#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kco s ASN 2 N 0.00 4.36 -0.43 3.17 3.04 -1.26 -5.10 114.94 118.72 3kco s ASN 2 Ca 0.00 -1.27 0.08 0.00 0.04 0.00 0.00 52.86 51.70 3kco s ASN 2 Cb 0.00 -0.03 0.25 0.00 -1.54 0.00 0.00 41.25 39.93 3kco s ASN 2 CO 0.00 -0.74 0.55 -1.22 -3.04 0.00 0.00 177.10 172.65 3kco n TYR 3 N -1.35 0.21 -3.19 0.43 4.01 -1.26 -5.08 117.16 110.93 3kco n TYR 3 Ca -0.06 -3.64 -0.39 0.00 -0.16 0.00 0.00 57.90 53.65 3kco n TYR 3 Cb 0.65 -0.37 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 3kco n TYR 3 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kco s GLN 4 N -1.34 4.29 0.37 -0.72 -1.52 -1.26 -4.72 119.66 114.77 3kco s GLN 4 Ca 0.36 0.58 -0.16 0.00 -1.95 0.00 0.00 55.36 54.19 3kco s GLN 4 Cb 0.16 -3.50 -0.09 0.00 -0.22 0.00 0.00 33.01 29.36 3kco s GLN 4 CO -0.10 -0.04 0.80 -1.25 -0.25 0.00 0.00 175.29 174.46 3kco s PRO 5 N 1.24 4.01 0.07 2.91 0.04 -1.26 -5.08 135.00 136.93 3kco s PRO 5 Ca 0.29 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.11 3kco s PRO 5 Cb -0.16 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 3kco s PRO 5 CO 0.12 0.06 -0.09 0.95 0.04 0.00 0.00 177.00 178.08 3kco s THR 6 N -2.12 0.73 0.64 1.26 -4.23 -1.25 -4.56 115.64 106.11 3kco s THR 6 Ca 0.56 -1.41 0.20 0.00 -1.18 0.00 0.00 61.69 59.86 3kco s THR 6 Cb -0.10 -1.05 0.24 0.00 1.34 0.00 0.00 72.50 72.93 3kco s THR 6 CO 0.19 -0.50 1.53 -0.65 -0.54 0.00 0.00 174.62 174.65 3kco h PRO 7 N 3.95 0.00 0.00 3.99 0.11 -1.74 0.40 132.00 138.71 3kco h PRO 7 Ca -0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3kco h PRO 7 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kco h PRO 7 CO 0.48 0.00 -0.14 1.49 -0.21 0.00 0.00 178.00 179.62 3kco h GLU 8 N 0.00 0.00 0.00 1.05 4.81 -1.94 -1.77 114.58 116.72 3kco h GLU 8 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kco h GLU 8 Cb 1.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.93 3kco h GLU 8 CO -0.00 0.14 0.00 -0.25 -0.73 0.00 0.00 179.01 178.17 3kco n ASP 9 N -3.77 0.00 -2.72 1.04 8.00 0.14 -4.90 116.55 114.34 3kco n ASP 9 Ca -0.02 0.41 -0.21 0.00 0.71 0.00 0.00 54.79 55.68 3kco n ASP 9 Cb 0.24 -0.45 0.02 0.00 -0.02 0.00 0.00 41.12 40.91 3kco n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kco n ARG 10 N -1.45 -3.81 -2.74 -1.24 5.12 -0.67 -4.69 116.66 107.18 3kco n ARG 10 Ca 0.05 0.91 -0.42 0.00 -1.93 0.00 0.00 57.85 56.45 3kco n ARG 10 Cb 0.17 -5.64 -0.03 0.00 -1.16 0.00 0.00 32.46 25.79 3kco n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3kco s PHE 11 N -3.11 3.59 0.15 -1.55 0.08 -1.26 -1.16 117.98 114.72 3kco s PHE 11 Ca 0.21 1.61 0.07 0.00 0.12 0.00 0.00 56.93 58.93 3kco s PHE 11 Cb -0.09 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 3kco s PHE 11 CO 0.25 -0.09 -0.15 0.95 -0.10 0.00 0.00 175.22 176.09 3kco s THR 12 N 1.40 1.52 -0.00 0.64 -4.23 -0.51 0.37 115.64 114.82 3kco s THR 12 Ca 0.49 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3kco s THR 12 Cb -0.20 -1.73 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 3kco s THR 12 CO 0.23 -0.45 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.49 3kco s PHE 13 N -2.35 0.12 0.40 3.99 0.40 -1.06 -0.94 117.98 118.53 3kco s PHE 13 Ca 0.14 -0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 56.21 3kco s PHE 13 Cb -0.04 -0.08 -0.09 0.00 0.51 0.00 0.00 43.02 43.32 3kco s PHE 13 CO 0.04 -0.00 1.02 0.20 0.70 0.00 0.00 175.22 177.18 3kco s GLY 14 N -0.02 2.67 0.48 4.36 0.00 -1.24 -1.98 107.32 111.59 3kco s GLY 14 Ca 0.00 0.62 0.13 0.00 0.00 0.00 0.00 44.72 45.47 3kco s GLY 14 CO -0.00 1.02 2.11 1.41 0.00 0.00 0.00 173.10 177.64 3kco h LEU 15 N 2.42 0.18 0.00 0.66 3.38 -1.66 -1.70 115.31 118.59 3kco h LEU 15 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3kco h LEU 15 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3kco h LEU 15 CO 0.62 0.13 0.00 -2.67 0.09 0.00 0.00 178.44 176.61 3kco n TRP 16 N -4.51 0.00 0.00 1.13 2.14 -1.26 -2.20 117.44 112.74 3kco n TRP 16 Ca -0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.56 3kco n TRP 16 Cb 0.08 -0.38 0.00 0.00 -0.81 0.00 0.00 31.31 30.20 3kco n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3kco n THR 17 N -1.38 0.00 0.31 -1.67 -2.24 -0.64 -2.57 114.28 106.09 3kco n THR 17 Ca 0.08 0.31 0.19 0.00 -2.27 0.00 0.00 64.05 62.35 3kco n THR 17 Cb 0.20 -0.96 1.00 0.00 -2.10 0.00 0.00 70.33 68.47 3kco n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3kco h VAL 18 N 0.00 0.22 -0.00 2.28 -1.51 -1.72 -1.33 116.25 114.19 3kco h VAL 18 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3kco h VAL 18 Cb 0.00 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3kco h VAL 18 CO 0.00 0.02 -0.07 0.61 -1.23 0.00 0.00 177.57 176.90 3kco n GLY 19 N -0.92 -0.89 3.64 5.19 0.00 -0.93 -4.89 105.19 106.39 3kco n GLY 19 Ca -0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3kco n GLY 19 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3kco n TRP 20 N -0.88 2.33 0.98 1.61 -0.00 -0.50 -4.61 117.44 116.37 3kco n TRP 20 Ca 0.16 -0.27 0.10 0.00 -0.00 0.00 0.00 57.50 57.50 3kco n TRP 20 Cb 0.25 -2.77 0.52 0.00 -0.00 0.00 0.00 31.31 29.32 3kco n TRP 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3kco n GLN 21 N 7.80 0.30 -0.39 5.87 6.02 -1.26 -4.90 117.38 130.81 3kco n GLN 21 Ca 0.23 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 3kco n GLN 21 Cb 0.40 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3kco n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kco n GLY 22 N 0.45 0.79 3.70 1.08 0.00 -1.26 -1.11 105.19 108.84 3kco n GLY 22 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kco n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kco s ARG 23 N -0.61 4.36 0.41 1.61 0.52 -1.26 -4.47 118.95 119.50 3kco s ARG 23 Ca 0.00 1.81 0.04 0.00 -0.52 0.00 0.00 55.73 57.06 3kco s ARG 23 Cb 0.00 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 3kco s ARG 23 CO 0.00 -0.42 0.14 -0.40 0.02 0.00 0.00 175.30 174.64 3kco n ASP 24 N 4.76 1.28 0.26 0.23 5.68 -0.89 -4.99 116.55 122.88 3kco n ASP 24 Ca 0.11 -3.15 0.13 0.00 -0.50 0.00 0.00 54.79 51.38 3kco n ASP 24 Cb 0.45 1.01 0.80 0.00 -1.14 0.00 0.00 41.12 42.24 3kco n ASP 24 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3kco h PRO 25 N 0.00 0.00 -0.19 0.11 0.11 -2.01 -2.77 132.00 127.24 3kco h PRO 25 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kco h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kco h PRO 25 CO 0.50 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.48 3kco n PHE 26 N -4.11 0.42 -3.52 0.65 3.72 -1.26 -5.06 117.46 108.31 3kco n PHE 26 Ca -0.02 -0.68 -0.12 0.00 -0.05 0.00 0.00 57.45 56.57 3kco n PHE 26 Cb 0.13 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 3kco n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kco s GLY 27 N -1.55 -0.48 0.67 1.37 0.00 -1.05 -5.16 107.32 101.12 3kco s GLY 27 Ca 0.25 0.38 -0.05 0.00 0.00 0.00 0.00 44.72 45.29 3kco s GLY 27 CO 0.08 0.07 0.97 0.99 0.00 0.00 0.00 173.10 175.21 3kco s ASP 28 N -2.56 4.94 0.48 1.64 1.01 -1.26 -2.10 116.67 118.81 3kco s ASP 28 Ca -0.00 0.39 -0.24 0.00 0.71 0.00 0.00 52.55 53.41 3kco s ASP 28 Cb -0.00 -1.10 -0.07 0.00 1.01 0.00 0.00 42.92 42.75 3kco s ASP 28 CO -0.10 -1.49 1.42 0.00 0.21 0.00 0.00 175.17 175.21 3kco s ALA 29 N -3.15 3.12 -0.83 5.23 0.00 -1.26 -4.36 121.76 120.50 3kco s ALA 29 Ca 0.59 1.45 0.07 0.00 0.00 0.00 0.00 51.96 54.08 3kco s ALA 29 Cb -0.11 -3.60 0.09 0.00 0.00 0.00 0.00 23.12 19.51 3kco s ALA 29 CO 0.44 -1.29 0.83 0.25 0.00 0.00 0.00 175.76 175.99 3kco n THR 30 N -0.46 0.24 -3.93 0.00 -2.24 -0.26 -4.93 114.28 102.69 3kco n THR 30 Ca 0.07 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 3kco n THR 30 Cb 0.42 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 3kco n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kco s ARG 31 N -0.70 0.27 0.77 -0.78 0.52 -0.92 -4.97 118.95 113.14 3kco s ARG 31 Ca 0.10 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.79 3kco s ARG 31 Cb 0.06 0.10 0.05 0.00 0.52 0.00 0.00 34.95 35.69 3kco s ARG 31 CO 0.09 -0.05 1.09 -0.98 0.02 0.00 0.00 175.30 175.47 3kco s ARG 32 N -1.08 2.30 0.50 3.54 1.70 -1.26 -4.73 118.95 119.92 3kco s ARG 32 Ca -0.12 0.74 -0.21 0.00 -0.47 0.00 0.00 55.73 55.68 3kco s ARG 32 Cb -0.07 -1.93 -0.07 0.00 -0.57 0.00 0.00 34.95 32.30 3kco s ARG 32 CO -0.00 -1.50 1.11 0.00 -1.08 0.00 0.00 175.30 173.83 3kco s ALA 33 N -3.11 2.83 -0.08 7.88 0.00 -1.26 -4.86 121.76 123.16 3kco s ALA 33 Ca 0.60 0.79 -0.07 0.00 0.00 0.00 0.00 51.96 53.28 3kco s ALA 33 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3kco s ALA 33 CO 0.55 -0.59 0.19 -0.51 0.00 0.00 0.00 175.76 175.39 3kco s LEU 34 N -3.45 4.39 -0.05 0.00 1.43 -1.26 -5.06 118.68 114.68 3kco s LEU 34 Ca 0.68 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 3kco s LEU 34 Cb -0.23 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 3kco s LEU 34 CO 0.27 0.36 1.08 -0.62 0.23 0.00 0.00 176.35 177.68 3kco s ASP 35 N -1.24 7.19 0.52 2.29 2.15 -1.26 -4.89 116.67 121.43 3kco s ASP 35 Ca 0.19 1.70 0.31 0.00 0.43 0.00 0.00 52.55 55.18 3kco s ASP 35 Cb -0.13 -2.56 1.44 0.00 -0.30 0.00 0.00 42.92 41.37 3kco s ASP 35 CO 0.09 -0.46 1.84 -0.65 -0.17 0.00 0.00 175.17 175.81 3kco h PRO 36 N 7.13 0.07 -0.35 4.34 0.11 -1.97 0.18 132.00 141.50 3kco h PRO 36 Ca -0.35 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3kco h PRO 36 Cb 1.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3kco h PRO 36 CO 0.84 0.05 -0.18 0.28 -0.21 0.00 0.00 178.00 178.78 3kco h VAL 37 N 0.07 1.26 -0.18 3.15 2.07 -1.93 -1.72 116.25 118.97 3kco h VAL 37 Ca 0.51 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.67 3kco h VAL 37 Cb 1.90 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3kco h VAL 37 CO -0.05 0.40 -0.49 -0.08 0.02 0.00 0.00 177.57 177.37 3kco h GLU 38 N 0.59 0.49 -0.54 1.57 4.81 -1.03 -2.58 114.58 117.88 3kco h GLU 38 Ca 0.09 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 3kco h GLU 38 Cb 0.64 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3kco h GLU 38 CO 0.04 0.87 -0.05 0.77 -0.73 0.00 0.00 179.01 179.92 3kco h SER 39 N 0.38 0.95 -0.46 1.04 0.02 -1.13 -1.15 113.55 113.21 3kco h SER 39 Ca 0.02 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3kco h SER 39 Cb 1.00 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 3kco h SER 39 CO 0.09 1.03 0.14 0.58 -1.14 0.00 0.00 176.83 177.53 3kco h VAL 40 N 0.88 1.22 -0.39 2.27 2.07 -1.11 -1.23 116.25 119.96 3kco h VAL 40 Ca 0.15 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3kco h VAL 40 Cb 0.58 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kco h VAL 40 CO 0.03 0.27 0.02 0.03 0.02 0.00 0.00 177.57 177.94 3kco h ARG 41 N 0.60 0.68 -0.44 1.57 3.08 -1.33 -2.05 114.38 116.49 3kco h ARG 41 Ca 0.15 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3kco h ARG 41 Cb 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3kco h ARG 41 CO -0.00 0.77 0.12 0.00 -1.07 0.00 0.00 179.97 179.78 3kco h ARG 42 N 0.52 0.70 -0.45 0.04 2.47 -1.09 -2.07 114.38 114.49 3kco h ARG 42 Ca 0.11 -0.16 -0.09 0.00 -1.26 0.00 0.00 59.98 58.58 3kco h ARG 42 Cb 0.45 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3kco h ARG 42 CO 0.02 0.70 -0.10 -0.07 0.56 0.00 0.00 179.97 181.07 3kco h LEU 43 N 0.58 0.79 -0.58 3.04 3.38 -1.23 -2.60 115.31 118.70 3kco h LEU 43 Ca 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kco h LEU 43 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kco h LEU 43 CO -0.00 0.92 0.36 0.00 0.09 0.00 0.00 178.44 179.81 3kco h ALA 44 N 1.16 0.74 -0.55 1.53 0.00 -1.19 -1.58 119.26 119.37 3kco h ALA 44 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kco h ALA 44 Cb 0.58 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3kco h ALA 44 CO 0.04 0.21 0.37 0.93 0.00 0.00 0.00 179.25 180.79 3kco h GLU 45 N 0.79 0.62 0.00 0.00 5.08 -1.05 -1.99 114.58 118.04 3kco h GLU 45 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3kco h GLU 45 Cb -0.04 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3kco h GLU 45 CO -0.04 0.41 0.00 1.28 -1.00 0.00 0.00 179.01 179.66 3kco n LEU 46 N -4.47 0.00 0.00 1.33 4.77 -0.64 -4.89 117.00 113.10 3kco n LEU 46 Ca 0.06 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3kco n LEU 46 Cb 0.13 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kco n LEU 46 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3kco n GLY 47 N 0.96 0.83 3.75 -0.72 0.00 -0.75 -4.72 105.19 104.55 3kco n GLY 47 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3kco n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kco s ALA 48 N -2.07 2.17 -0.13 4.61 0.00 -0.92 -2.84 121.76 122.59 3kco s ALA 48 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 3kco s ALA 48 Cb 0.00 -3.32 -0.24 0.00 0.00 0.00 0.00 23.12 19.56 3kco s ALA 48 CO 0.00 -1.82 0.30 1.58 0.00 0.00 0.00 175.76 175.82 3kco n HIS 49 N -3.35 0.92 -3.73 0.00 -0.00 0.16 -4.45 115.22 104.77 3kco n HIS 49 Ca 0.10 0.22 -0.01 0.00 -0.00 0.00 0.00 57.72 58.03 3kco n HIS 49 Cb 0.52 -1.13 0.01 0.00 -0.00 0.00 0.00 29.99 29.40 3kco n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3kco n GLY 50 N 1.94 0.83 3.31 1.57 0.00 -1.17 -2.24 105.19 109.45 3kco n GLY 50 Ca -0.32 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 3kco n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kco s VAL 51 N -2.25 1.02 0.22 1.61 -7.23 -0.25 -2.57 120.40 110.96 3kco s VAL 51 Ca 0.14 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 3kco s VAL 51 Cb -0.02 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 3kco s VAL 51 CO 0.03 -0.39 -0.04 0.42 -0.31 0.00 0.00 175.10 174.81 3kco s THR 52 N -3.43 1.21 0.09 5.32 -4.23 -0.84 -3.96 115.64 109.80 3kco s THR 52 Ca 0.27 -2.07 -0.21 0.00 -1.18 0.00 0.00 61.69 58.50 3kco s THR 52 Cb 0.05 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.71 3kco s THR 52 CO 0.07 -0.43 0.50 0.72 -0.54 0.00 0.00 174.62 174.95 3kco s PHE 53 N -3.30 -0.39 0.16 3.99 -0.71 -1.23 -1.50 117.98 115.00 3kco s PHE 53 Ca 0.26 0.28 -0.02 0.00 -1.04 0.00 0.00 56.93 56.41 3kco s PHE 53 Cb 0.04 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 3kco s PHE 53 CO 0.07 -0.70 0.37 -1.01 -1.34 0.00 0.00 175.22 172.61 3kco s HIS 54 N -3.07 3.48 0.22 3.49 3.76 -1.26 -1.39 115.29 120.52 3kco s HIS 54 Ca -0.02 0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 3kco s HIS 54 Cb -0.00 -1.91 0.31 0.00 1.11 0.00 0.00 32.58 32.09 3kco s HIS 54 CO -0.07 0.42 1.65 0.38 -0.85 0.00 0.00 174.74 176.27 3kco h ASP 55 N 2.45 -0.39 0.32 1.40 2.03 -1.80 -0.50 116.42 119.93 3kco h ASP 55 Ca -0.47 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 3kco h ASP 55 Cb 1.18 0.32 0.00 0.00 -0.83 0.00 0.00 39.33 40.00 3kco h ASP 55 CO 0.71 -0.16 0.00 0.47 -1.03 0.00 0.00 179.24 179.23 3kco n ASP 56 N -5.34 0.00 0.06 4.15 8.00 -1.26 -1.59 116.55 120.57 3kco n ASP 56 Ca 0.09 0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.59 3kco n ASP 56 Cb 0.37 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 3kco n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kco h ASP 57 N 0.00 0.34 0.06 -2.24 3.32 -1.47 -3.39 116.42 113.03 3kco h ASP 57 Ca 0.00 -0.47 -0.28 0.00 0.02 0.00 0.00 57.03 56.30 3kco h ASP 57 Cb 0.16 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3kco h ASP 57 CO 0.00 1.39 -1.52 0.25 -1.72 0.00 0.00 179.24 177.64 3kco h LEU 58 N 0.06 0.19 -8.07 1.55 5.85 -1.49 -3.46 115.31 109.94 3kco h LEU 58 Ca -0.23 -0.71 -0.68 0.00 0.84 0.00 0.00 57.88 57.11 3kco h LEU 58 Cb 2.00 -0.06 -0.32 0.00 0.37 0.00 0.00 40.66 42.64 3kco h LEU 58 CO 0.16 1.63 -0.71 -0.63 -0.34 0.00 0.00 178.44 178.54 3kco s ILE 59 N -2.44 2.98 0.28 4.05 1.01 -0.62 -4.86 121.20 121.61 3kco s ILE 59 Ca -0.25 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 58.82 3kco s ILE 59 Cb 0.06 -2.66 -0.14 0.00 0.01 0.00 0.00 42.46 39.73 3kco s ILE 59 CO 0.67 -0.03 1.19 -2.65 0.00 0.00 0.00 174.94 174.12 3kco n PRO 60 N 4.64 1.69 -1.67 2.79 -0.02 -1.26 -4.25 135.00 136.92 3kco n PRO 60 Ca -0.14 0.59 -0.45 0.00 -2.02 0.00 0.00 63.50 61.48 3kco n PRO 60 Cb 0.44 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3kco n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kco n PHE 61 N 0.73 2.17 -0.81 6.00 -0.00 -1.26 -1.38 117.46 122.91 3kco n PHE 61 Ca 0.09 0.41 0.00 0.00 -0.00 0.00 0.00 57.45 57.95 3kco n PHE 61 Cb 0.32 -2.47 0.00 0.00 -0.00 0.00 0.00 39.48 37.33 3kco n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kco n GLY 62 N 2.36 0.72 3.76 7.13 0.00 -1.26 -5.02 105.19 112.88 3kco n GLY 62 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3kco n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kco s SER 63 N -2.40 5.77 1.08 1.61 0.01 -0.48 -5.01 113.70 114.28 3kco s SER 63 Ca 0.00 2.64 -0.16 0.00 1.31 0.00 0.00 55.95 59.73 3kco s SER 63 Cb 0.00 -2.63 0.23 0.00 0.21 0.00 0.00 66.02 63.83 3kco s SER 63 CO 0.00 -1.22 1.16 -0.94 0.41 0.00 0.00 173.24 172.65 3kco s SER 64 N -0.97 2.04 0.38 2.44 1.04 -1.26 -4.79 113.70 112.57 3kco s SER 64 Ca 0.65 0.68 0.16 0.00 0.48 0.00 0.00 55.95 57.92 3kco s SER 64 Cb -0.37 -0.99 0.76 0.00 0.10 0.00 0.00 66.02 65.52 3kco s SER 64 CO 0.45 -3.44 1.81 0.44 0.98 0.00 0.00 173.24 173.48 3kco h ASP 65 N -2.11 0.00 0.04 7.02 5.19 -1.99 -1.80 116.42 122.76 3kco h ASP 65 Ca -0.47 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3kco h ASP 65 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3kco h ASP 65 CO 0.43 0.37 -0.02 0.77 -3.12 0.00 0.00 179.24 177.67 3kco h SER 66 N 0.00 -0.04 -0.65 6.45 4.64 -1.99 -2.20 113.55 119.75 3kco h SER 66 Ca -0.00 -0.65 0.06 0.00 -0.47 0.00 0.00 61.79 60.73 3kco h SER 66 Cb 0.73 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 3kco h SER 66 CO 0.05 0.68 0.36 -0.33 -0.87 0.00 0.00 176.83 176.72 3kco h GLU 67 N -0.83 0.64 -0.24 4.77 5.08 -1.93 -0.98 114.58 121.11 3kco h GLU 67 Ca -0.01 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3kco h GLU 67 Cb 0.69 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3kco h GLU 67 CO 0.01 0.42 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.19 3kco h ARG 68 N 0.66 -0.14 -0.97 2.33 2.43 -1.39 -0.21 114.38 117.09 3kco h ARG 68 Ca 0.29 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.54 3kco h ARG 68 Cb 0.19 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 3kco h ARG 68 CO -0.18 -0.09 0.63 1.49 -1.51 0.00 0.00 179.97 180.30 3kco h GLU 69 N -0.15 1.10 -0.34 0.20 4.81 -0.56 -2.25 114.58 117.39 3kco h GLU 69 Ca 0.13 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3kco h GLU 69 Cb 0.35 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3kco h GLU 69 CO -0.33 0.73 -0.20 0.93 -0.73 0.00 0.00 179.01 179.41 3kco h GLU 70 N 1.13 0.74 -0.95 1.92 5.08 -0.11 -2.09 114.58 120.31 3kco h GLU 70 Ca 0.42 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3kco h GLU 70 Cb 0.17 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3kco h GLU 70 CO -0.16 0.95 0.62 0.45 -1.00 0.00 0.00 179.01 179.88 3kco h HIS 71 N 0.52 1.17 -0.34 4.33 3.86 -0.67 -0.69 115.15 123.33 3kco h HIS 71 Ca 0.07 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 3kco h HIS 71 Cb 0.75 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3kco h HIS 71 CO 0.06 0.68 -0.42 0.28 0.86 0.00 0.00 177.93 179.40 3kco h VAL 72 N 1.22 1.28 -0.52 2.45 2.07 -1.34 -2.08 116.25 119.32 3kco h VAL 72 Ca 0.37 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3kco h VAL 72 Cb -0.02 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3kco h VAL 72 CO -0.11 0.52 0.17 0.50 0.02 0.00 0.00 177.57 178.67 3kco h LYS 73 N 0.68 0.81 -0.51 1.57 3.64 -0.84 0.17 116.57 122.09 3kco h LYS 73 Ca 0.05 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3kco h LYS 73 Cb 0.99 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 3kco h LYS 73 CO 0.10 0.74 0.32 0.00 -2.27 0.00 0.00 179.45 178.34 3kco h ARG 74 N 0.72 0.68 -0.57 1.90 3.08 -1.08 -1.12 114.38 117.99 3kco h ARG 74 Ca 0.17 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3kco h ARG 74 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3kco h ARG 74 CO -0.01 0.48 -0.04 0.35 -1.07 0.00 0.00 179.97 179.68 3kco h PHE 75 N 0.69 1.15 -0.75 3.04 3.57 -1.05 -2.73 116.94 120.86 3kco h PHE 75 Ca 0.19 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3kco h PHE 75 Cb -0.04 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 3kco h PHE 75 CO -0.03 1.03 0.43 -0.09 -2.23 0.00 0.00 178.31 177.42 3kco h ARG 76 N 0.93 1.03 -0.60 1.11 9.65 -0.30 -2.13 114.38 124.07 3kco h ARG 76 Ca 0.16 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 58.84 3kco h ARG 76 Cb 0.60 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3kco h ARG 76 CO 0.04 0.75 0.03 0.37 2.80 0.00 0.00 179.97 183.96 3kco h GLN 77 N 1.03 1.04 -0.98 0.20 5.75 -1.07 -1.32 115.11 119.76 3kco h GLN 77 Ca 0.26 -0.32 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3kco h GLN 77 Cb 0.01 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.39 3kco h GLN 77 CO -0.05 1.01 0.64 0.00 -2.65 0.00 0.00 178.83 177.78 3kco h ALA 78 N 0.99 1.30 -0.43 3.38 0.00 -1.18 0.11 119.26 123.45 3kco h ALA 78 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kco h ALA 78 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kco h ALA 78 CO 0.02 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.69 3kco h LEU 79 N 1.22 0.76 -0.65 0.00 3.38 -1.10 -2.13 115.31 116.80 3kco h LEU 79 Ca 0.39 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3kco h LEU 79 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kco h LEU 79 CO -0.13 0.90 0.20 0.44 0.09 0.00 0.00 178.44 179.94 3kco h ASP 80 N 0.60 0.95 0.88 -0.43 3.32 -0.48 0.16 116.42 121.42 3kco h ASP 80 Ca 0.12 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3kco h ASP 80 Cb 0.53 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kco h ASP 80 CO 0.03 0.91 -0.20 0.44 -1.72 0.00 0.00 179.24 178.69 3kco h ASP 81 N 0.94 0.00 0.00 6.45 3.32 -0.67 -3.31 116.42 123.15 3kco h ASP 81 Ca 0.21 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3kco h ASP 81 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3kco h ASP 81 CO -0.01 0.20 -1.78 0.35 -1.72 0.00 0.00 179.24 176.29 3kco n THR 82 N -3.39 0.34 -0.71 0.35 -2.24 -0.81 -4.99 114.28 102.81 3kco n THR 82 Ca -0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3kco n THR 82 Cb 0.41 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3kco n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kco n GLY 83 N 1.83 0.65 3.78 3.38 0.00 0.54 -5.03 105.19 110.33 3kco n GLY 83 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3kco n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kco s MET 84 N -0.29 3.93 0.41 1.61 -1.94 -1.16 -4.99 119.30 116.87 3kco s MET 84 Ca 0.00 1.66 0.08 0.00 -1.71 0.00 0.00 55.69 55.71 3kco s MET 84 Cb 0.00 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 3kco s MET 84 CO 0.00 -0.38 0.30 0.15 -0.01 0.00 0.00 175.02 175.08 3kco s LYS 85 N -2.63 2.44 -0.46 2.03 -0.14 -0.95 -4.79 119.74 115.24 3kco s LYS 85 Ca 0.61 -1.62 0.02 0.00 -1.36 0.00 0.00 55.97 53.62 3kco s LYS 85 Cb -0.26 -2.25 0.14 0.00 -1.68 0.00 0.00 37.83 33.79 3kco s LYS 85 CO 0.31 -0.14 0.26 0.08 -0.76 0.00 0.00 175.35 175.11 3kco s VAL 86 N -2.50 1.48 -0.71 3.17 1.01 -1.26 -1.08 120.40 120.50 3kco s VAL 86 Ca 0.45 -2.71 0.25 0.00 0.00 0.00 0.00 61.98 59.97 3kco s VAL 86 Cb -0.01 -2.03 0.19 0.00 0.00 0.00 0.00 36.38 34.53 3kco s VAL 86 CO 0.26 -0.92 1.60 -2.65 0.00 0.00 0.00 175.10 173.39 3kco n PRO 87 N 3.37 0.26 -3.83 2.72 -0.02 -1.25 -2.53 135.00 133.71 3kco n PRO 87 Ca 0.11 0.16 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 3kco n PRO 87 Cb 0.35 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 3kco n PRO 87 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3kco s MET 88 N -3.12 0.48 0.11 -0.52 -2.45 -1.26 -1.58 119.30 110.96 3kco s MET 88 Ca 0.09 -0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.26 3kco s MET 88 Cb 0.13 0.21 -0.03 0.00 1.25 0.00 0.00 34.83 36.39 3kco s MET 88 CO 0.64 -0.12 0.10 0.00 1.05 0.00 0.00 175.02 176.69 3kco s ALA 89 N -1.12 0.43 0.33 4.11 0.00 -1.03 -3.57 121.76 120.91 3kco s ALA 89 Ca -0.12 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 3kco s ALA 89 Cb -0.06 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3kco s ALA 89 CO 0.02 -0.49 0.61 -0.08 0.00 0.00 0.00 175.76 175.82 3kco s THR 90 N -3.97 0.00 0.09 0.00 -1.32 -0.49 -1.50 115.64 108.45 3kco s THR 90 Ca 0.15 -1.29 0.06 0.00 -1.21 0.00 0.00 61.69 59.41 3kco s THR 90 Cb 0.06 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 3kco s THR 90 CO -0.04 0.00 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.40 3kco s THR 91 N -3.13 3.47 -0.55 5.08 2.01 -1.26 -2.33 115.64 118.94 3kco s THR 91 Ca 0.21 -1.16 -0.19 0.00 0.31 0.00 0.00 61.69 60.87 3kco s THR 91 Cb -0.03 -2.60 0.08 0.00 0.01 0.00 0.00 72.50 69.96 3kco s THR 91 CO 0.13 0.16 0.64 0.21 -0.69 0.00 0.00 174.62 175.07 3kco s ASN 92 N -2.08 6.20 -0.31 3.53 3.84 -1.26 -4.85 114.94 120.00 3kco s ASN 92 Ca 0.21 -1.24 0.07 0.00 0.21 0.00 0.00 52.86 52.12 3kco s ASN 92 Cb -0.11 -2.28 0.46 0.00 -0.55 0.00 0.00 41.25 38.77 3kco s ASN 92 CO 0.13 -0.97 1.34 0.18 -2.79 0.00 0.00 177.10 174.99 3kco n LEU 93 N 6.12 4.57 0.00 3.21 4.77 -1.26 -4.71 117.00 129.70 3kco n LEU 93 Ca -0.09 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 51.57 3kco n LEU 93 Cb 0.44 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3kco n LEU 93 CO 0.55 1.72 -0.06 2.22 -1.33 0.00 0.00 177.39 180.50 3kco n PHE 94 N -0.91 0.00 -0.04 -1.77 1.16 -1.26 -4.52 117.46 110.12 3kco n PHE 94 Ca 0.38 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.85 3kco n PHE 94 Cb 0.89 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.66 3kco n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 3kco h THR 95 N 0.00 1.39 -3.50 1.97 2.02 -1.93 -3.46 112.91 109.39 3kco h THR 95 Ca 0.00 -1.81 -0.53 0.00 0.77 0.00 0.00 66.41 64.83 3kco h THR 95 Cb 0.07 2.52 0.08 0.00 -1.74 0.00 0.00 68.15 69.09 3kco h THR 95 CO 0.00 0.43 0.82 -2.28 0.37 0.00 0.00 175.52 174.86 3kco s HIS 96 N -2.67 2.80 0.62 3.16 2.46 -1.26 -4.88 115.29 115.52 3kco s HIS 96 Ca -0.15 0.95 0.28 0.00 0.47 0.00 0.00 55.06 56.61 3kco s HIS 96 Cb -0.01 -3.98 1.44 0.00 -0.13 0.00 0.00 32.58 29.90 3kco s HIS 96 CO 0.58 -3.15 1.84 -1.35 -2.47 0.00 0.00 174.74 170.18 3kco h PRO 97 N 4.43 0.00 0.00 2.88 0.11 -2.02 -0.64 132.00 136.75 3kco h PRO 97 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3kco h PRO 97 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kco h PRO 97 CO 0.75 0.00 -0.09 -0.24 -0.21 0.00 0.00 178.00 178.22 3kco h VAL 98 N 0.00 0.64 -0.52 3.15 3.04 -1.97 -2.10 116.25 118.49 3kco h VAL 98 Ca 0.13 -0.35 -0.10 0.00 -1.01 0.00 0.00 66.70 65.36 3kco h VAL 98 Cb 1.08 1.22 -0.06 0.00 -2.01 0.00 0.00 31.29 31.51 3kco h VAL 98 CO -0.00 0.08 0.13 0.49 -1.01 0.00 0.00 177.57 177.26 3kco n PHE 99 N -3.83 1.77 0.29 3.17 3.72 -0.25 -4.56 117.46 117.78 3kco n PHE 99 Ca -0.02 -0.80 0.15 0.00 -0.05 0.00 0.00 57.45 56.72 3kco n PHE 99 Cb 0.18 -0.51 0.89 0.00 -0.94 0.00 0.00 39.48 39.10 3kco n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kco h LYS 100 N 2.40 0.00 -0.19 -1.08 2.10 -1.54 -1.39 116.57 116.88 3kco h LYS 100 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3kco h LYS 100 Cb 1.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 3kco h LYS 100 CO 0.50 0.01 0.00 -3.47 -2.00 0.00 0.00 179.45 174.49 3kco n ASP 101 N -3.86 2.95 0.00 7.07 2.03 -1.26 -5.03 116.55 118.45 3kco n ASP 101 Ca -0.03 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.75 3kco n ASP 101 Cb 0.09 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 3kco n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kco n GLY 102 N -0.37 1.04 0.51 0.27 0.00 -0.52 -3.86 105.19 102.26 3kco n GLY 102 Ca 0.13 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3kco n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kco n GLY 103 N -0.71 0.07 0.20 -0.02 0.00 -1.26 -4.34 105.19 99.12 3kco n GLY 103 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3kco n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kco h PHE 104 N 0.00 0.00 -0.13 1.61 0.04 -1.90 -3.22 116.94 113.35 3kco h PHE 104 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3kco h PHE 104 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kco h PHE 104 CO 0.00 0.32 -0.06 0.25 -0.60 0.00 0.00 178.31 178.21 3kco n THR 105 N -3.63 2.14 -1.94 -1.55 -2.24 -1.26 -4.46 114.28 101.34 3kco n THR 105 Ca -0.01 -2.31 -0.39 0.00 -2.27 0.00 0.00 64.05 59.08 3kco n THR 105 Cb 0.43 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3kco n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kco s ALA 106 N -2.95 3.01 0.32 6.98 0.00 -1.21 -4.85 121.76 123.06 3kco s ALA 106 Ca 0.38 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.63 3kco s ALA 106 Cb 0.33 -3.52 0.56 0.00 0.00 0.00 0.00 23.12 20.49 3kco s ALA 106 CO 0.03 -1.09 1.83 -0.91 0.00 0.00 0.00 175.76 175.62 3kco h ASN 107 N 1.97 0.44 -2.87 0.00 2.35 -1.93 -3.41 115.58 112.12 3kco h ASN 107 Ca -0.50 -0.11 -0.57 0.00 -0.55 0.00 0.00 56.30 54.57 3kco h ASN 107 Cb 1.27 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 3kco h ASN 107 CO 0.60 0.59 0.92 -1.81 -1.65 0.00 0.00 177.43 176.08 3kco s ASP 108 N -6.78 6.91 0.27 5.81 1.01 -1.26 -4.92 116.67 117.71 3kco s ASP 108 Ca -0.07 1.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.92 3kco s ASP 108 Cb 0.15 -2.54 0.37 0.00 1.01 0.00 0.00 42.92 41.91 3kco s ASP 108 CO 0.77 -0.78 1.85 -0.09 0.21 0.00 0.00 175.17 177.13 3kco h ARG 109 N 8.36 0.95 -0.18 8.23 2.43 -2.00 -2.54 114.38 129.63 3kco h ARG 109 Ca -0.28 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.67 3kco h ARG 109 Cb 1.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3kco h ARG 109 CO 0.97 0.78 -0.18 0.38 -1.51 0.00 0.00 179.97 180.41 3kco h ASP 110 N 0.93 0.29 -0.49 -3.80 2.03 -1.95 -1.62 116.42 111.81 3kco h ASP 110 Ca 0.22 -0.07 -0.12 0.00 -0.73 0.00 0.00 57.03 56.32 3kco h ASP 110 Cb 0.19 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 3kco h ASP 110 CO -0.02 0.49 -0.18 0.58 -1.03 0.00 0.00 179.24 179.08 3kco h VAL 111 N 0.28 1.27 -0.65 4.15 2.07 -1.84 -1.76 116.25 119.76 3kco h VAL 111 Ca 0.05 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 3kco h VAL 111 Cb 0.49 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3kco h VAL 111 CO 0.03 0.47 0.25 0.03 0.02 0.00 0.00 177.57 178.37 3kco h ARG 112 N 0.84 0.96 -0.38 1.57 3.08 -0.98 -0.80 114.38 118.66 3kco h ARG 112 Ca 0.11 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3kco h ARG 112 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3kco h ARG 112 CO 0.06 0.78 -0.34 0.00 -1.07 0.00 0.00 179.97 179.40 3kco h ARG 113 N 0.94 0.87 -0.45 0.04 3.08 -1.13 -2.77 114.38 114.96 3kco h ARG 113 Ca 0.22 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3kco h ARG 113 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3kco h ARG 113 CO -0.02 1.07 0.18 -0.92 -1.07 0.00 0.00 179.97 179.22 3kco h TYR 114 N 0.72 0.67 -0.93 3.04 3.20 -0.92 -2.30 116.97 120.45 3kco h TYR 114 Ca 0.07 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3kco h TYR 114 Cb 0.91 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 3kco h TYR 114 CO 0.05 0.57 0.61 0.00 -1.64 0.00 0.00 178.16 177.76 3kco h ALA 115 N 1.03 1.42 -0.14 1.82 0.00 -1.07 -1.46 119.26 120.86 3kco h ALA 115 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kco h ALA 115 Cb 0.18 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kco h ALA 115 CO -0.01 0.48 -0.03 -0.07 0.00 0.00 0.00 179.25 179.61 3kco h LEU 116 N 1.15 0.28 -1.14 0.00 3.38 -1.25 -2.12 115.31 115.61 3kco h LEU 116 Ca 0.37 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kco h LEU 116 Cb 0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3kco h LEU 116 CO -0.12 0.58 0.59 0.03 0.09 0.00 0.00 178.44 179.61 3kco h ARG 117 N -0.03 1.13 -0.48 1.13 2.47 -1.06 -0.91 114.38 116.63 3kco h ARG 117 Ca 0.04 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 3kco h ARG 117 Cb 0.46 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 3kco h ARG 117 CO 0.01 0.74 -0.13 -0.22 0.56 0.00 0.00 179.97 180.94 3kco h LYS 118 N 1.16 0.90 -0.23 0.04 3.64 -1.20 -1.97 116.57 118.90 3kco h LYS 118 Ca 0.34 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3kco h LYS 118 Cb -0.06 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3kco h LYS 118 CO -0.09 0.97 -0.22 1.15 -2.27 0.00 0.00 179.45 178.99 3kco h THR 119 N 0.80 1.32 -0.69 1.00 2.02 -0.90 -2.93 112.91 113.52 3kco h THR 119 Ca 0.13 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 3kco h THR 119 Cb 0.66 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 3kco h THR 119 CO 0.05 0.43 0.42 0.40 0.37 0.00 0.00 175.52 177.19 3kco h ILE 120 N 0.25 1.20 -0.78 3.11 2.04 -1.07 -0.36 117.51 121.90 3kco h ILE 120 Ca 0.04 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3kco h ILE 120 Cb 0.77 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3kco h ILE 120 CO 0.06 0.21 0.49 -0.09 0.00 0.00 0.00 178.15 178.81 3kco h ARG 121 N 0.94 0.90 0.00 2.37 2.43 -1.38 -2.25 114.38 117.40 3kco h ARG 121 Ca 0.25 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3kco h ARG 121 Cb -0.03 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3kco h ARG 121 CO -0.05 0.60 -0.34 -0.97 -1.51 0.00 0.00 179.97 177.70 3kco h ASN 122 N 0.93 0.00 -0.50 -3.80 -1.24 -1.21 -3.11 115.58 106.65 3kco h ASN 122 Ca 0.32 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.26 3kco h ASN 122 Cb 0.06 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 3kco h ASN 122 CO -0.13 0.34 0.04 0.40 -1.29 0.00 0.00 177.43 176.79 3kco h ILE 123 N 0.00 1.26 -0.77 2.57 2.04 -0.51 0.45 117.51 122.55 3kco h ILE 123 Ca -0.00 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.87 3kco h ILE 123 Cb 1.12 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3kco h ILE 123 CO 0.04 0.36 0.50 0.44 0.00 0.00 0.00 178.15 179.49 3kco h ASP 124 N 0.73 0.84 -0.48 1.72 3.32 -1.41 -1.38 116.42 119.76 3kco h ASP 124 Ca 0.15 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3kco h ASP 124 Cb 0.46 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3kco h ASP 124 CO 0.02 0.59 0.02 0.25 -1.72 0.00 0.00 179.24 178.40 3kco h LEU 125 N 0.99 0.82 -0.58 1.55 5.85 -1.40 -2.03 115.31 120.50 3kco h LEU 125 Ca 0.30 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kco h LEU 125 Cb -0.04 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3kco h LEU 125 CO -0.09 0.91 0.35 0.00 -0.34 0.00 0.00 178.44 179.27 3kco h ALA 126 N 0.94 0.75 -0.61 1.25 0.00 -0.38 -1.16 119.26 120.05 3kco h ALA 126 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kco h ALA 126 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kco h ALA 126 CO 0.02 0.08 0.13 0.28 0.00 0.00 0.00 179.25 179.76 3kco h VAL 127 N 0.70 1.25 -0.97 0.00 2.07 -1.18 -1.40 116.25 116.72 3kco h VAL 127 Ca 0.24 -0.94 0.10 0.00 0.82 0.00 0.00 66.70 66.92 3kco h VAL 127 Cb 0.03 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 3kco h VAL 127 CO -0.10 0.35 0.61 -0.08 0.02 0.00 0.00 177.57 178.37 3kco h GLU 128 N 0.89 0.98 -0.00 1.57 4.81 -0.69 -1.38 114.58 120.76 3kco h GLU 128 Ca 0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kco h GLU 128 Cb 0.38 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3kco h GLU 128 CO 0.01 0.65 -0.12 1.28 -0.73 0.00 0.00 179.01 180.10 3kco n LEU 129 N -4.61 0.19 0.00 1.64 4.77 -0.50 -4.94 117.00 113.55 3kco n LEU 129 Ca 0.17 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3kco n LEU 129 Cb 0.30 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3kco n LEU 129 CO 0.28 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3kco n GLY 130 N 1.42 0.86 3.75 -0.72 0.00 -0.52 -4.59 105.19 105.39 3kco n GLY 130 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kco n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kco s ALA 131 N -2.04 3.66 -0.27 4.61 0.00 -0.59 -4.77 121.76 122.36 3kco s ALA 131 Ca 0.00 1.39 0.22 0.00 0.00 0.00 0.00 51.96 53.57 3kco s ALA 131 Cb 0.00 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 19.37 3kco s ALA 131 CO 0.00 -0.80 0.76 0.39 0.00 0.00 0.00 175.76 176.10 3kco n GLU 132 N 2.28 0.52 -4.51 0.00 1.02 -0.62 -4.61 120.64 114.73 3kco n GLU 132 Ca 0.07 -0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3kco n GLU 132 Cb 0.39 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 3kco n GLU 132 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kco s THR 133 N -3.38 1.13 -0.23 2.62 2.01 -0.97 -2.28 115.64 114.54 3kco s THR 133 Ca -0.03 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3kco s THR 133 Cb 0.13 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.71 3kco s THR 133 CO 0.86 0.16 -0.10 -0.47 -0.69 0.00 0.00 174.62 174.38 3kco s TYR 134 N -0.59 2.81 0.21 4.92 5.04 0.64 -2.48 117.35 127.90 3kco s TYR 134 Ca 0.04 -1.97 -0.16 0.00 -2.44 0.00 0.00 57.07 52.54 3kco s TYR 134 Cb -0.07 -1.77 -0.08 0.00 0.35 0.00 0.00 41.96 40.40 3kco s TYR 134 CO 0.00 -0.82 0.65 0.08 -1.34 0.00 0.00 175.55 174.13 3kco s VAL 135 N 1.26 4.71 -0.21 3.14 1.01 -0.56 -1.48 120.40 128.28 3kco s VAL 135 Ca -0.06 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 3kco s VAL 135 Cb -0.18 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3kco s VAL 135 CO -0.07 0.15 -0.01 0.00 0.00 0.00 0.00 175.10 175.18 3kco s ALA 136 N -1.58 1.46 -0.38 5.51 0.00 -0.10 -4.18 121.76 122.48 3kco s ALA 136 Ca 0.43 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 3kco s ALA 136 Cb -0.15 -1.29 0.07 0.00 0.00 0.00 0.00 23.12 21.75 3kco s ALA 136 CO 0.20 -1.17 0.18 -0.46 0.00 0.00 0.00 175.76 174.51 3kco s TRP 137 N 1.64 3.36 -1.54 0.00 -0.00 -1.26 -1.53 118.94 119.61 3kco s TRP 137 Ca -0.03 -1.71 -0.11 0.00 -0.00 0.00 0.00 56.10 54.25 3kco s TRP 137 Cb -0.18 -2.75 -0.02 0.00 -0.00 0.00 0.00 33.47 30.52 3kco s TRP 137 CO -0.07 -0.84 2.67 0.41 -0.00 0.00 0.00 176.95 179.12 3kco n GLY 138 N 4.80 4.41 0.34 5.86 0.00 -1.26 -4.73 105.19 114.61 3kco n GLY 138 Ca -0.09 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.46 3kco n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kco h GLY 139 N 7.70 0.30 -1.55 -0.02 0.00 -1.92 -2.17 103.07 105.41 3kco h GLY 139 Ca 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3kco h GLY 139 CO 1.78 0.06 0.00 0.54 0.00 0.00 0.00 176.54 178.92 3kco n ARG 140 N -4.46 2.16 -2.68 4.80 5.12 -1.26 -4.10 116.66 116.24 3kco n ARG 140 Ca 0.07 -1.68 -0.42 0.00 -1.93 0.00 0.00 57.85 53.89 3kco n ARG 140 Cb 0.37 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.18 3kco n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3kco s GLU 141 N -1.99 3.47 0.00 5.56 0.41 -0.82 -2.93 118.70 122.41 3kco s GLU 141 Ca 0.31 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.96 3kco s GLU 141 Cb 0.20 -4.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 3kco s GLU 141 CO 0.31 -1.58 0.00 0.41 -0.49 0.00 0.00 175.26 173.91 3kco n GLY 142 N 5.06 -0.54 3.61 -1.39 0.00 -1.26 -1.45 105.19 109.22 3kco n GLY 142 Ca 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 3kco n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kco s ALA 143 N -1.00 -1.81 -0.06 4.61 0.00 -0.76 -4.87 121.76 117.87 3kco s ALA 143 Ca 0.00 0.69 0.14 0.00 0.00 0.00 0.00 51.96 52.79 3kco s ALA 143 Cb 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 23.12 23.37 3kco s ALA 143 CO 0.00 -0.85 0.22 0.39 0.00 0.00 0.00 175.76 175.53 3kco n GLU 144 N -0.34 0.93 -4.25 0.00 4.71 -1.26 -1.91 120.64 118.52 3kco n GLU 144 Ca -0.07 -0.09 -0.18 0.00 -0.01 0.00 0.00 57.16 56.82 3kco n GLU 144 Cb 0.61 -1.36 -0.11 0.00 -1.01 0.00 0.00 31.44 29.58 3kco n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kco s SER 145 N -4.09 2.03 0.27 1.62 1.04 -1.26 -4.93 113.70 108.39 3kco s SER 145 Ca -0.06 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 3kco s SER 145 Cb 0.08 -0.07 0.38 0.00 0.10 0.00 0.00 66.02 66.51 3kco s SER 145 CO 0.60 -0.17 1.81 1.23 0.98 0.00 0.00 173.24 177.69 3kco h GLY 146 N 3.34 0.89 1.00 7.32 0.00 -1.95 -3.23 103.07 110.43 3kco h GLY 146 Ca -0.39 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.41 3kco h GLY 146 CO 0.53 0.49 -0.30 0.61 0.00 0.00 0.00 176.54 177.87 3kco n GLY 147 N -0.81 -1.12 0.20 4.60 0.00 -1.26 -4.11 105.19 102.70 3kco n GLY 147 Ca 0.04 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.81 3kco n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kco h ALA 148 N 3.24 1.20 -3.30 4.61 0.00 -1.99 -3.43 119.26 119.59 3kco h ALA 148 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 54.91 54.23 3kco h ALA 148 Cb 0.48 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.83 3kco h ALA 148 CO 0.00 0.41 -0.75 0.21 0.00 0.00 0.00 179.25 179.12 3kco s LYS 149 N -3.95 0.07 -0.45 0.00 2.47 -1.26 -4.99 119.74 111.63 3kco s LYS 149 Ca -0.02 0.32 -0.24 0.00 -1.56 0.00 0.00 55.97 54.47 3kco s LYS 149 Cb 0.13 -0.62 0.03 0.00 -1.46 0.00 0.00 37.83 35.91 3kco s LYS 149 CO 0.68 -0.33 0.84 0.34 0.16 0.00 0.00 175.35 177.05 3kco s ASP 150 N 2.13 6.45 0.31 1.43 -1.08 -1.26 -4.92 116.67 119.73 3kco s ASP 150 Ca 0.05 0.00 0.01 0.00 -0.52 0.00 0.00 52.55 52.09 3kco s ASP 150 Cb -0.12 -2.41 0.51 0.00 -1.46 0.00 0.00 42.92 39.44 3kco s ASP 150 CO -0.04 -0.96 1.90 0.58 0.52 0.00 0.00 175.17 177.18 3kco h VAL 151 N 6.01 1.20 -0.39 1.11 2.07 -1.98 -0.53 116.25 123.74 3kco h VAL 151 Ca -0.24 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3kco h VAL 151 Cb 1.08 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3kco h VAL 151 CO 0.98 0.24 0.13 0.03 0.02 0.00 0.00 177.57 178.98 3kco h ARG 152 N 0.79 0.60 -0.52 1.57 3.08 -1.99 0.87 114.38 118.77 3kco h ARG 152 Ca 0.19 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3kco h ARG 152 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3kco h ARG 152 CO -0.02 0.59 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.02 3kco h ASP 153 N 0.48 0.86 -0.83 7.04 3.32 -1.92 -1.63 116.42 123.75 3kco h ASP 153 Ca 0.13 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3kco h ASP 153 Cb 0.23 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3kco h ASP 153 CO -0.01 0.93 0.40 0.00 -1.72 0.00 0.00 179.24 178.84 3kco h ALA 154 N 1.16 1.13 0.00 3.45 0.00 -0.68 -0.82 119.26 123.50 3kco h ALA 154 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3kco h ALA 154 Cb 0.50 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kco h ALA 154 CO 0.03 0.66 -0.41 -0.07 0.00 0.00 0.00 179.25 179.45 3kco h LEU 155 N 1.19 0.00 -0.44 0.00 3.38 -0.47 0.33 115.31 119.29 3kco h LEU 155 Ca 0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 3kco h LEU 155 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kco h LEU 155 CO -0.04 0.41 -0.17 0.44 0.09 0.00 0.00 178.44 179.18 3kco h ASP 156 N 0.00 0.92 -0.27 -0.43 3.32 -0.31 -1.72 116.42 117.91 3kco h ASP 156 Ca -0.00 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 3kco h ASP 156 Cb 0.76 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3kco h ASP 156 CO 0.05 1.09 -0.27 0.03 -1.72 0.00 0.00 179.24 178.42 3kco h ARG 157 N 0.73 0.77 -0.58 3.56 2.47 -0.67 -0.94 114.38 119.72 3kco h ARG 157 Ca 0.10 -0.34 -0.05 0.00 -1.26 0.00 0.00 59.98 58.43 3kco h ARG 157 Cb 0.73 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 3kco h ARG 157 CO 0.06 0.96 0.16 1.98 0.56 0.00 0.00 179.97 183.68 3kco h MET 158 N 0.66 0.92 -0.40 0.04 4.05 -0.80 -0.98 114.93 118.43 3kco h MET 158 Ca 0.08 -0.21 -0.14 0.00 -0.28 0.00 0.00 59.70 59.15 3kco h MET 158 Cb 0.80 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 3kco h MET 158 CO 0.07 0.84 -0.30 -0.22 0.23 0.00 0.00 176.91 177.53 3kco h LYS 159 N 0.83 0.91 -0.29 0.39 3.64 -1.23 -2.07 116.57 118.74 3kco h LYS 159 Ca 0.19 -0.44 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3kco h LYS 159 Cb 0.32 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3kco h LYS 159 CO -0.00 1.10 0.18 1.49 -2.27 0.00 0.00 179.45 179.94 3kco h GLU 160 N 0.72 0.36 0.08 1.90 4.81 -0.94 -0.13 114.58 121.39 3kco h GLU 160 Ca 0.07 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kco h GLU 160 Cb 0.88 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3kco h GLU 160 CO 0.08 0.24 -0.04 0.00 -0.73 0.00 0.00 179.01 178.55 3kco h ALA 161 N 1.12 -0.11 -0.69 2.92 0.00 -1.06 -1.59 119.26 119.84 3kco h ALA 161 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kco h ALA 161 Cb -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kco h ALA 161 CO -0.04 -0.57 0.23 0.74 0.00 0.00 0.00 179.25 179.61 3kco h PHE 162 N -0.12 1.09 -0.74 0.00 0.04 -1.24 -1.95 116.94 114.03 3kco h PHE 162 Ca -0.01 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 3kco h PHE 162 Cb 0.09 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 3kco h PHE 162 CO -0.08 0.86 0.34 -0.44 -0.60 0.00 0.00 178.31 178.39 3kco h ASP 163 N 1.02 0.98 -0.65 2.17 3.32 -0.89 -1.04 116.42 121.33 3kco h ASP 163 Ca 0.23 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3kco h ASP 163 Cb 0.27 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3kco h ASP 163 CO -0.01 0.85 0.27 -0.07 -1.72 0.00 0.00 179.24 178.56 3kco h LEU 164 N 1.04 0.89 -1.02 1.55 3.38 -0.92 0.34 115.31 120.57 3kco h LEU 164 Ca 0.25 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3kco h LEU 164 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kco h LEU 164 CO -0.03 0.81 -0.08 -0.07 0.09 0.00 0.00 178.44 179.16 3kco h LEU 165 N 0.91 0.60 -0.57 1.67 3.38 -1.00 -0.77 115.31 119.52 3kco h LEU 165 Ca 0.22 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kco h LEU 165 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kco h LEU 165 CO -0.02 0.72 -0.01 1.23 0.09 0.00 0.00 178.44 180.45 3kco h GLY 166 N 0.94 1.10 1.41 0.83 0.00 -0.69 -0.49 103.07 106.18 3kco h GLY 166 Ca 0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 3kco h GLY 166 CO 0.03 0.75 0.01 -2.09 0.00 0.00 0.00 176.54 175.24 3kco h GLU 167 N 0.90 0.72 0.06 4.80 4.81 -0.46 -1.80 114.58 123.60 3kco h GLU 167 Ca 0.16 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kco h GLU 167 Cb 0.56 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3kco h GLU 167 CO 0.03 0.73 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.09 3kco h TYR 168 N 0.68 -0.07 -0.12 0.92 3.20 -0.69 -1.66 116.97 119.24 3kco h TYR 168 Ca 0.14 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3kco h TYR 168 Cb 0.40 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3kco h TYR 168 CO 0.02 0.28 -0.07 0.28 -1.64 0.00 0.00 178.16 177.03 3kco h VAL 169 N -0.43 0.79 0.00 1.81 2.07 -1.02 -1.23 116.25 118.24 3kco h VAL 169 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3kco h VAL 169 Cb 0.38 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3kco h VAL 169 CO 0.01 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 178.16 3kco h THR 170 N -0.06 1.00 0.00 2.57 1.35 -1.35 -1.43 112.91 114.98 3kco h THR 170 Ca 0.07 -0.54 -0.17 0.00 -0.55 0.00 0.00 66.41 65.22 3kco h THR 170 Cb 0.16 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 3kco h THR 170 CO -0.16 0.15 -0.80 0.77 -0.25 0.00 0.00 175.52 175.23 3kco h SER 171 N 0.00 0.00 0.76 5.36 4.64 -0.54 -3.16 113.55 120.61 3kco h SER 171 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kco h SER 171 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3kco h SER 171 CO 0.02 0.80 -0.41 0.00 -0.87 0.00 0.00 176.83 176.37 3kco n GLN 172 N -3.34 0.10 -2.08 4.77 1.13 -0.54 -4.93 117.38 112.49 3kco n GLN 172 Ca 0.01 0.04 -0.06 0.00 -1.94 0.00 0.00 57.00 55.04 3kco n GLN 172 Cb 0.84 -1.57 -0.00 0.00 0.11 0.00 0.00 30.24 29.62 3kco n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kco n GLY 173 N 1.44 0.15 3.80 1.08 0.00 -0.60 -5.01 105.19 106.06 3kco n GLY 173 Ca 0.05 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3kco n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kco s TYR 174 N -2.29 3.08 -0.86 1.61 2.02 -0.82 -4.97 117.35 115.13 3kco s TYR 174 Ca 0.00 1.58 0.01 0.00 -0.37 0.00 0.00 57.07 58.29 3kco s TYR 174 Cb 0.00 -3.01 0.29 0.00 -0.40 0.00 0.00 41.96 38.85 3kco s TYR 174 CO 0.00 -0.65 1.22 -0.25 -1.57 0.00 0.00 175.55 174.30 3kco n ASP 175 N -0.91 5.43 -3.98 2.29 10.43 -1.26 -4.78 116.55 123.77 3kco n ASP 175 Ca 0.09 -3.50 -0.14 0.00 2.57 0.00 0.00 54.79 53.80 3kco n ASP 175 Cb 0.53 -0.96 -0.13 0.00 1.84 0.00 0.00 41.12 42.39 3kco n ASP 175 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3kco s ILE 176 N -3.13 0.38 0.27 0.53 2.07 -1.26 -4.77 121.20 115.28 3kco s ILE 176 Ca 0.37 -0.47 0.11 0.00 -1.41 0.00 0.00 60.65 59.26 3kco s ILE 176 Cb 0.13 -0.37 -0.05 0.00 0.13 0.00 0.00 42.46 42.30 3kco s ILE 176 CO 0.00 -0.07 -0.18 -0.13 -1.91 0.00 0.00 174.94 172.66 3kco s ARG 177 N -0.58 1.63 0.07 3.50 0.52 -0.97 -4.99 118.95 118.14 3kco s ARG 177 Ca -0.03 -1.75 0.02 0.00 -0.52 0.00 0.00 55.73 53.45 3kco s ARG 177 Cb -0.04 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 3kco s ARG 177 CO -0.00 0.28 0.12 -0.06 0.02 0.00 0.00 175.30 175.66 3kco s PHE 178 N -2.61 3.29 -0.06 -0.53 0.08 0.04 -0.26 117.98 117.94 3kco s PHE 178 Ca 0.29 0.14 -0.02 0.00 0.12 0.00 0.00 56.93 57.46 3kco s PHE 178 Cb -0.04 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3kco s PHE 178 CO 0.14 0.54 0.04 0.00 -0.10 0.00 0.00 175.22 175.84 3kco s ALA 179 N -1.41 0.43 -0.10 5.36 0.00 -0.55 -0.09 121.76 125.40 3kco s ALA 179 Ca 0.31 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 3kco s ALA 179 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3kco s ALA 179 CO 0.23 -0.50 0.59 0.42 0.00 0.00 0.00 175.76 176.50 3kco s ILE 180 N 2.09 5.11 -0.32 0.00 1.01 -0.50 -0.92 121.20 127.67 3kco s ILE 180 Ca 0.05 1.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 3kco s ILE 180 Cb -0.12 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3kco s ILE 180 CO -0.04 0.27 0.20 -0.70 0.00 0.00 0.00 174.94 174.67 3kco s GLU 181 N 0.83 3.51 0.47 2.79 2.12 -0.58 -0.87 118.70 126.97 3kco s GLU 181 Ca 0.31 -0.62 -0.06 0.00 0.36 0.00 0.00 54.97 54.96 3kco s GLU 181 Cb -0.16 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 3kco s GLU 181 CO 0.14 -0.39 0.79 -1.25 -0.54 0.00 0.00 175.26 174.00 3kco s PRO 182 N 1.69 3.57 -0.28 4.30 0.05 -1.26 -4.39 135.00 138.69 3kco s PRO 182 Ca 0.06 0.25 -0.19 0.00 0.05 0.00 0.00 61.00 61.17 3kco s PRO 182 Cb -0.17 -2.37 0.09 0.00 0.05 0.00 0.00 34.50 32.10 3kco s PRO 182 CO 0.09 -0.19 0.76 0.21 0.05 0.00 0.00 177.00 177.92 3kco s LYS 183 N -4.63 0.68 0.16 4.56 2.20 -1.21 -4.72 119.74 116.78 3kco s LYS 183 Ca 0.48 1.05 -0.01 0.00 -0.36 0.00 0.00 55.97 57.12 3kco s LYS 183 Cb -0.10 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 3kco s LYS 183 CO 0.43 -0.12 1.39 -1.00 -0.36 0.00 0.00 175.35 175.69 3kco h PRO 184 N 6.20 0.36 -2.67 4.03 0.13 -1.65 -3.39 132.00 135.01 3kco h PRO 184 Ca -0.29 -0.34 0.12 0.00 -0.87 0.00 0.00 66.00 64.62 3kco h PRO 184 Cb 1.20 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 3kco h PRO 184 CO 0.14 1.00 0.37 0.54 -0.23 0.00 0.00 178.00 179.81 3kco s ASN 185 N -6.99 -0.19 -0.05 1.44 2.20 -1.26 -1.60 114.94 108.48 3kco s ASN 185 Ca -0.05 -0.56 -0.03 0.00 -0.94 0.00 0.00 52.86 51.27 3kco s ASN 185 Cb 0.10 0.62 0.01 0.00 -2.00 0.00 0.00 41.25 39.98 3kco s ASN 185 CO 0.84 -1.15 0.07 1.21 -2.94 0.00 0.00 177.10 175.13 3kco n GLU 186 N -0.48 -1.26 0.02 3.55 2.13 -1.26 -4.84 120.64 118.50 3kco n GLU 186 Ca -0.05 1.31 0.11 0.00 0.66 0.00 0.00 57.16 59.19 3kco n GLU 186 Cb 0.60 -2.12 -0.05 0.00 0.27 0.00 0.00 31.44 30.14 3kco n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3kco n PRO 187 N 0.46 0.38 -2.62 5.31 -0.04 -1.26 -5.04 135.00 132.20 3kco n PRO 187 Ca -0.12 -0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 3kco n PRO 187 Cb 0.18 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 3kco n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kco s ARG 188 N -3.27 3.81 0.33 0.54 1.81 -1.26 -4.97 118.95 115.95 3kco s ARG 188 Ca 0.01 0.64 0.04 0.00 -1.72 0.00 0.00 55.73 54.70 3kco s ARG 188 Cb 0.14 -2.28 0.67 0.00 -0.45 0.00 0.00 34.95 33.03 3kco s ARG 188 CO 0.84 -0.16 1.91 0.78 -0.68 0.00 0.00 175.30 177.99 3kco h GLY 189 N 0.97 1.19 -5.85 -3.53 0.00 -1.86 -3.41 103.07 90.58 3kco h GLY 189 Ca -0.47 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.35 3kco h GLY 189 CO 0.63 0.22 -0.41 0.99 0.00 0.00 0.00 176.54 177.96 3kco s ASP 190 N -6.01 -0.35 -0.04 0.19 1.01 -0.80 -4.68 116.67 105.98 3kco s ASP 190 Ca -0.11 0.65 -0.02 0.00 0.71 0.00 0.00 52.55 53.79 3kco s ASP 190 Cb 0.20 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.64 3kco s ASP 190 CO 0.79 -0.17 0.07 -0.63 0.21 0.00 0.00 175.17 175.43 3kco s ILE 191 N 1.24 4.73 0.40 0.77 1.01 -0.63 -1.82 121.20 126.91 3kco s ILE 191 Ca -0.09 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 3kco s ILE 191 Cb -0.09 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 3kco s ILE 191 CO -0.09 0.46 1.16 -0.76 0.00 0.00 0.00 174.94 175.70 3kco s LEU 192 N -1.41 4.19 -0.94 2.97 1.43 -0.53 -3.43 118.68 120.97 3kco s LEU 192 Ca 0.19 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.57 3kco s LEU 192 Cb -0.12 -4.03 -0.06 0.00 0.03 0.00 0.00 46.19 42.02 3kco s LEU 192 CO 0.09 -0.66 0.83 0.18 0.23 0.00 0.00 176.35 177.03 3kco n LEU 193 N 0.08 -5.55 0.28 1.79 4.77 -1.26 -4.79 117.00 112.31 3kco n LEU 193 Ca 0.04 -0.58 0.16 0.00 -0.03 0.00 0.00 56.01 55.60 3kco n LEU 193 Cb 0.47 -3.05 0.78 0.00 -2.33 0.00 0.00 43.42 39.29 3kco n LEU 193 CO 0.50 -0.06 1.00 1.55 -1.33 0.00 0.00 177.39 179.05 3kco h PRO 194 N -0.81 0.00 -4.70 3.23 0.13 -1.74 -3.31 132.00 124.80 3kco h PRO 194 Ca -0.49 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 3kco h PRO 194 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 3kco h PRO 194 CO 0.39 0.07 -0.60 0.95 -0.23 0.00 0.00 178.00 178.59 3kco s THR 195 N -3.94 0.10 0.34 1.56 -4.23 -1.26 -2.12 115.64 106.09 3kco s THR 195 Ca -0.02 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.57 3kco s THR 195 Cb 0.11 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.75 3kco s THR 195 CO 0.54 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.06 3kco h VAL 196 N 2.49 0.84 -0.18 2.29 2.07 -1.92 -2.18 116.25 119.66 3kco h VAL 196 Ca -0.35 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3kco h VAL 196 Cb 1.25 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3kco h VAL 196 CO 0.52 0.14 0.08 1.23 0.02 0.00 0.00 177.57 179.55 3kco h GLY 197 N 0.75 0.28 1.29 2.17 0.00 -1.96 -0.97 103.07 104.63 3kco h GLY 197 Ca 0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 3kco h GLY 197 CO -0.23 0.14 0.24 0.45 0.00 0.00 0.00 176.54 177.14 3kco h HIS 198 N 0.14 0.91 -0.31 5.60 -0.00 -1.79 -1.53 115.15 118.17 3kco h HIS 198 Ca 0.06 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 3kco h HIS 198 Cb 0.15 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 3kco h HIS 198 CO -0.02 0.71 -0.00 0.00 -0.00 0.00 0.00 177.93 178.62 3kco h ALA 199 N 1.37 0.42 -0.87 2.45 0.00 -1.25 -2.03 119.26 119.35 3kco h ALA 199 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kco h ALA 199 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3kco h ALA 199 CO -0.02 0.18 0.45 -0.07 0.00 0.00 0.00 179.25 179.79 3kco h LEU 200 N 0.35 1.11 -0.49 0.00 3.38 -0.82 -1.83 115.31 117.03 3kco h LEU 200 Ca 0.09 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3kco h LEU 200 Cb 0.45 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kco h LEU 200 CO 0.02 0.91 0.03 0.00 0.09 0.00 0.00 178.44 179.49 3kco h ALA 201 N 1.25 0.65 -0.58 1.53 0.00 -1.20 -3.07 119.26 117.84 3kco h ALA 201 Ca 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kco h ALA 201 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kco h ALA 201 CO -0.04 0.43 0.28 0.35 0.00 0.00 0.00 179.25 180.27 3kco h PHE 202 N 0.70 0.83 -0.64 0.00 3.57 -1.12 -2.82 116.94 117.47 3kco h PHE 202 Ca 0.14 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.72 3kco h PHE 202 Cb 0.47 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3kco h PHE 202 CO 0.04 0.63 0.43 0.82 -2.23 0.00 0.00 178.31 178.00 3kco h ILE 203 N 0.79 0.85 0.00 1.41 2.04 -1.24 -0.14 117.51 121.22 3kco h ILE 203 Ca 0.20 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3kco h ILE 203 Cb 0.11 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3kco h ILE 203 CO -0.03 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 177.57 3kco n GLU 204 N -4.46 0.26 -0.04 2.37 -0.58 -1.06 -2.25 120.64 114.87 3kco n GLU 204 Ca 0.11 0.12 0.08 0.00 -0.42 0.00 0.00 57.16 57.05 3kco n GLU 204 Cb 0.44 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.90 3kco n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kco n ARG 205 N -1.27 1.49 -1.94 3.49 5.12 -0.06 -4.99 116.66 118.50 3kco n ARG 205 Ca 0.08 -1.60 -0.31 0.00 -1.93 0.00 0.00 57.85 54.10 3kco n ARG 205 Cb 0.13 -1.32 0.01 0.00 -1.16 0.00 0.00 32.46 30.12 3kco n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kco s LEU 206 N -1.27 3.23 0.26 0.55 1.43 -0.95 -4.98 118.68 116.94 3kco s LEU 206 Ca 0.21 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3kco s LEU 206 Cb 0.14 -4.36 0.34 0.00 0.03 0.00 0.00 46.19 42.34 3kco s LEU 206 CO 0.20 -0.89 1.66 -0.33 0.23 0.00 0.00 176.35 177.22 3kco h GLU 207 N -0.31 0.45 -2.26 1.70 4.39 -1.92 -3.33 114.58 113.30 3kco h GLU 207 Ca -0.44 -0.20 -0.59 0.00 0.34 0.00 0.00 59.36 58.46 3kco h GLU 207 Cb 1.20 -0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.43 3kco h GLU 207 CO 0.62 0.74 -0.74 0.54 -1.16 0.00 0.00 179.01 179.01 3kco n ARG 208 N -4.06 1.86 -0.08 2.33 1.74 -1.26 -4.96 116.66 112.23 3kco n ARG 208 Ca -0.01 -4.20 0.25 0.00 -0.77 0.00 0.00 57.85 53.12 3kco n ARG 208 Cb 0.47 -1.96 0.72 0.00 -1.02 0.00 0.00 32.46 30.66 3kco n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kco h PRO 209 N 4.35 0.00 -0.10 5.56 0.11 -1.79 -2.35 132.00 137.78 3kco h PRO 209 Ca 0.16 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.30 3kco h PRO 209 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kco h PRO 209 CO 0.70 0.00 0.09 1.05 -0.21 0.00 0.00 178.00 179.64 3kco h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -2.14 114.58 120.66 3kco h GLU 210 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3kco h GLU 210 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.58 3kco h GLU 210 CO -0.00 0.00 -0.16 1.28 0.05 0.00 0.00 179.01 180.18 3kco n LEU 211 N -4.11 0.24 -4.36 3.06 4.77 -0.88 -4.88 117.00 110.84 3kco n LEU 211 Ca -0.00 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 3kco n LEU 211 Cb 0.20 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 3kco n LEU 211 CO 0.30 0.05 -0.51 -0.31 -1.33 0.00 0.00 177.39 175.60 3kco s TYR 212 N -2.84 2.55 0.00 -1.77 1.51 -0.81 -0.78 117.35 115.21 3kco s TYR 212 Ca 0.18 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 3kco s TYR 212 Cb 0.19 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 3kco s TYR 212 CO 0.56 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 3kco n GLY 213 N 2.67 5.16 3.27 0.71 0.00 0.88 -4.97 105.19 112.90 3kco n GLY 213 Ca -0.17 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 3kco n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kco s VAL 214 N -0.98 1.67 -0.64 1.61 0.11 -0.19 -1.41 120.40 120.57 3kco s VAL 214 Ca 0.00 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 57.63 3kco s VAL 214 Cb 0.00 -1.51 0.18 0.00 -1.53 0.00 0.00 36.38 33.52 3kco s VAL 214 CO 0.00 -0.02 0.48 -3.20 -3.33 0.00 0.00 175.10 169.03 3kco n ASN 215 N 1.23 2.34 -4.79 3.54 5.15 -0.05 -3.20 115.26 119.48 3kco n ASN 215 Ca -0.19 -3.06 -0.34 0.00 -0.60 0.00 0.00 54.58 50.40 3kco n ASN 215 Cb 0.54 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 3kco n ASN 215 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3kco s PRO 216 N -1.23 3.39 -0.06 1.20 0.02 -1.26 -4.28 135.00 132.78 3kco s PRO 216 Ca 0.27 1.36 0.04 0.00 0.02 0.00 0.00 61.00 62.69 3kco s PRO 216 Cb -0.01 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3kco s PRO 216 CO -0.17 -0.77 -0.17 -2.00 -0.33 0.00 0.00 177.00 173.56 3kco s GLU 217 N -3.67 2.07 0.13 5.54 2.12 -1.26 -1.02 118.70 122.61 3kco s GLU 217 Ca 0.67 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 3kco s GLU 217 Cb -0.18 -1.69 -0.08 0.00 0.26 0.00 0.00 34.13 32.43 3kco s GLU 217 CO 0.31 0.16 1.49 0.28 -0.54 0.00 0.00 175.26 176.95 3kco h VAL 218 N 5.61 0.00 -0.55 3.70 2.07 -1.78 -2.40 116.25 122.90 3kco h VAL 218 Ca -0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kco h VAL 218 Cb 1.19 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3kco h VAL 218 CO 0.47 0.00 0.34 1.23 0.02 0.00 0.00 177.57 179.63 3kco h GLY 219 N -0.21 0.79 0.98 2.17 0.00 -1.86 -2.93 103.07 102.00 3kco h GLY 219 Ca 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3kco h GLY 219 CO -0.66 0.31 0.12 0.45 0.00 0.00 0.00 176.54 176.76 3kco h HIS 220 N 0.76 0.24 -0.18 5.60 3.86 -1.78 -0.58 115.15 123.07 3kco h HIS 220 Ca 0.20 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.31 3kco h HIS 220 Cb -0.04 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3kco h HIS 220 CO 0.00 0.18 -0.32 0.93 0.86 0.00 0.00 177.93 179.58 3kco h GLU 221 N 0.23 0.36 0.00 2.45 4.39 -1.52 -2.35 114.58 118.15 3kco h GLU 221 Ca 0.07 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3kco h GLU 221 Cb 0.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3kco h GLU 221 CO -0.01 0.65 0.00 1.96 -1.16 0.00 0.00 179.01 180.44 3kco h GLN 222 N 0.31 0.00 0.00 2.33 4.20 -1.27 -1.72 115.11 118.96 3kco h GLN 222 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3kco h GLN 222 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3kco h GLN 222 CO 0.06 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.89 3kco n MET 223 N -2.89 0.01 -0.13 1.46 2.81 -0.26 -1.49 117.12 116.63 3kco n MET 223 Ca 0.01 0.15 0.04 0.00 -1.81 0.00 0.00 57.70 56.10 3kco n MET 223 Cb 0.31 -1.52 0.12 0.00 -0.71 0.00 0.00 33.22 31.42 3kco n MET 223 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kco n ALA 224 N -1.51 2.17 -1.29 3.04 0.00 -0.71 -4.73 120.51 117.47 3kco n ALA 224 Ca 0.05 -1.08 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 3kco n ALA 224 Cb 0.24 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 3kco n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kco n GLY 225 N 0.33 1.13 3.91 0.00 0.00 -0.56 -5.00 105.19 104.99 3kco n GLY 225 Ca 0.09 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3kco n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kco s LEU 226 N -2.31 3.65 -0.53 0.99 1.43 -0.84 -4.99 118.68 116.08 3kco s LEU 226 Ca 0.00 0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 53.78 3kco s LEU 226 Cb 0.00 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.37 3kco s LEU 226 CO 0.00 -0.56 0.99 0.21 0.23 0.00 0.00 176.35 177.22 3kco s ASN 227 N -4.05 6.41 0.09 2.29 3.84 -1.26 -4.27 114.94 117.99 3kco s ASN 227 Ca 0.47 -0.13 -0.27 0.00 0.21 0.00 0.00 52.86 53.15 3kco s ASN 227 Cb -0.10 -2.47 -0.13 0.00 -0.55 0.00 0.00 41.25 38.00 3kco s ASN 227 CO 0.44 -1.24 1.67 0.15 -2.79 0.00 0.00 177.10 175.33 3kco h PHE 228 N 9.30 -0.47 -0.82 0.43 3.57 -1.91 -2.28 116.94 124.76 3kco h PHE 228 Ca -0.25 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.41 3kco h PHE 228 Cb 1.07 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 3kco h PHE 228 CO 0.93 -0.28 0.54 -1.35 -2.23 0.00 0.00 178.31 175.92 3kco h PRO 229 N -0.42 0.45 -0.54 6.41 0.11 -1.92 0.27 132.00 136.36 3kco h PRO 229 Ca -0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3kco h PRO 229 Cb 0.38 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3kco h PRO 229 CO -0.01 0.30 -0.04 0.45 -0.21 0.00 0.00 178.00 178.49 3kco h HIS 230 N 0.46 1.03 -0.25 0.65 3.86 -1.88 -0.58 115.15 118.45 3kco h HIS 230 Ca 0.41 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 59.33 3kco h HIS 230 Cb 0.91 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 3kco h HIS 230 CO -0.00 0.94 -0.33 0.78 0.86 0.00 0.00 177.93 180.18 3kco h GLY 231 N 0.98 0.56 1.38 2.45 0.00 -0.46 -2.23 103.07 105.75 3kco h GLY 231 Ca 0.15 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 3kco h GLY 231 CO 0.03 0.46 -0.49 -2.22 0.00 0.00 0.00 176.54 174.32 3kco h ILE 232 N 0.44 1.30 -0.68 2.60 1.08 -0.84 -2.00 117.51 119.42 3kco h ILE 232 Ca 0.05 -1.70 0.01 0.00 -0.39 0.00 0.00 64.86 62.84 3kco h ILE 232 Cb 0.78 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 3kco h ILE 232 CO 0.06 0.54 0.45 0.00 -0.69 0.00 0.00 178.15 178.51 3kco h ALA 233 N 0.93 0.86 -0.38 1.87 0.00 -0.85 -0.26 119.26 121.43 3kco h ALA 233 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kco h ALA 233 Cb 1.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3kco h ALA 233 CO 0.10 0.27 -0.19 0.37 0.00 0.00 0.00 179.25 179.80 3kco h GLN 234 N 0.91 0.73 -0.34 0.00 4.15 -1.19 0.86 115.11 120.23 3kco h GLN 234 Ca 0.25 -0.27 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 3kco h GLN 234 Cb -0.09 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3kco h GLN 234 CO -0.06 0.87 -0.24 0.00 -1.93 0.00 0.00 178.83 177.47 3kco h ALA 235 N 1.14 0.96 -0.34 3.38 0.00 -0.85 -1.43 119.26 122.13 3kco h ALA 235 Ca 0.10 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3kco h ALA 235 Cb 0.68 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kco h ALA 235 CO 0.05 0.60 -0.39 -0.07 0.00 0.00 0.00 179.25 179.45 3kco h LEU 236 N 0.58 0.92 -1.28 0.00 3.38 -0.80 0.40 115.31 118.51 3kco h LEU 236 Ca 0.08 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.62 3kco h LEU 236 Cb 0.71 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3kco h LEU 236 CO 0.05 1.22 0.52 -0.25 0.09 0.00 0.00 178.44 180.07 3kco h TRP 237 N 0.65 0.89 -0.00 1.13 7.01 -0.55 -0.59 115.95 124.48 3kco h TRP 237 Ca 0.05 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3kco h TRP 237 Cb 0.98 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.75 3kco h TRP 237 CO 0.07 0.49 -0.19 0.00 -2.79 0.00 0.00 178.44 176.02 3kco n ALA 238 N -2.43 2.85 -2.13 2.65 0.00 -0.56 -4.93 120.51 115.96 3kco n ALA 238 Ca 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 3kco n ALA 238 Cb 0.18 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3kco n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kco n GLY 239 N 1.42 0.07 0.33 0.00 0.00 -0.23 -4.96 105.19 101.82 3kco n GLY 239 Ca 0.09 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.57 3kco n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kco n LYS 240 N -1.75 2.63 -2.73 1.61 4.76 0.06 -4.91 118.16 117.83 3kco n LYS 240 Ca -0.09 -1.70 -0.42 0.00 -2.87 0.00 0.00 58.31 53.23 3kco n LYS 240 Cb 0.56 -1.14 -0.02 0.00 -1.84 0.00 0.00 35.03 32.59 3kco n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kco s LEU 241 N -0.95 4.23 0.27 -0.35 2.96 -1.22 -1.02 118.68 122.60 3kco s LEU 241 Ca 0.12 -1.90 0.19 0.00 -0.22 0.00 0.00 54.13 52.31 3kco s LEU 241 Cb 0.06 -2.49 0.09 0.00 0.50 0.00 0.00 46.19 44.34 3kco s LEU 241 CO 0.08 -1.25 1.31 -0.26 -1.32 0.00 0.00 176.35 174.91 3kco h PHE 242 N 9.00 0.00 -2.47 5.38 -1.00 -1.90 -3.48 116.94 122.47 3kco h PHE 242 Ca 0.22 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.15 3kco h PHE 242 Cb 0.99 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.47 3kco h PHE 242 CO 1.24 0.31 0.43 -1.58 -1.61 0.00 0.00 178.31 177.10 3kco s HIS 243 N -3.08 -0.17 -0.16 -0.55 2.46 -1.24 -4.84 115.29 107.71 3kco s HIS 243 Ca 0.03 -0.15 -0.16 0.00 0.47 0.00 0.00 55.06 55.25 3kco s HIS 243 Cb 0.07 0.64 0.04 0.00 -0.13 0.00 0.00 32.58 33.21 3kco s HIS 243 CO 0.75 -0.88 0.44 -1.50 -2.47 0.00 0.00 174.74 171.08 3kco s ILE 244 N -3.40 0.00 -0.25 0.89 2.07 -1.26 -4.12 121.20 115.13 3kco s ILE 244 Ca 0.11 -0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 3kco s ILE 244 Cb -0.02 -0.63 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 3kco s ILE 244 CO 0.02 -0.01 0.05 -1.81 -1.91 0.00 0.00 174.94 171.28 3kco s ASP 245 N 0.12 4.98 -0.15 4.50 1.11 -0.18 -3.25 116.67 123.80 3kco s ASP 245 Ca -0.01 -0.34 -0.05 0.00 0.18 0.00 0.00 52.55 52.33 3kco s ASP 245 Cb -0.03 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.04 3kco s ASP 245 CO 0.01 -0.06 0.02 -0.76 1.18 0.00 0.00 175.17 175.56 3kco s LEU 246 N 1.57 3.64 0.00 1.23 1.43 0.16 -2.37 118.68 124.34 3kco s LEU 246 Ca 0.06 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3kco s LEU 246 Cb -0.15 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kco s LEU 246 CO 0.02 0.23 0.00 -0.46 0.23 0.00 0.00 176.35 176.37 3kco n ASN 247 N 3.15 0.00 -4.15 2.29 0.23 -1.26 -2.40 115.26 113.12 3kco n ASN 247 Ca -0.17 -0.49 -0.15 0.00 -0.53 0.00 0.00 54.58 53.23 3kco n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 3kco n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3kco s GLY 248 N -1.15 0.77 -0.13 4.83 0.00 0.19 -4.47 107.32 107.35 3kco s GLY 248 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 44.72 43.60 3kco s GLY 248 CO 0.00 -1.08 0.32 1.62 0.00 0.00 0.00 173.10 173.97 3kco s GLN 249 N -2.16 0.34 -1.15 2.90 2.00 -1.26 -1.33 119.66 118.99 3kco s GLN 249 Ca -0.01 0.55 -0.06 0.00 -2.00 0.00 0.00 55.36 53.84 3kco s GLN 249 Cb -0.07 0.06 0.26 0.00 0.80 0.00 0.00 33.01 34.05 3kco s GLN 249 CO 0.01 -0.10 1.61 0.09 -0.50 0.00 0.00 175.29 176.39 3kco n ASN 250 N 3.57 5.91 -0.02 6.67 3.02 -1.26 -3.40 115.26 129.74 3kco n ASN 250 Ca -0.19 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 3kco n ASN 250 Cb 0.56 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 3kco n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kco n GLY 251 N 1.94 -1.31 3.52 7.41 0.00 -1.26 -4.74 105.19 110.75 3kco n GLY 251 Ca 0.31 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 3kco n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kco s ILE 252 N 0.00 4.46 0.00 -0.61 1.01 -1.26 -4.45 121.20 120.35 3kco s ILE 252 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3kco s ILE 252 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.98 3kco s ILE 252 CO 0.00 -1.02 0.00 2.29 0.00 0.00 0.00 174.94 176.21 3kco n LYS 253 N 7.26 0.00 -1.00 2.79 2.85 -1.26 -5.10 118.16 123.70 3kco n LYS 253 Ca 0.02 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.94 3kco n LYS 253 Cb 0.47 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.98 3kco n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3kco n TYR 254 N 0.00 0.16 -2.05 5.58 4.11 -1.26 -4.85 117.16 118.85 3kco n TYR 254 Ca 0.00 0.35 -0.42 0.00 -0.00 0.00 0.00 57.90 57.84 3kco n TYR 254 Cb 0.00 -1.98 -0.03 0.00 -0.00 0.00 0.00 39.34 37.33 3kco n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3kco s ASP 255 N -2.04 5.75 0.03 9.48 2.15 -1.26 -4.88 116.67 125.90 3kco s ASP 255 Ca 0.67 0.96 -0.12 0.00 0.43 0.00 0.00 52.55 54.48 3kco s ASP 255 Cb -0.27 -2.53 -0.33 0.00 -0.30 0.00 0.00 42.92 39.48 3kco s ASP 255 CO 0.57 -1.88 0.98 1.56 -0.17 0.00 0.00 175.17 176.23 3kco h GLN 256 N 13.27 0.46 -5.94 4.34 4.20 -1.89 -3.49 115.11 126.07 3kco h GLN 256 Ca -0.30 -0.79 -0.39 0.00 0.06 0.00 0.00 58.65 57.22 3kco h GLN 256 Cb 1.16 0.29 0.09 0.00 0.30 0.00 0.00 27.48 29.32 3kco h GLN 256 CO 1.09 1.37 -0.79 -0.25 -0.67 0.00 0.00 178.83 179.59 3kco n ASP 257 N -3.65 -2.36 -4.77 1.46 9.92 -1.22 -4.69 116.55 111.24 3kco n ASP 257 Ca -0.16 -0.72 -0.30 0.00 -0.53 0.00 0.00 54.79 53.08 3kco n ASP 257 Cb 1.09 -4.49 0.12 0.00 -0.64 0.00 0.00 41.12 37.19 3kco n ASP 257 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kco s LEU 258 N -6.70 2.32 0.69 0.64 1.43 -0.44 -0.58 118.68 116.04 3kco s LEU 258 Ca 0.13 1.29 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 3kco s LEU 258 Cb -0.06 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.41 3kco s LEU 258 CO 0.78 -2.35 1.19 0.00 0.23 0.00 0.00 176.35 176.19 3kco s ARG 259 N -5.10 2.42 0.32 1.70 1.70 -1.26 -0.64 118.95 118.10 3kco s ARG 259 Ca 0.62 1.70 -0.29 0.00 -0.47 0.00 0.00 55.73 57.29 3kco s ARG 259 Cb -0.16 -1.87 -0.11 0.00 -0.57 0.00 0.00 34.95 32.24 3kco s ARG 259 CO 0.55 -1.60 1.51 0.12 -1.08 0.00 0.00 175.30 174.80 3kco s PHE 260 N -1.98 2.76 0.00 5.89 5.36 -1.26 -2.10 117.98 126.65 3kco s PHE 260 Ca 0.73 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 3kco s PHE 260 Cb -0.28 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.42 3kco s PHE 260 CO 0.42 -3.10 0.00 0.41 -1.46 0.00 0.00 175.22 171.50 3kco n GLY 261 N 1.47 2.46 3.86 13.12 0.00 -1.26 -4.46 105.19 120.37 3kco n GLY 261 Ca 0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3kco n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kco s ALA 262 N -1.35 2.46 0.00 4.61 0.00 -0.89 -4.34 121.76 122.25 3kco s ALA 262 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3kco s ALA 262 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3kco s ALA 262 CO 0.00 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.49 3kco n GLY 263 N -2.81 0.55 3.50 0.00 0.00 -1.26 -4.15 105.19 101.02 3kco n GLY 263 Ca 0.07 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3kco n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kco s ASP 264 N -4.00 6.32 0.17 1.61 -1.08 -1.22 -4.89 116.67 113.58 3kco s ASP 264 Ca 0.00 -1.16 -0.11 0.00 -0.52 0.00 0.00 52.55 50.76 3kco s ASP 264 Cb 0.00 -2.48 0.07 0.00 -1.46 0.00 0.00 42.92 39.05 3kco s ASP 264 CO 0.00 -1.48 1.70 0.25 0.52 0.00 0.00 175.17 176.16 3kco h LEU 265 N 11.85 0.88 -0.94 -1.34 5.85 -1.82 -2.59 115.31 127.20 3kco h LEU 265 Ca -0.10 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3kco h LEU 265 Cb 1.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3kco h LEU 265 CO 1.24 0.86 0.24 0.03 -0.34 0.00 0.00 178.44 180.47 3kco h ARG 266 N 0.86 1.02 -0.52 1.25 2.47 -1.93 -1.59 114.38 115.93 3kco h ARG 266 Ca 0.19 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 3kco h ARG 266 Cb 0.30 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 3kco h ARG 266 CO -0.01 0.85 0.25 0.00 0.56 0.00 0.00 179.97 181.62 3kco h ALA 267 N 1.27 1.47 -0.59 0.04 0.00 -1.94 -1.56 119.26 117.96 3kco h ALA 267 Ca 0.23 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3kco h ALA 267 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kco h ALA 267 CO -0.01 0.42 0.07 0.00 0.00 0.00 0.00 179.25 179.73 3kco h ALA 268 N 1.56 1.00 0.03 0.00 0.00 -0.92 -0.90 119.26 120.02 3kco h ALA 268 Ca 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kco h ALA 268 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kco h ALA 268 CO -0.03 0.63 -0.02 0.35 0.00 0.00 0.00 179.25 180.19 3kco h PHE 269 N 0.92 -0.04 0.00 0.00 3.57 -0.66 -1.82 116.94 118.91 3kco h PHE 269 Ca 0.18 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3kco h PHE 269 Cb 0.44 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3kco h PHE 269 CO 0.03 0.15 -0.21 -1.49 -2.23 0.00 0.00 178.31 174.55 3kco h TRP 270 N -0.22 0.00 0.04 0.41 4.06 -1.13 -1.48 115.95 117.64 3kco h TRP 270 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 3kco h TRP 270 Cb 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3kco h TRP 270 CO -0.01 0.21 -0.02 1.25 -3.56 0.00 0.00 178.44 176.31 3kco h LEU 271 N 0.00 -0.05 -0.74 -4.49 5.85 -0.95 -2.03 115.31 112.91 3kco h LEU 271 Ca -0.00 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.23 3kco h LEU 271 Cb 0.46 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3kco h LEU 271 CO 0.03 0.50 0.49 0.58 -0.34 0.00 0.00 178.44 179.69 3kco h VAL 272 N -0.61 1.17 -0.44 1.05 2.07 -1.17 0.05 116.25 118.37 3kco h VAL 272 Ca -0.01 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3kco h VAL 272 Cb 0.55 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3kco h VAL 272 CO 0.01 0.18 0.14 -0.78 0.02 0.00 0.00 177.57 177.14 3kco h ASP 273 N 0.99 0.12 -0.00 0.57 3.58 -1.28 -0.98 116.42 119.42 3kco h ASP 273 Ca 0.28 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 3kco h ASP 273 Cb -0.09 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 3kco h ASP 273 CO -0.07 0.10 -0.00 0.25 -2.88 0.00 0.00 179.24 176.64 3kco h LEU 274 N 0.30 0.01 -0.96 2.28 5.85 -0.73 -1.55 115.31 120.50 3kco h LEU 274 Ca 0.21 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3kco h LEU 274 Cb 0.23 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3kco h LEU 274 CO -0.23 0.34 0.63 -0.07 -0.34 0.00 0.00 178.44 178.76 3kco h LEU 275 N -0.32 1.05 -0.11 2.25 3.38 -0.80 -0.07 115.31 120.70 3kco h LEU 275 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3kco h LEU 275 Cb 0.33 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kco h LEU 275 CO 0.00 0.73 -0.45 -0.33 0.09 0.00 0.00 178.44 178.48 3kco h GLU 276 N 1.23 0.50 0.00 1.13 4.39 -1.19 -1.00 114.58 119.63 3kco h GLU 276 Ca 0.38 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3kco h GLU 276 Cb -0.02 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3kco h GLU 276 CO -0.11 1.02 -0.40 0.66 -1.16 0.00 0.00 179.01 179.01 3kco h SER 277 N 0.10 0.00 0.79 1.42 4.64 -1.13 -2.72 113.55 116.65 3kco h SER 277 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kco h SER 277 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3kco h SER 277 CO 0.09 0.40 -0.12 0.00 -0.87 0.00 0.00 176.83 176.34 3kco n ALA 278 N -2.34 2.64 -2.39 5.18 0.00 -0.05 -4.94 120.51 118.61 3kco n ALA 278 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 3kco n ALA 278 Cb 0.49 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.56 3kco n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kco n GLY 279 N 1.46 0.19 3.68 0.00 0.00 -0.97 -4.95 105.19 104.60 3kco n GLY 279 Ca 0.08 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3kco n GLY 279 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kco s TYR 280 N -2.61 2.01 -1.44 1.61 5.04 -0.42 -4.86 117.35 116.68 3kco s TYR 280 Ca 0.07 -0.06 0.12 0.00 -2.44 0.00 0.00 57.07 54.75 3kco s TYR 280 Cb -0.03 -4.16 0.10 0.00 0.35 0.00 0.00 41.96 38.22 3kco s TYR 280 CO 0.08 -4.86 0.88 -1.13 -1.34 0.00 0.00 175.55 169.18 3kco n SER 281 N 6.04 1.99 -3.68 4.32 3.41 -1.26 -4.90 113.62 119.53 3kco n SER 281 Ca 0.18 -1.50 -0.27 0.00 -0.26 0.00 0.00 58.87 57.02 3kco n SER 281 Cb 0.39 -0.01 0.20 0.00 -0.26 0.00 0.00 64.21 64.53 3kco n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kco n GLY 282 N 0.65 -1.79 3.76 5.00 0.00 -1.26 -5.02 105.19 106.53 3kco n GLY 282 Ca 0.07 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 3kco n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kco s PRO 283 N -5.59 2.57 -0.80 1.61 0.02 -1.26 -4.98 135.00 126.57 3kco s PRO 283 Ca 0.69 1.41 -0.07 0.00 0.02 0.00 0.00 61.00 63.04 3kco s PRO 283 Cb -0.03 -1.92 0.21 0.00 0.02 0.00 0.00 34.50 32.78 3kco s PRO 283 CO 0.49 -1.44 0.70 1.03 -0.33 0.00 0.00 177.00 177.45 3kco s ARG 284 N -4.22 3.26 -0.10 5.54 3.00 -0.31 -4.34 118.95 121.79 3kco s ARG 284 Ca 0.67 -2.72 -0.18 0.00 0.00 0.00 0.00 55.73 53.49 3kco s ARG 284 Cb -0.21 -4.12 -0.04 0.00 0.00 0.00 0.00 34.95 30.57 3kco s ARG 284 CO 0.45 -1.24 0.48 -1.58 0.00 0.00 0.00 175.30 173.41 3kco s HIS 285 N -0.36 3.55 -0.25 -0.53 2.46 -1.20 -1.43 115.29 117.53 3kco s HIS 285 Ca 0.21 0.93 -0.09 0.00 0.47 0.00 0.00 55.06 56.58 3kco s HIS 285 Cb -0.13 -2.53 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 3kco s HIS 285 CO -0.07 0.23 0.11 -0.06 -2.47 0.00 0.00 174.74 172.47 3kco s PHE 286 N 0.40 3.15 -0.67 3.88 0.08 -0.12 0.40 117.98 125.10 3kco s PHE 286 Ca 0.26 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.17 3kco s PHE 286 Cb -0.16 -2.26 0.16 0.00 -0.57 0.00 0.00 43.02 40.20 3kco s PHE 286 CO 0.11 -0.21 0.46 0.34 -0.10 0.00 0.00 175.22 175.82 3kco s ASP 287 N 1.47 4.93 0.24 1.36 -1.08 -1.01 -3.63 116.67 118.95 3kco s ASP 287 Ca 0.06 -3.41 0.02 0.00 -0.52 0.00 0.00 52.55 48.70 3kco s ASP 287 Cb -0.15 -1.72 -0.05 0.00 -1.46 0.00 0.00 42.92 39.54 3kco s ASP 287 CO 0.05 -0.19 0.07 0.72 0.52 0.00 0.00 175.17 176.34 3kco s PHE 288 N -0.85 1.48 -0.17 -5.34 -0.71 -1.26 -4.62 117.98 106.51 3kco s PHE 288 Ca 0.21 -1.13 -0.00 0.00 -1.04 0.00 0.00 56.93 54.98 3kco s PHE 288 Cb -0.14 -0.87 0.04 0.00 -1.21 0.00 0.00 43.02 40.84 3kco s PHE 288 CO -0.08 -0.28 -0.07 0.15 -1.34 0.00 0.00 175.22 173.59 3kco s LYS 289 N -4.00 1.64 0.05 1.99 1.02 0.26 -4.39 119.74 116.31 3kco s LYS 289 Ca 0.34 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.45 3kco s LYS 289 Cb 0.07 -2.08 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 3kco s LYS 289 CO 0.11 -0.40 1.62 -2.14 -0.92 0.00 0.00 175.35 173.62 3kco s PRO 290 N 1.57 4.21 0.54 -1.68 0.02 -1.26 -4.69 135.00 133.71 3kco s PRO 290 Ca 0.01 2.27 -0.19 0.00 0.02 0.00 0.00 61.00 63.11 3kco s PRO 290 Cb -0.15 -3.63 -0.09 0.00 0.02 0.00 0.00 34.50 30.65 3kco s PRO 290 CO -0.08 -0.72 0.61 -2.30 -0.33 0.00 0.00 177.00 174.17 3kco n PRO 291 N 5.69 0.62 0.06 5.54 -0.02 -1.26 -4.80 135.00 140.82 3kco n PRO 291 Ca 0.16 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 61.94 3kco n PRO 291 Cb 0.41 -1.74 0.32 0.00 -0.02 0.00 0.00 33.50 32.47 3kco n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kco n ARG 292 N -0.02 0.07 0.24 -0.52 1.85 -1.26 -1.92 116.66 115.10 3kco n ARG 292 Ca 0.12 0.42 0.16 0.00 -1.00 0.00 0.00 57.85 57.55 3kco n ARG 292 Cb 0.46 -1.67 0.67 0.00 -1.05 0.00 0.00 32.46 30.87 3kco n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3kco h THR 293 N 0.00 0.00 -3.51 8.89 1.35 -1.98 -3.46 112.91 114.20 3kco h THR 293 Ca 0.00 -0.41 -0.51 0.00 -0.55 0.00 0.00 66.41 64.94 3kco h THR 293 Cb 0.17 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3kco h THR 293 CO 0.00 0.00 -0.00 -1.61 -0.25 0.00 0.00 175.52 173.66 3kco s GLU 294 N -3.61 3.77 0.20 4.72 0.41 -0.81 -5.11 118.70 118.28 3kco s GLU 294 Ca 0.02 0.33 0.03 0.00 -0.41 0.00 0.00 54.97 54.93 3kco s GLU 294 Cb 0.09 -2.51 0.03 0.00 -1.78 0.00 0.00 34.13 29.96 3kco s GLU 294 CO 0.49 0.12 0.28 -0.40 -0.49 0.00 0.00 175.26 175.27 3kco n ASP 295 N -0.86 0.70 -0.09 -0.19 5.68 -1.26 -4.87 116.55 115.66 3kco n ASP 295 Ca 0.01 -1.52 0.05 0.00 -0.50 0.00 0.00 54.79 52.83 3kco n ASP 295 Cb 0.54 -0.15 0.38 0.00 -1.14 0.00 0.00 41.12 40.74 3kco n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3kco h PHE 296 N 0.00 0.65 -0.65 2.11 0.04 -1.99 -1.20 116.94 115.91 3kco h PHE 296 Ca -0.09 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 3kco h PHE 296 Cb 0.43 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3kco h PHE 296 CO 0.00 0.39 0.27 -0.44 -0.60 0.00 0.00 178.31 177.93 3kco h ASP 297 N 0.68 0.86 0.42 2.17 3.32 -2.00 -1.71 116.42 120.15 3kco h ASP 297 Ca 0.23 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3kco h ASP 297 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3kco h ASP 297 CO -0.06 0.76 -0.43 1.23 -1.72 0.00 0.00 179.24 179.02 3kco h GLY 298 N 1.02 0.02 1.08 2.75 0.00 -1.60 -2.31 103.07 104.03 3kco h GLY 298 Ca 0.22 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 3kco h GLY 298 CO -0.02 0.02 -0.45 -0.39 0.00 0.00 0.00 176.54 175.70 3kco h VAL 299 N 0.02 1.29 -0.06 4.60 -1.51 -0.62 -1.52 116.25 118.45 3kco h VAL 299 Ca -0.00 -1.64 -0.11 0.00 -1.23 0.00 0.00 66.70 63.72 3kco h VAL 299 Cb 0.78 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 3kco h VAL 299 CO 0.06 0.53 -0.47 -0.50 -1.23 0.00 0.00 177.57 175.96 3kco h TRP 300 N 0.58 0.17 -0.27 5.19 4.06 -1.35 -1.03 115.95 123.31 3kco h TRP 300 Ca 0.03 -0.05 -0.13 0.00 2.06 0.00 0.00 58.89 60.79 3kco h TRP 300 Cb 1.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 3kco h TRP 300 CO 0.07 0.59 -0.37 0.00 -3.56 0.00 0.00 178.44 175.17 3kco h ALA 301 N 1.41 0.84 -0.41 1.49 0.00 -1.36 -1.38 119.26 119.85 3kco h ALA 301 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3kco h ALA 301 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kco h ALA 301 CO 0.07 0.64 -0.06 1.03 0.00 0.00 0.00 179.25 180.93 3kco h SER 302 N 0.52 0.76 -0.66 0.00 0.87 -0.76 -1.48 113.55 112.80 3kco h SER 302 Ca 0.05 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 3kco h SER 302 Cb 0.88 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3kco h SER 302 CO 0.08 0.93 0.19 0.00 -0.53 0.00 0.00 176.83 177.49 3kco h ALA 303 N 0.86 0.87 -0.50 6.23 0.00 -1.09 -2.56 119.26 123.07 3kco h ALA 303 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3kco h ALA 303 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kco h ALA 303 CO 0.03 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.91 3kco h ALA 304 N 1.07 1.17 -0.02 0.00 0.00 -1.09 -2.37 119.26 118.02 3kco h ALA 304 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kco h ALA 304 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kco h ALA 304 CO -0.00 0.55 -0.15 0.78 0.00 0.00 0.00 179.25 180.43 3kco h GLY 305 N 0.96 0.03 0.88 0.00 0.00 -0.90 -1.03 103.07 103.01 3kco h GLY 305 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 3kco h GLY 305 CO 0.01 0.02 -0.13 0.00 0.00 0.00 0.00 176.54 176.43 3kco h MET 307 N -0.32 0.79 -0.31 0.00 2.86 -1.50 -2.82 114.93 113.64 3kco h MET 307 Ca -0.01 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.25 3kco h MET 307 Cb 0.28 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3kco h MET 307 CO -0.01 1.04 0.11 -0.09 1.06 0.00 0.00 176.91 179.02 3kco h ARG 308 N 0.57 0.23 -0.71 1.72 2.43 -1.09 -1.38 114.38 116.15 3kco h ARG 308 Ca 0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3kco h ARG 308 Cb 0.89 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3kco h ARG 308 CO 0.08 0.16 0.31 -0.91 -1.51 0.00 0.00 179.97 178.09 3kco h ASN 309 N 0.24 0.94 -0.54 -3.80 2.35 -1.11 -0.93 115.58 112.73 3kco h ASN 309 Ca 0.14 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3kco h ASN 309 Cb 0.11 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3kco h ASN 309 CO -0.14 0.82 0.17 0.22 -1.65 0.00 0.00 177.43 176.85 3kco h TYR 310 N 1.01 0.87 -0.48 1.19 5.03 -1.18 -2.10 116.97 121.31 3kco h TYR 310 Ca 0.24 -0.09 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 3kco h TYR 310 Cb 0.16 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3kco h TYR 310 CO 0.01 0.74 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.45 3kco h LEU 311 N 0.74 0.83 -0.19 2.82 3.38 -0.80 -1.77 115.31 120.33 3kco h LEU 311 Ca 0.17 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3kco h LEU 311 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kco h LEU 311 CO -0.01 0.94 -0.02 0.40 0.09 0.00 0.00 178.44 179.84 3kco h ILE 312 N 0.77 1.27 -0.72 1.22 2.04 -1.03 -2.49 117.51 118.58 3kco h ILE 312 Ca 0.13 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3kco h ILE 312 Cb 0.56 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3kco h ILE 312 CO 0.03 0.28 0.37 -0.07 0.00 0.00 0.00 178.15 178.77 3kco h LEU 313 N 0.08 0.90 -0.93 1.44 3.38 -1.31 -1.51 115.31 117.36 3kco h LEU 313 Ca 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kco h LEU 313 Cb 0.43 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3kco h LEU 313 CO 0.01 0.74 0.47 0.50 0.09 0.00 0.00 178.44 180.25 3kco h LYS 314 N 1.01 1.23 -0.09 1.13 3.64 -1.24 0.23 116.57 122.49 3kco h LYS 314 Ca 0.25 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3kco h LYS 314 Cb 0.06 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3kco h LYS 314 CO -0.04 0.90 0.02 1.49 -2.27 0.00 0.00 179.45 179.56 3kco h GLU 315 N 1.23 0.14 -0.46 1.90 4.81 -0.93 -1.58 114.58 119.69 3kco h GLU 315 Ca 0.31 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 3kco h GLU 315 Cb 0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3kco h GLU 315 CO -0.05 0.32 -0.11 0.00 -0.73 0.00 0.00 179.01 178.44 3kco h ARG 316 N -0.07 0.84 -0.41 1.92 2.47 -0.88 -1.26 114.38 116.98 3kco h ARG 316 Ca 0.03 -0.29 -0.12 0.00 -1.26 0.00 0.00 59.98 58.34 3kco h ARG 316 Cb 0.25 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3kco h ARG 316 CO 0.00 0.91 -0.24 0.00 0.56 0.00 0.00 179.97 181.20 3kco h ALA 317 N 1.12 0.80 -0.38 0.04 0.00 -0.52 -0.67 119.26 119.65 3kco h ALA 317 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3kco h ALA 317 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kco h ALA 317 CO 0.04 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.03 3kco h ALA 318 N 1.00 0.50 -0.68 0.00 0.00 -1.10 -1.92 119.26 117.06 3kco h ALA 318 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kco h ALA 318 Cb 0.78 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kco h ALA 318 CO 0.06 0.18 0.32 0.00 0.00 0.00 0.00 179.25 179.81 3kco h ALA 319 N 0.94 1.30 0.38 0.00 0.00 -1.07 -1.84 119.26 118.96 3kco h ALA 319 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kco h ALA 319 Cb 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kco h ALA 319 CO 0.00 0.54 -0.18 0.35 0.00 0.00 0.00 179.25 179.96 3kco h PHE 320 N 0.96 -0.47 -0.64 0.00 3.57 -0.73 -2.55 116.94 117.08 3kco h PHE 320 Ca 0.23 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 3kco h PHE 320 Cb 0.10 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3kco h PHE 320 CO 0.01 -0.28 0.14 0.00 -2.23 0.00 0.00 178.31 175.95 3kco h ARG 321 N -0.54 1.01 0.00 1.11 2.47 -1.20 -2.95 114.38 114.28 3kco h ARG 321 Ca -0.05 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 3kco h ARG 321 Cb 0.41 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3kco h ARG 321 CO 0.09 0.90 0.00 0.00 0.56 0.00 0.00 179.97 181.52 3kco n ALA 322 N -2.46 2.33 -2.27 0.04 0.00 -0.71 -4.65 120.51 112.79 3kco n ALA 322 Ca 0.05 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3kco n ALA 322 Cb 0.26 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 3kco n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kco s ASP 323 N -2.69 6.70 0.53 0.00 -1.08 -0.97 -4.89 116.67 114.28 3kco s ASP 323 Ca 0.22 1.67 0.20 0.00 -0.52 0.00 0.00 52.55 54.12 3kco s ASP 323 Cb 0.18 -2.54 1.38 0.00 -1.46 0.00 0.00 42.92 40.48 3kco s ASP 323 CO 0.44 -0.98 2.15 -0.65 0.52 0.00 0.00 175.17 176.64 3kco h PRO 324 N 9.29 0.00 -0.13 4.34 0.11 -1.90 -0.04 132.00 143.67 3kco h PRO 324 Ca -0.30 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.70 3kco h PRO 324 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kco h PRO 324 CO 0.99 0.00 -0.38 1.49 -0.21 0.00 0.00 178.00 179.89 3kco h GLU 325 N 0.00 0.28 -0.01 1.05 4.81 -1.95 -0.85 114.58 117.91 3kco h GLU 325 Ca 0.03 -0.12 -0.23 0.00 -0.13 0.00 0.00 59.36 58.91 3kco h GLU 325 Cb 0.14 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kco h GLU 325 CO -0.00 0.62 -0.93 0.28 -0.73 0.00 0.00 179.01 178.25 3kco h VAL 326 N 0.23 1.37 -0.40 0.32 2.07 -1.36 -1.48 116.25 117.01 3kco h VAL 326 Ca 0.02 -2.36 -0.07 0.00 0.82 0.00 0.00 66.70 65.12 3kco h VAL 326 Cb 0.78 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3kco h VAL 326 CO 0.06 0.71 -0.03 1.56 0.02 0.00 0.00 177.57 179.89 3kco h GLN 327 N 0.28 0.65 -0.35 1.57 4.20 -0.76 0.51 115.11 121.22 3kco h GLN 327 Ca -0.08 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.33 3kco h GLN 327 Cb 1.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 3kco h GLN 327 CO 0.17 0.70 -0.26 1.49 -0.67 0.00 0.00 178.83 180.25 3kco h GLU 328 N 0.61 0.80 -0.58 1.46 4.81 -1.06 -2.64 114.58 117.99 3kco h GLU 328 Ca 0.12 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 3kco h GLU 328 Cb 0.43 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3kco h GLU 328 CO 0.02 1.02 0.21 0.00 -0.73 0.00 0.00 179.01 179.53 3kco h ALA 329 N 0.76 1.28 -0.68 2.92 0.00 -0.77 -0.04 119.26 122.73 3kco h ALA 329 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kco h ALA 329 Cb 0.83 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3kco h ALA 329 CO 0.07 0.52 0.22 -0.07 0.00 0.00 0.00 179.25 180.00 3kco h LEU 330 N 0.83 0.96 -0.46 0.00 3.38 -0.75 -1.45 115.31 117.83 3kco h LEU 330 Ca 0.19 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3kco h LEU 330 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kco h LEU 330 CO -0.01 0.89 -0.49 0.03 0.09 0.00 0.00 178.44 178.94 3kco h ARG 331 N 1.00 0.72 -0.25 1.13 3.08 -1.03 -2.02 114.38 117.01 3kco h ARG 331 Ca 0.22 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3kco h ARG 331 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3kco h ARG 331 CO -0.01 1.05 0.17 0.00 -1.07 0.00 0.00 179.97 180.11 3kco h ALA 332 N 0.88 1.94 -0.27 0.04 0.00 -0.34 -1.27 119.26 120.23 3kco h ALA 332 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kco h ALA 332 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kco h ALA 332 CO 0.10 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.81 3kco n SER 333 N -4.50 2.31 -2.08 0.00 7.64 -0.61 -4.77 113.62 111.61 3kco n SER 333 Ca 0.02 -1.84 -0.17 0.00 1.01 0.00 0.00 58.87 57.89 3kco n SER 333 Cb 0.15 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.18 3kco n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kco n ARG 334 N 0.75 -2.25 0.21 1.43 3.00 -0.48 -4.90 116.66 114.41 3kco n ARG 334 Ca 0.17 0.77 0.05 0.00 -0.01 0.00 0.00 57.85 58.84 3kco n ARG 334 Cb 0.42 -5.21 0.46 0.00 0.00 0.00 0.00 32.46 28.13 3kco n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3kco h LEU 335 N -0.40 0.00 -0.91 0.55 -0.00 -1.61 -1.89 115.31 111.05 3kco h LEU 335 Ca -0.40 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.39 3kco h LEU 335 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 3kco h LEU 335 CO 0.46 0.28 -0.18 -2.24 -0.00 0.00 0.00 178.44 176.76 3kco h ASP 336 N 0.00 0.59 0.48 -0.43 2.03 -1.88 -2.80 116.42 114.42 3kco h ASP 336 Ca -0.00 -0.18 -0.15 0.00 -0.73 0.00 0.00 57.03 55.96 3kco h ASP 336 Cb 0.55 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 3kco h ASP 336 CO 0.04 0.78 -0.67 -0.33 -1.03 0.00 0.00 179.24 178.03 3kco h GLU 337 N 0.54 0.17 -0.29 4.15 5.08 -1.75 -2.92 114.58 119.57 3kco h GLU 337 Ca 0.09 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3kco h GLU 337 Cb 0.61 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3kco h GLU 337 CO 0.04 0.78 0.14 1.25 -1.00 0.00 0.00 179.01 180.22 3kco h LEU 338 N 0.12 0.34 0.00 1.33 5.85 -1.15 -1.67 115.31 120.13 3kco h LEU 338 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kco h LEU 338 Cb 1.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3kco h LEU 338 CO 0.10 0.29 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 3kco n ALA 339 N -2.49 2.27 -2.51 1.25 0.00 -1.10 -4.80 120.51 113.13 3kco n ALA 339 Ca 0.01 -0.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 3kco n ALA 339 Cb 0.11 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 3kco n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kco s ARG 340 N -2.89 4.02 0.44 0.00 0.52 -0.63 -5.04 118.95 115.37 3kco s ARG 340 Ca 0.17 0.45 -0.25 0.00 -0.52 0.00 0.00 55.73 55.57 3kco s ARG 340 Cb 0.18 -3.26 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 3kco s ARG 340 CO 0.47 0.60 1.30 -2.30 0.02 0.00 0.00 175.30 175.39 3kco n PRO 341 N 2.12 1.96 -0.11 3.54 -0.02 -1.26 -4.90 135.00 136.34 3kco n PRO 341 Ca -0.12 0.70 -0.11 0.00 -2.02 0.00 0.00 63.50 61.94 3kco n PRO 341 Cb 0.52 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3kco n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kco h THR 342 N 2.07 1.27 -1.21 3.45 2.02 -1.94 -3.39 112.91 115.19 3kco h THR 342 Ca -0.49 -1.50 -0.41 0.00 0.77 0.00 0.00 66.41 64.78 3kco h THR 342 Cb 1.29 1.33 -0.30 0.00 -1.74 0.00 0.00 68.15 68.74 3kco h THR 342 CO 0.60 0.50 -0.88 0.00 0.37 0.00 0.00 175.52 176.11 3kco n ALA 343 N -2.53 0.90 0.35 6.16 0.00 -1.26 -4.90 120.51 119.24 3kco n ALA 343 Ca -0.01 -2.62 0.13 0.00 0.00 0.00 0.00 53.44 50.94 3kco n ALA 343 Cb 0.51 -1.02 0.55 0.00 0.00 0.00 0.00 19.45 19.50 3kco n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kco h ALA 344 N 3.61 1.00 0.00 0.00 0.00 -1.99 -1.26 119.26 120.63 3kco h ALA 344 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kco h ALA 344 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kco h ALA 344 CO 0.39 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 3kco n ASP 345 N -2.39 0.36 0.00 0.00 5.75 -1.26 -5.00 116.55 114.01 3kco n ASP 345 Ca 0.01 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.36 3kco n ASP 345 Cb 0.21 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3kco n ASP 345 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kco n GLY 346 N 0.48 0.39 0.31 6.12 0.00 -0.48 -4.43 105.19 107.59 3kco n GLY 346 Ca 0.04 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 3kco n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kco h LEU 347 N 0.00 -0.79 -0.45 0.99 5.85 -1.95 -2.24 115.31 116.72 3kco h LEU 347 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3kco h LEU 347 Cb 0.00 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3kco h LEU 347 CO 0.00 -0.40 0.25 -0.61 -0.34 0.00 0.00 178.44 177.34 3kco h GLN 348 N -0.56 0.48 -0.83 1.25 5.75 -2.00 -1.56 115.11 117.64 3kco h GLN 348 Ca 0.01 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3kco h GLN 348 Cb 0.54 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.93 3kco h GLN 348 CO -0.10 0.32 0.52 0.00 -2.65 0.00 0.00 178.83 176.91 3kco h ALA 349 N 1.22 1.13 -0.79 3.38 0.00 -1.76 -1.75 119.26 120.69 3kco h ALA 349 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kco h ALA 349 Cb 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kco h ALA 349 CO -0.11 0.27 0.34 1.25 0.00 0.00 0.00 179.25 181.00 3kco h LEU 350 N 0.96 1.07 -1.15 0.00 5.85 -0.75 -1.29 115.31 120.00 3kco h LEU 350 Ca 0.36 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3kco h LEU 350 Cb 0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3kco h LEU 350 CO -0.16 0.93 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.50 3kco h LEU 351 N 1.14 0.21 -0.34 2.25 3.38 -0.74 -2.64 115.31 118.56 3kco h LEU 351 Ca 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kco h LEU 351 Cb 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kco h LEU 351 CO -0.03 0.51 -0.27 0.47 0.09 0.00 0.00 178.44 179.22 3kco n ASP 352 N -4.12 0.79 -4.55 -0.43 8.00 -0.71 -4.80 116.55 110.72 3kco n ASP 352 Ca -0.01 -0.67 -0.41 0.00 0.71 0.00 0.00 54.79 54.41 3kco n ASP 352 Cb 0.39 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3kco n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kco s ASP 353 N -2.61 6.27 0.62 -2.24 2.15 -0.52 -4.87 116.67 115.47 3kco s ASP 353 Ca 0.22 -0.79 0.41 0.00 0.43 0.00 0.00 52.55 52.83 3kco s ASP 353 Cb 0.19 -2.56 2.18 0.00 -0.30 0.00 0.00 42.92 42.44 3kco s ASP 353 CO 0.55 -1.72 2.26 0.03 -0.17 0.00 0.00 175.17 176.12 3kco h ARG 354 N 9.93 0.00 0.00 4.34 3.08 -1.87 -0.85 114.38 129.01 3kco h ARG 354 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3kco h ARG 354 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3kco h ARG 354 CO 1.32 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 179.09 3kco n SER 355 N -3.01 0.49 -0.77 7.04 3.41 -1.26 0.10 113.62 119.62 3kco n SER 355 Ca -0.02 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3kco n SER 355 Cb 0.10 -0.69 0.31 0.00 -0.26 0.00 0.00 64.21 63.67 3kco n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kco n ALA 356 N -1.68 2.50 -0.28 7.33 0.00 -0.32 -4.01 120.51 124.04 3kco n ALA 356 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3kco n ALA 356 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kco n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kco n PHE 357 N 0.79 -1.26 -0.17 0.00 7.35 -1.17 -4.87 117.46 118.13 3kco n PHE 357 Ca 0.17 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.85 3kco n PHE 357 Cb 0.46 0.25 0.08 0.00 0.35 0.00 0.00 39.48 40.62 3kco n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kco h GLU 358 N 0.00 0.19 -0.44 -4.13 3.07 -1.81 -2.40 114.58 109.06 3kco h GLU 358 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3kco h GLU 358 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3kco h GLU 358 CO 0.00 0.12 0.00 0.39 -1.40 0.00 0.00 179.01 178.12 3kco n GLU 359 N -5.17 3.67 -2.65 2.33 1.02 0.28 -4.97 120.64 115.16 3kco n GLU 359 Ca 0.07 -2.87 -0.42 0.00 -0.02 0.00 0.00 57.16 53.92 3kco n GLU 359 Cb 0.28 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 3kco n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kco s PHE 360 N -2.42 3.45 -0.82 -0.32 5.36 -0.91 -4.82 117.98 117.51 3kco s PHE 360 Ca 0.46 1.53 -0.20 0.00 -0.96 0.00 0.00 56.93 57.75 3kco s PHE 360 Cb 0.34 -3.23 0.11 0.00 -0.34 0.00 0.00 43.02 39.90 3kco s PHE 360 CO 0.15 -0.42 1.05 0.34 -1.46 0.00 0.00 175.22 174.88 3kco s ASP 361 N 1.16 6.45 0.38 6.13 -1.08 -1.26 -4.88 116.67 123.58 3kco s ASP 361 Ca 0.50 -1.67 0.10 0.00 -0.52 0.00 0.00 52.55 50.95 3kco s ASP 361 Cb -0.19 -2.40 0.77 0.00 -1.46 0.00 0.00 42.92 39.64 3kco s ASP 361 CO 0.18 -1.19 1.90 -0.37 0.52 0.00 0.00 175.17 176.21 3kco h VAL 362 N 5.89 1.19 -0.16 1.11 -1.51 -1.96 -2.70 116.25 118.11 3kco h VAL 362 Ca -0.01 -0.88 -0.16 0.00 -1.23 0.00 0.00 66.70 64.41 3kco h VAL 362 Cb 1.04 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 3kco h VAL 362 CO 1.13 0.27 -0.58 0.44 -1.23 0.00 0.00 177.57 177.60 3kco h ASP 363 N 0.17 0.59 -0.24 4.19 3.32 -1.99 -0.91 116.42 121.54 3kco h ASP 363 Ca 0.03 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 3kco h ASP 363 Cb 0.44 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kco h ASP 363 CO 0.03 1.04 0.01 0.00 -1.72 0.00 0.00 179.24 178.60 3kco h ALA 364 N 0.97 0.33 -0.35 3.45 0.00 -1.94 -1.95 119.26 119.77 3kco h ALA 364 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kco h ALA 364 Cb 1.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3kco h ALA 364 CO 0.11 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.53 3kco h ALA 365 N 0.82 0.45 -0.32 0.00 0.00 -1.43 -2.92 119.26 115.86 3kco h ALA 365 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kco h ALA 365 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kco h ALA 365 CO 0.01 0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.53 3kco h ALA 366 N 0.98 1.93 0.00 0.00 0.00 -1.06 -2.33 119.26 118.78 3kco h ALA 366 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kco h ALA 366 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kco h ALA 366 CO -0.01 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3kco h ALA 367 N 1.82 1.00 -2.30 0.00 0.00 -1.15 -3.44 119.26 115.18 3kco h ALA 367 Ca 0.13 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.50 3kco h ALA 367 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kco h ALA 367 CO -0.03 0.00 0.95 1.03 0.00 0.00 0.00 179.25 181.20 3kco s ARG 368 N -3.56 4.23 0.48 0.00 0.52 -0.88 -5.00 118.95 114.75 3kco s ARG 368 Ca 0.02 2.03 -0.20 0.00 -0.52 0.00 0.00 55.73 57.07 3kco s ARG 368 Cb 0.08 -3.75 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 3kco s ARG 368 CO 0.55 -0.71 1.02 0.20 0.02 0.00 0.00 175.30 176.38 3kco s GLY 369 N 2.46 2.43 0.12 -3.53 0.00 -1.26 -4.95 107.32 102.59 3kco s GLY 369 Ca 0.67 0.52 0.26 0.00 0.00 0.00 0.00 44.72 46.17 3kco s GLY 369 CO 0.26 0.83 1.63 1.03 0.00 0.00 0.00 173.10 176.85 3kco n MET 370 N -1.01 0.19 -2.44 2.90 0.00 -1.26 -4.94 117.12 110.57 3kco n MET 370 Ca 0.09 0.11 -0.18 0.00 0.00 0.00 0.00 57.70 57.72 3kco n MET 370 Cb 0.53 -1.68 -0.01 0.00 0.00 0.00 0.00 33.22 32.06 3kco n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kco n ALA 371 N -1.71 -0.69 0.15 3.04 0.00 -1.26 -4.15 120.51 115.88 3kco n ALA 371 Ca 0.05 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 3kco n ALA 371 Cb 0.41 -2.01 0.23 0.00 0.00 0.00 0.00 19.45 18.08 3kco n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kco h PHE 372 N -0.05 0.04 -0.32 0.00 0.04 -1.96 -3.06 116.94 111.63 3kco h PHE 372 Ca -0.43 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.17 3kco h PHE 372 Cb 1.31 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.45 3kco h PHE 372 CO 0.61 0.55 -0.44 0.93 -0.60 0.00 0.00 178.31 179.36 3kco h GLU 373 N 0.02 0.81 -0.52 1.51 4.39 -1.99 -1.09 114.58 117.72 3kco h GLU 373 Ca -0.00 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 3kco h GLU 373 Cb 0.94 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3kco h GLU 373 CO 0.07 1.08 0.16 -0.09 -1.16 0.00 0.00 179.01 179.07 3kco h ARG 374 N 0.65 0.80 -0.38 2.33 2.43 -1.97 -1.43 114.38 116.81 3kco h ARG 374 Ca 0.04 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3kco h ARG 374 Cb 1.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 3kco h ARG 374 CO 0.10 0.74 0.24 1.25 -1.51 0.00 0.00 179.97 180.80 3kco h LEU 375 N 0.70 0.42 -1.21 3.80 5.85 -1.43 -2.00 115.31 121.45 3kco h LEU 375 Ca 0.17 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3kco h LEU 375 Cb 0.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3kco h LEU 375 CO -0.01 0.30 -0.31 -0.78 -0.34 0.00 0.00 178.44 177.31 3kco h ASP 376 N 0.50 0.15 0.59 1.25 3.58 -0.92 -1.99 116.42 119.57 3kco h ASP 376 Ca 0.14 -0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 3kco h ASP 376 Cb -0.04 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3kco h ASP 376 CO -0.04 0.46 -0.66 -0.61 -2.88 0.00 0.00 179.24 175.51 3kco h GLN 377 N 0.13 0.06 -0.48 0.28 5.75 -1.01 -0.84 115.11 119.01 3kco h GLN 377 Ca 0.02 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 3kco h GLN 377 Cb 0.62 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 3kco h GLN 377 CO 0.04 0.70 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.79 3kco h LEU 378 N 0.04 0.82 -0.70 -2.39 3.38 -0.81 0.09 115.31 115.74 3kco h LEU 378 Ca -0.01 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3kco h LEU 378 Cb 1.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3kco h LEU 378 CO 0.09 0.93 -0.25 0.00 0.09 0.00 0.00 178.44 179.29 3kco h ALA 379 N 1.15 0.88 -0.08 1.53 0.00 -0.98 -1.95 119.26 119.82 3kco h ALA 379 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kco h ALA 379 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kco h ALA 379 CO 0.03 0.63 0.01 1.98 0.00 0.00 0.00 179.25 181.89 3kco h MET 380 N 0.63 0.13 -0.52 0.00 1.85 -0.75 -1.22 114.93 115.04 3kco h MET 380 Ca 0.08 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 59.21 3kco h MET 380 Cb 0.76 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.71 3kco h MET 380 CO 0.06 0.38 0.17 -0.44 -0.40 0.00 0.00 176.91 176.68 3kco h ASP 381 N -0.13 0.15 -0.57 1.39 3.32 -0.88 -1.28 116.42 118.41 3kco h ASP 381 Ca 0.02 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3kco h ASP 381 Cb 0.32 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3kco h ASP 381 CO 0.00 0.11 0.29 0.45 -1.72 0.00 0.00 179.24 178.37 3kco h HIS 382 N 0.34 0.81 -0.56 4.55 3.86 -1.23 0.44 115.15 123.35 3kco h HIS 382 Ca 0.25 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3kco h HIS 382 Cb 0.29 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3kco h HIS 382 CO -0.18 0.61 0.36 1.25 0.86 0.00 0.00 177.93 180.84 3kco h LEU 383 N 0.77 0.66 -0.22 2.43 5.85 -0.64 -2.15 115.31 122.00 3kco h LEU 383 Ca 0.20 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3kco h LEU 383 Cb 0.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3kco h LEU 383 CO -0.03 0.49 -0.03 0.18 -0.34 0.00 0.00 178.44 178.72 3kco n LEU 384 N -4.68 0.37 -2.22 2.25 4.77 -0.54 -4.90 117.00 112.05 3kco n LEU 384 Ca 0.04 -0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 3kco n LEU 384 Cb 0.03 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3kco n LEU 384 CO 0.35 0.06 -0.06 0.61 -1.33 0.00 0.00 177.39 177.03 3kco n GLY 385 N 1.13 -0.27 2.07 -0.72 0.00 -0.15 -4.92 105.19 102.33 3kco n GLY 385 Ca 0.20 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3kco n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kco n ALA 386 N -2.74 5.57 -2.49 4.61 0.00 0.14 -4.97 120.51 120.62 3kco n ALA 386 Ca -0.12 -3.53 -0.43 0.00 0.00 0.00 0.00 53.44 49.36 3kco n ALA 386 Cb 0.61 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 3kco n ALA 386 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kco s ARG 387 N -3.65 3.08 0.00 0.00 1.81 -1.25 -4.86 118.95 114.08 3kco s ARG 387 Ca 0.57 -0.79 0.32 0.00 -1.72 0.00 0.00 55.73 54.10 3kco s ARG 387 Cb 0.46 -3.97 1.85 0.00 -0.45 0.00 0.00 34.95 32.84 3kco s ARG 387 CO 0.02 -0.85 2.20 0.41 -0.68 0.00 0.00 175.30 176.39