00 0.00 178.83 180.42 3kbn h GLU 328 N 0.98 0.87 -0.56 1.46 4.81 -1.20 -2.66 114.58 118.27 3kbn h GLU 328 Ca 0.24 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3kbn h GLU 328 Cb 0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3kbn h GLU 328 CO -0.03 0.99 0.23 0.00 -0.73 0.00 0.00 179.01 179.47 3kbn h ALA 329 N 0.86 1.35 -0.65 2.92 0.00 -0.62 -0.08 119.26 123.04 3kbn h ALA 329 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3kbn h ALA 329 Cb 0.68 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kbn h ALA 329 CO 0.05 0.49 0.14 -0.07 0.00 0.00 0.00 179.25 179.86 3kbn h LEU 330 N 0.80 0.99 -0.86 0.00 3.38 -0.66 -0.97 115.31 118.00 3kbn h LEU 330 Ca 0.19 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3kbn h LEU 330 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kbn h LEU 330 CO -0.02 0.96 -0.21 0.03 0.09 0.00 0.00 178.44 179.29 3kbn h ARG 331 N 0.99 0.61 -0.05 1.13 3.08 -1.09 -1.05 114.38 118.00 3kbn h ARG 331 Ca 0.21 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3kbn h ARG 331 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kbn h ARG 331 CO 0.00 0.78 -0.23 0.00 -1.07 0.00 0.00 179.97 179.46 3kbn h ALA 332 N 1.23 1.52 -0.24 0.04 0.00 -0.28 -1.90 119.26 119.63 3kbn h ALA 332 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kbn h ALA 332 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kbn h ALA 332 CO 0.05 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.08 3kbn n SER 333 N -4.23 2.14 -1.97 0.00 7.64 -0.44 -4.79 113.62 111.96 3kbn n SER 333 Ca -0.02 -1.80 -0.16 0.00 1.01 0.00 0.00 58.87 57.90 3kbn n SER 333 Cb 0.31 -0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 3kbn n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kbn n ARG 334 N 0.64 -2.29 0.24 1.43 3.00 -0.72 -4.89 116.66 114.07 3kbn n ARG 334 Ca 0.17 0.71 0.07 0.00 -0.01 0.00 0.00 57.85 58.78 3kbn n ARG 334 Cb 0.40 -5.05 0.57 0.00 0.00 0.00 0.00 32.46 28.38 3kbn n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3kbn h LEU 335 N -0.46 0.00 -1.02 0.55 -0.00 -1.46 -1.84 115.31 111.09 3kbn h LEU 335 Ca -0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.46 3kbn h LEU 335 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.90 3kbn h LEU 335 CO 0.42 0.15 0.18 -2.24 -0.00 0.00 0.00 178.44 176.95 3kbn h ASP 336 N 0.00 0.83 0.46 -0.43 2.03 -1.88 -2.68 116.42 114.74 3kbn h ASP 336 Ca -0.00 -0.13 -0.13 0.00 -0.73 0.00 0.00 57.03 56.03 3kbn h ASP 336 Cb 0.28 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 3kbn h ASP 336 CO 0.02 0.78 -0.58 -0.33 -1.03 0.00 0.00 179.24 178.10 3kbn h GLU 337 N 0.87 0.12 -0.18 4.15 5.08 -1.74 -2.77 114.58 120.11 3kbn h GLU 337 Ca 0.20 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3kbn h GLU 337 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3kbn h GLU 337 CO -0.01 0.67 0.08 1.25 -1.00 0.00 0.00 179.01 180.00 3kbn h LEU 338 N 0.09 0.21 -0.01 1.33 5.85 -1.05 -1.57 115.31 120.18 3kbn h LEU 338 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kbn h LEU 338 Cb 1.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kbn h LEU 338 CO 0.08 0.19 -0.02 0.00 -0.34 0.00 0.00 178.44 178.35 3kbn n ALA 339 N -2.51 2.44 -2.52 1.25 0.00 -1.05 -4.81 120.51 113.31 3kbn n ALA 339 Ca -0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 3kbn n ALA 339 Cb 0.11 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 3kbn n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbn s ARG 340 N -2.85 3.83 0.44 0.00 0.52 -0.59 -5.04 118.95 115.25 3kbn s ARG 340 Ca 0.19 0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 55.42 3kbn s ARG 340 Cb 0.19 -3.02 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 3kbn s ARG 340 CO 0.51 0.57 1.39 -2.30 0.02 0.00 0.00 175.30 175.49 3kbn n PRO 341 N 1.03 2.20 -0.25 3.54 -0.02 -1.26 -4.90 135.00 135.34 3kbn n PRO 341 Ca -0.08 0.78 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 3kbn n PRO 341 Cb 0.52 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.48 3kbn n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kbn h THR 342 N 2.29 1.25 -1.06 3.45 2.02 -1.93 -3.39 112.91 115.54 3kbn h THR 342 Ca -0.50 -0.87 -0.37 0.00 0.77 0.00 0.00 66.41 65.45 3kbn h THR 342 Cb 1.27 0.52 -0.28 0.00 -1.74 0.00 0.00 68.15 67.92 3kbn h THR 342 CO 0.61 0.34 -0.85 0.00 0.37 0.00 0.00 175.52 175.99 3kbn n ALA 343 N -2.42 0.74 0.29 6.16 0.00 -1.26 -4.91 120.51 119.11 3kbn n ALA 343 Ca 0.05 -2.49 0.11 0.00 0.00 0.00 0.00 53.44 51.10 3kbn n ALA 343 Cb 0.22 -1.04 0.49 0.00 0.00 0.00 0.00 19.45 19.12 3kbn n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kbn n ALA 344 N 0.30 1.38 0.27 0.00 0.00 -1.26 -1.05 120.51 120.16 3kbn n ALA 344 Ca 0.16 0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.88 3kbn n ALA 344 Cb 0.68 -1.33 0.64 0.00 0.00 0.00 0.00 19.45 19.44 3kbn n ALA 344 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kbn h ASP 345 N 0.00 0.00 -5.00 0.00 2.03 -1.95 -3.49 116.42 108.01 3kbn h ASP 345 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kbn h ASP 345 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3kbn h ASP 345 CO 0.00 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 3kbn n GLY 346 N 0.11 1.52 0.05 7.15 0.00 -0.22 -4.39 105.19 109.42 3kbn n GLY 346 Ca 0.01 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 3kbn n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbn h LEU 347 N 0.00 0.03 -0.60 0.99 5.85 -1.95 -1.61 115.31 118.03 3kbn h LEU 347 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kbn h LEU 347 Cb 0.00 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kbn h LEU 347 CO 0.00 0.03 0.27 -0.61 -0.34 0.00 0.00 178.44 177.79 3kbn h GLN 348 N 0.04 0.87 -0.35 1.25 5.75 -1.99 0.61 115.11 121.28 3kbn h GLN 348 Ca 0.02 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 3kbn h GLN 348 Cb -0.00 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3kbn h GLN 348 CO -0.01 0.71 -0.09 0.00 -2.65 0.00 0.00 178.83 176.80 3kbn h ALA 349 N 1.11 1.19 -0.63 3.38 0.00 -1.72 -1.73 119.26 120.85 3kbn h ALA 349 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3kbn h ALA 349 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kbn h ALA 349 CO -0.02 0.52 0.26 1.25 0.00 0.00 0.00 179.25 181.26 3kbn h LEU 350 N 0.55 0.87 -1.44 0.00 5.85 -0.33 -1.48 115.31 119.33 3kbn h LEU 350 Ca 0.10 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kbn h LEU 350 Cb 0.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3kbn h LEU 350 CO 0.03 0.79 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.63 3kbn h LEU 351 N 0.89 0.08 -0.47 2.25 3.38 -0.54 -2.61 115.31 118.28 3kbn h LEU 351 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kbn h LEU 351 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kbn h LEU 351 CO -0.02 0.31 -0.22 0.47 0.09 0.00 0.00 178.44 179.07 3kbn n ASP 352 N -4.24 0.95 -4.48 -0.43 8.00 -0.69 -4.83 116.55 110.83 3kbn n ASP 352 Ca -0.02 -0.86 -0.43 0.00 0.71 0.00 0.00 54.79 54.19 3kbn n ASP 352 Cb 0.30 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 3kbn n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kbn s ASP 353 N -2.48 6.22 0.55 -2.24 2.15 -0.60 -4.87 116.67 115.40 3kbn s ASP 353 Ca 0.26 -0.76 0.29 0.00 0.43 0.00 0.00 52.55 52.77 3kbn s ASP 353 Cb 0.19 -2.44 1.58 0.00 -0.30 0.00 0.00 42.92 41.95 3kbn s ASP 353 CO 0.50 -1.42 2.12 0.03 -0.17 0.00 0.00 175.17 176.23 3kbn h ARG 354 N 9.55 0.00 0.00 4.34 3.08 -1.88 -1.07 114.38 128.40 3kbn h ARG 354 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3kbn h ARG 354 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3kbn h ARG 354 CO 1.17 0.08 0.00 -1.13 -1.07 0.00 0.00 179.97 179.02 3kbn n SER 355 N -3.63 0.00 -0.36 7.04 3.41 -1.26 -0.33 113.62 118.48 3kbn n SER 355 Ca -0.02 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 3kbn n SER 355 Cb 0.20 -0.42 0.33 0.00 -0.26 0.00 0.00 64.21 64.06 3kbn n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbn n ALA 356 N -1.42 3.03 0.01 7.33 0.00 -0.41 -3.90 120.51 125.16 3kbn n ALA 356 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3kbn n ALA 356 Cb 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3kbn n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbn n PHE 357 N -0.31 -2.51 -0.26 0.00 7.35 -0.98 -4.83 117.46 115.91 3kbn n PHE 357 Ca 0.13 0.06 0.04 0.00 -0.76 0.00 0.00 57.45 56.92 3kbn n PHE 357 Cb 0.38 0.63 0.17 0.00 0.35 0.00 0.00 39.48 41.01 3kbn n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kbn h GLU 358 N 0.00 0.56 -0.13 -4.13 3.07 -1.76 -2.58 114.58 109.61 3kbn h GLU 358 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3kbn h GLU 358 Cb 0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3kbn h GLU 358 CO 0.00 0.37 -0.01 0.39 -1.40 0.00 0.00 179.01 178.36 3kbn n GLU 359 N -4.89 2.04 -2.64 2.33 1.02 0.55 -4.99 120.64 114.06 3kbn n GLU 359 Ca 0.13 -2.73 -0.42 0.00 -0.02 0.00 0.00 57.16 54.12 3kbn n GLU 359 Cb 0.34 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3kbn n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbn s PHE 360 N -2.87 3.56 -0.85 -0.32 5.36 -0.97 -4.81 117.98 117.07 3kbn s PHE 360 Ca 0.37 1.58 -0.19 0.00 -0.96 0.00 0.00 56.93 57.73 3kbn s PHE 360 Cb 0.31 -3.20 0.12 0.00 -0.34 0.00 0.00 43.02 39.91 3kbn s PHE 360 CO 0.05 -0.34 1.04 0.34 -1.46 0.00 0.00 175.22 174.85 3kbn s ASP 361 N 1.07 6.51 0.25 6.13 -1.08 -1.26 -4.86 116.67 123.44 3kbn s ASP 361 Ca 0.52 -1.83 -0.01 0.00 -0.52 0.00 0.00 52.55 50.72 3kbn s ASP 361 Cb -0.22 -2.38 0.32 0.00 -1.46 0.00 0.00 42.92 39.18 3kbn s ASP 361 CO 0.25 -1.11 1.71 -0.37 0.52 0.00 0.00 175.17 176.17 3kbn h VAL 362 N 5.82 1.26 -0.40 1.11 -1.51 -1.96 -2.60 116.25 117.96 3kbn h VAL 362 Ca 0.03 -1.18 -0.09 0.00 -1.23 0.00 0.00 66.70 64.23 3kbn h VAL 362 Cb 1.04 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 3kbn h VAL 362 CO 1.10 0.39 -0.12 0.44 -1.23 0.00 0.00 177.57 178.16 3kbn h ASP 363 N 0.61 0.70 -0.33 4.19 3.32 -1.99 -0.32 116.42 122.60 3kbn h ASP 363 Ca 0.10 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 3kbn h ASP 363 Cb 0.61 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3kbn h ASP 363 CO 0.04 0.85 -0.38 0.00 -1.72 0.00 0.00 179.24 178.02 3kbn h ALA 364 N 1.22 0.62 -0.49 3.45 0.00 -1.93 -2.28 119.26 119.86 3kbn h ALA 364 Ca 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3kbn h ALA 364 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kbn h ALA 364 CO 0.04 0.67 0.06 0.00 0.00 0.00 0.00 179.25 180.03 3kbn h ALA 365 N 0.83 0.65 0.00 0.00 0.00 -1.27 -2.87 119.26 116.60 3kbn h ALA 365 Ca 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kbn h ALA 365 Cb 0.96 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3kbn h ALA 365 CO 0.09 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.49 3kbn h ALA 366 N 0.96 1.48 0.00 0.00 0.00 -0.93 -2.28 119.26 118.49 3kbn h ALA 366 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kbn h ALA 366 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kbn h ALA 366 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3kbn n ALA 367 N -2.44 1.97 -2.39 0.00 0.00 -0.87 -4.77 120.51 112.01 3kbn n ALA 367 Ca -0.02 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3kbn n ALA 367 Cb 0.31 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 3kbn n ALA 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbn s ARG 368 N -3.21 4.28 0.55 0.00 0.52 -0.86 -4.99 118.95 115.25 3kbn s ARG 368 Ca 0.07 1.73 -0.18 0.00 -0.52 0.00 0.00 55.73 56.84 3kbn s ARG 368 Cb 0.11 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 3kbn s ARG 368 CO 0.50 -0.59 1.06 0.20 0.02 0.00 0.00 175.30 176.49 3kbn s GLY 369 N 1.83 2.33 0.12 -3.53 0.00 -1.26 -4.95 107.32 101.85 3kbn s GLY 369 Ca 0.57 0.53 0.25 0.00 0.00 0.00 0.00 44.72 46.08 3kbn s GLY 369 CO 0.20 0.86 1.51 1.03 0.00 0.00 0.00 173.10 176.70 3kbn n MET 370 N -1.59 0.22 -2.22 2.90 0.00 -1.26 -4.95 117.12 110.21 3kbn n MET 370 Ca 0.09 0.10 -0.19 0.00 0.00 0.00 0.00 57.70 57.70 3kbn n MET 370 Cb 0.52 -1.68 -0.02 0.00 0.00 0.00 0.00 33.22 32.04 3kbn n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kbn n ALA 371 N -1.74 -0.52 0.15 3.04 0.00 -1.26 -4.14 120.51 116.03 3kbn n ALA 371 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3kbn n ALA 371 Cb 0.41 -2.06 0.19 0.00 0.00 0.00 0.00 19.45 18.00 3kbn n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kbn h PHE 372 N 0.00 0.00 -0.14 0.00 0.04 -1.96 -3.04 116.94 111.84 3kbn h PHE 372 Ca -0.45 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.11 3kbn h PHE 372 Cb 1.33 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.48 3kbn h PHE 372 CO 0.52 0.57 -0.75 0.93 -0.60 0.00 0.00 178.31 178.98 3kbn h GLU 373 N 0.00 0.69 -0.51 1.51 4.39 -1.99 0.07 114.58 118.75 3kbn h GLU 373 Ca -0.01 -0.56 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 3kbn h GLU 373 Cb 1.09 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3kbn h GLU 373 CO 0.07 1.17 0.25 -0.09 -1.16 0.00 0.00 179.01 179.26 3kbn h ARG 374 N 0.48 0.73 -0.40 2.33 2.43 -1.98 0.01 114.38 117.98 3kbn h ARG 374 Ca -0.04 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3kbn h ARG 374 Cb 1.37 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 3kbn h ARG 374 CO 0.15 0.60 0.22 1.25 -1.51 0.00 0.00 179.97 180.68 3kbn h LEU 375 N 0.68 0.35 -1.13 3.80 5.85 -1.39 -1.29 115.31 122.18 3kbn h LEU 375 Ca 0.18 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3kbn h LEU 375 Cb 0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3kbn h LEU 375 CO -0.02 0.25 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.16 3kbn h ASP 376 N 0.45 0.09 0.73 1.25 3.58 -0.69 -1.53 116.42 120.31 3kbn h ASP 376 Ca 0.17 -0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.40 3kbn h ASP 376 Cb 0.04 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3kbn h ASP 376 CO -0.09 0.47 -0.85 -0.61 -2.88 0.00 0.00 179.24 175.28 3kbn h GLN 377 N 0.08 0.08 -0.72 0.28 5.75 -0.55 -0.69 115.11 119.32 3kbn h GLN 377 Ca 0.01 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3kbn h GLN 377 Cb 0.72 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 3kbn h GLN 377 CO 0.05 0.88 0.38 -0.07 -2.65 0.00 0.00 178.83 177.42 3kbn h LEU 378 N 0.04 0.90 -0.66 -2.39 3.38 -0.84 0.07 115.31 115.81 3kbn h LEU 378 Ca -0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3kbn h LEU 378 Cb 1.48 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3kbn h LEU 378 CO 0.12 0.74 0.09 0.00 0.09 0.00 0.00 178.44 179.48 3kbn h ALA 379 N 1.41 0.88 -0.15 1.53 0.00 -0.98 -1.10 119.26 120.84 3kbn h ALA 379 Ca 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kbn h ALA 379 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kbn h ALA 379 CO -0.04 0.66 0.01 1.98 0.00 0.00 0.00 179.25 181.86 3kbn h MET 380 N 1.03 0.26 -0.88 0.00 1.85 -0.76 -0.64 114.93 115.80 3kbn h MET 380 Ca 0.20 -0.08 0.08 0.00 -0.61 0.00 0.00 59.70 59.29 3kbn h MET 380 Cb 0.46 -0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.40 3kbn h MET 380 CO 0.02 0.47 0.53 -0.44 -0.40 0.00 0.00 176.91 177.09 3kbn h ASP 381 N 0.02 0.81 -0.23 1.39 3.32 -0.88 -1.18 116.42 119.68 3kbn h ASP 381 Ca 0.04 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3kbn h ASP 381 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3kbn h ASP 381 CO 0.01 0.49 -0.01 0.45 -1.72 0.00 0.00 179.24 178.45 3kbn h HIS 382 N 0.93 0.46 -0.73 4.55 3.86 -0.99 0.89 115.15 124.14 3kbn h HIS 382 Ca 0.40 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.61 3kbn h HIS 382 Cb 0.27 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.56 3kbn h HIS 382 CO -0.04 0.61 0.39 1.25 0.86 0.00 0.00 177.93 181.01 3kbn h LEU 383 N 0.18 0.55 -0.57 2.43 5.85 -0.64 -2.38 115.31 120.74 3kbn h LEU 383 Ca 0.06 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kbn h LEU 383 Cb 0.44 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3kbn h LEU 383 CO 0.01 0.33 -0.02 0.18 -0.34 0.00 0.00 178.44 178.60 3kbn n LEU 384 N -4.81 0.90 -2.59 2.25 4.77 -0.49 -4.92 117.00 112.12 3kbn n LEU 384 Ca 0.11 -0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 55.63 3kbn n LEU 384 Cb 0.24 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3kbn n LEU 384 CO 0.27 0.15 0.11 0.61 -1.33 0.00 0.00 177.39 177.20 3kbn n GLY 385 N 1.13 -0.17 1.46 -0.72 0.00 -0.59 -4.93 105.19 101.38 3kbn n GLY 385 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3kbn n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbn n ALA 386 N -3.86 4.70 -1.96 4.61 0.00 0.21 -5.01 120.51 119.20 3kbn n ALA 386 Ca -0.03 -3.11 -0.35 0.00 0.00 0.00 0.00 53.44 49.95 3kbn n ALA 386 Cb 0.56 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 3kbn n ALA 386 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbn s ARG 387 N -3.28 4.32 0.00 0.00 1.81 -1.25 -4.91 118.95 115.63 3kbn s ARG 387 Ca 0.48 1.03 0.00 0.00 -1.72 0.00 0.00 55.73 55.52 3kbn s ARG 387 Cb 0.43 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 3kbn s ARG 387 CO 0.02 0.25 0.10 0.41 -0.68 0.00 0.00 175.30 175.41