#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbm s ASN 2 N 0.00 0.45 -0.40 7.83 3.04 -1.26 -5.05 114.94 119.55 3kbm s ASN 2 Ca 0.00 -0.06 0.06 0.00 0.04 0.00 0.00 52.86 52.90 3kbm s ASN 2 Cb 0.00 -0.11 0.43 0.00 -1.54 0.00 0.00 41.25 40.03 3kbm s ASN 2 CO 0.00 0.01 1.13 -1.22 -3.04 0.00 0.00 177.10 173.98 3kbm n TYR 3 N 3.29 3.24 -2.98 0.43 4.01 -1.26 -5.04 117.16 118.85 3kbm n TYR 3 Ca -0.16 -2.89 -0.40 0.00 -0.16 0.00 0.00 57.90 54.28 3kbm n TYR 3 Cb 0.56 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 3kbm n TYR 3 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3kbm s GLN 4 N -3.55 4.36 0.54 -0.72 -0.44 -1.26 -4.66 119.66 113.92 3kbm s GLN 4 Ca 0.49 0.91 -0.15 0.00 -2.50 0.00 0.00 55.36 54.11 3kbm s GLN 4 Cb 0.40 -3.51 -0.07 0.00 -1.64 0.00 0.00 33.01 28.19 3kbm s GLN 4 CO -0.13 -0.13 0.99 -1.25 0.50 0.00 0.00 175.29 175.26 3kbm s PRO 5 N 1.48 3.85 0.06 1.67 0.04 -1.26 -5.08 135.00 135.76 3kbm s PRO 5 Ca 0.37 0.88 0.03 0.00 0.04 0.00 0.00 61.00 62.31 3kbm s PRO 5 Cb -0.17 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3kbm s PRO 5 CO 0.15 -0.34 -0.09 0.95 0.04 0.00 0.00 177.00 177.71 3kbm s THR 6 N -2.77 0.70 0.60 1.26 -4.23 -1.25 -4.66 115.64 105.29 3kbm s THR 6 Ca 0.57 -1.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.04 3kbm s THR 6 Cb -0.10 -0.95 0.41 0.00 1.34 0.00 0.00 72.50 73.20 3kbm s THR 6 CO 0.37 -0.47 1.49 -0.65 -0.54 0.00 0.00 174.62 174.83 3kbm h PRO 7 N 4.09 0.00 0.00 3.99 0.11 -1.76 0.68 132.00 139.11 3kbm h PRO 7 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kbm h PRO 7 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kbm h PRO 7 CO 0.46 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.18 3kbm h GLU 8 N 0.00 0.00 0.00 1.05 5.08 -1.95 -2.70 114.58 116.06 3kbm h GLU 8 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3kbm h GLU 8 Cb 2.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.71 3kbm h GLU 8 CO -0.00 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.57 3kbm h ASP 9 N 0.00 0.00 -2.04 1.42 3.32 0.04 -3.47 116.42 115.69 3kbm h ASP 9 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 3kbm h ASP 9 Cb 0.31 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.87 3kbm h ASP 9 CO 0.00 0.00 -0.28 0.54 -1.72 0.00 0.00 179.24 177.78 3kbm n ARG 10 N -2.44 -1.79 -2.91 3.56 5.12 -1.02 -4.68 116.66 112.49 3kbm n ARG 10 Ca 0.04 0.45 -0.41 0.00 -1.93 0.00 0.00 57.85 56.00 3kbm n ARG 10 Cb 0.38 -4.38 -0.04 0.00 -1.16 0.00 0.00 32.46 27.26 3kbm n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3kbm s PHE 11 N -2.71 3.55 0.17 -1.55 0.08 -1.26 -0.46 117.98 115.79 3kbm s PHE 11 Ca 0.09 1.36 0.06 0.00 0.12 0.00 0.00 56.93 58.57 3kbm s PHE 11 Cb -0.04 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 3kbm s PHE 11 CO 0.12 -0.04 -0.13 0.95 -0.10 0.00 0.00 175.22 176.02 3kbm s THR 12 N 1.27 1.48 -0.00 0.64 -4.23 -0.44 0.46 115.64 114.82 3kbm s THR 12 Ca 0.41 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3kbm s THR 12 Cb -0.18 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.78 3kbm s THR 12 CO 0.19 -0.61 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.29 3kbm s PHE 13 N -2.93 0.08 0.45 3.99 0.40 -1.02 -0.71 117.98 118.23 3kbm s PHE 13 Ca 0.18 -0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.28 3kbm s PHE 13 Cb -0.00 -0.06 -0.08 0.00 0.51 0.00 0.00 43.02 43.39 3kbm s PHE 13 CO 0.04 -0.00 1.07 0.20 0.70 0.00 0.00 175.22 177.23 3kbm s GLY 14 N 0.02 2.67 0.44 4.36 0.00 -1.23 -1.53 107.32 112.05 3kbm s GLY 14 Ca -0.00 0.73 0.14 0.00 0.00 0.00 0.00 44.72 45.58 3kbm s GLY 14 CO -0.00 1.12 1.99 1.41 0.00 0.00 0.00 173.10 177.62 3kbm h LEU 15 N 2.04 0.36 0.00 0.66 3.38 -1.65 -1.84 115.31 118.26 3kbm h LEU 15 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kbm h LEU 15 Cb 1.23 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3kbm h LEU 15 CO 0.61 0.22 0.00 -2.67 0.09 0.00 0.00 178.44 176.69 3kbm n TRP 16 N -4.47 0.00 -0.00 1.13 2.14 -1.26 -1.88 117.44 113.10 3kbm n TRP 16 Ca 0.09 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.66 3kbm n TRP 16 Cb 0.34 -0.44 -0.00 0.00 -0.81 0.00 0.00 31.31 30.40 3kbm n TRP 16 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 3kbm h THR 17 N 0.00 0.00 0.00 -1.67 1.35 -1.54 -3.02 112.91 108.03 3kbm h THR 17 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3kbm h THR 17 Cb 0.26 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.68 3kbm h THR 17 CO 0.00 0.00 -0.05 -0.37 -0.25 0.00 0.00 175.52 174.85 3kbm h VAL 18 N -0.00 0.21 -0.02 6.82 -1.51 -1.71 -1.52 116.25 118.51 3kbm h VAL 18 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3kbm h VAL 18 Cb 0.00 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3kbm h VAL 18 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 3kbm n GLY 19 N -0.51 -0.60 3.69 5.19 0.00 -0.79 -4.89 105.19 107.28 3kbm n GLY 19 Ca -0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3kbm n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kbm s TRP 20 N -1.97 2.61 -1.06 1.61 -0.00 -0.57 -4.68 118.94 114.88 3kbm s TRP 20 Ca 0.39 0.46 0.29 0.00 -0.00 0.00 0.00 56.10 57.24 3kbm s TRP 20 Cb 0.19 -3.90 1.23 0.00 -0.00 0.00 0.00 33.47 30.99 3kbm s TRP 20 CO 0.31 -3.54 1.92 1.04 -0.00 0.00 0.00 176.95 176.68 3kbm n GLN 21 N 5.26 0.06 0.00 5.86 6.02 -1.26 -4.89 117.38 128.43 3kbm n GLN 21 Ca 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3kbm n GLN 21 Cb 0.41 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.17 3kbm n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kbm n GLY 22 N 1.47 0.83 3.70 1.08 0.00 -1.26 -1.18 105.19 109.83 3kbm n GLY 22 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3kbm n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbm s ARG 23 N -0.95 4.34 0.26 1.61 3.52 -1.26 -4.40 118.95 122.07 3kbm s ARG 23 Ca 0.00 1.93 0.03 0.00 -0.13 0.00 0.00 55.73 57.56 3kbm s ARG 23 Cb 0.00 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3kbm s ARG 23 CO 0.00 -0.44 0.11 -0.40 -0.81 0.00 0.00 175.30 173.76 3kbm n ASP 24 N 4.54 0.87 0.00 -2.12 5.68 -0.91 -4.98 116.55 119.64 3kbm n ASP 24 Ca 0.11 -2.45 0.07 0.00 -0.50 0.00 0.00 54.79 52.02 3kbm n ASP 24 Cb 0.44 0.76 0.32 0.00 -1.14 0.00 0.00 41.12 41.50 3kbm n ASP 24 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 3kbm n PRO 25 N -0.58 0.03 0.00 0.11 -0.02 -1.26 -2.95 135.00 130.32 3kbm n PRO 25 Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3kbm n PRO 25 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3kbm n PRO 25 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kbm n PHE 26 N -1.47 0.00 -3.51 6.00 3.72 -1.26 -5.09 117.46 115.85 3kbm n PHE 26 Ca 0.04 -0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.04 3kbm n PHE 26 Cb 0.16 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 3kbm n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kbm s GLY 27 N -0.57 -0.50 0.84 1.37 0.00 -1.15 -5.16 107.32 102.15 3kbm s GLY 27 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.91 3kbm s GLY 27 CO 0.00 0.07 1.16 0.99 0.00 0.00 0.00 173.10 175.32 3kbm s ASP 28 N -2.78 4.18 0.39 1.64 1.01 -1.26 -2.14 116.67 117.71 3kbm s ASP 28 Ca 0.03 0.87 -0.27 0.00 0.71 0.00 0.00 52.55 53.88 3kbm s ASP 28 Cb -0.01 -1.40 -0.10 0.00 1.01 0.00 0.00 42.92 42.42 3kbm s ASP 28 CO -0.10 -2.12 1.40 0.00 0.21 0.00 0.00 175.17 174.57 3kbm s ALA 29 N -3.46 3.44 -1.11 5.23 0.00 -1.26 -4.26 121.76 120.34 3kbm s ALA 29 Ca 0.62 1.43 0.12 0.00 0.00 0.00 0.00 51.96 54.14 3kbm s ALA 29 Cb -0.12 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 3kbm s ALA 29 CO 0.51 -0.96 0.71 0.25 0.00 0.00 0.00 175.76 176.27 3kbm n THR 30 N 0.34 0.00 -4.13 0.00 -2.24 -0.32 -4.92 114.28 103.01 3kbm n THR 30 Ca 0.02 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 3kbm n THR 30 Cb 0.41 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.66 3kbm n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kbm s ARG 31 N -1.62 0.62 0.75 -0.78 0.52 -0.88 -4.98 118.95 112.59 3kbm s ARG 31 Ca 0.10 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 3kbm s ARG 31 Cb 0.10 -0.49 0.04 0.00 0.52 0.00 0.00 34.95 35.12 3kbm s ARG 31 CO 0.33 0.11 1.08 -0.98 0.02 0.00 0.00 175.30 175.85 3kbm s ARG 32 N -1.39 2.45 0.36 3.54 1.70 -1.26 -4.71 118.95 119.65 3kbm s ARG 32 Ca -0.06 0.81 -0.28 0.00 -0.47 0.00 0.00 55.73 55.73 3kbm s ARG 32 Cb -0.09 -1.95 -0.11 0.00 -0.57 0.00 0.00 34.95 32.24 3kbm s ARG 32 CO 0.01 -1.41 1.40 0.00 -1.08 0.00 0.00 175.30 174.22 3kbm s ALA 33 N -3.09 3.52 -0.15 7.88 0.00 -1.26 -4.85 121.76 123.81 3kbm s ALA 33 Ca 0.60 1.43 -0.16 0.00 0.00 0.00 0.00 51.96 53.82 3kbm s ALA 33 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3kbm s ALA 33 CO 0.55 -0.87 0.38 -0.51 0.00 0.00 0.00 175.76 175.30 3kbm s LEU 34 N -2.00 4.24 0.04 0.00 1.43 -1.26 -5.05 118.68 116.08 3kbm s LEU 34 Ca 0.51 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 3kbm s LEU 34 Cb -0.43 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 3kbm s LEU 34 CO 0.58 0.04 1.97 -0.67 0.23 0.00 0.00 176.35 178.49 3kbm n ASP 35 N 3.74 4.16 -0.31 2.29 -0.08 -1.26 -4.89 116.55 120.21 3kbm n ASP 35 Ca -0.09 0.91 0.24 0.00 -1.51 0.00 0.00 54.79 54.33 3kbm n ASP 35 Cb 0.52 -1.53 0.53 0.00 2.34 0.00 0.00 41.12 42.98 3kbm n ASP 35 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kbm h PRO 36 N 10.45 0.34 -0.78 -0.67 0.11 -1.97 0.30 132.00 139.79 3kbm h PRO 36 Ca -0.50 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3kbm h PRO 36 Cb 1.24 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3kbm h PRO 36 CO 0.94 0.23 0.37 0.28 -0.21 0.00 0.00 178.00 179.61 3kbm h VAL 37 N 0.35 1.25 -0.56 3.15 2.07 -1.92 -0.20 116.25 120.38 3kbm h VAL 37 Ca 0.58 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3kbm h VAL 37 Cb 1.55 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3kbm h VAL 37 CO -0.26 0.29 0.10 -0.08 0.02 0.00 0.00 177.57 177.64 3kbm h GLU 38 N 1.10 0.90 -0.49 1.57 4.57 -0.82 -2.29 114.58 119.10 3kbm h GLU 38 Ca 0.27 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3kbm h GLU 38 Cb 0.12 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3kbm h GLU 38 CO -0.03 0.83 0.25 1.03 -1.18 0.00 0.00 179.01 179.91 3kbm h SER 39 N 0.85 0.64 -0.50 1.04 0.87 -0.59 -1.11 113.55 114.74 3kbm h SER 39 Ca 0.18 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3kbm h SER 39 Cb 0.37 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3kbm h SER 39 CO 0.01 0.57 0.21 0.58 -0.53 0.00 0.00 176.83 177.67 3kbm h VAL 40 N 0.65 1.21 -0.55 2.23 2.07 -0.88 -1.71 116.25 119.27 3kbm h VAL 40 Ca 0.17 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3kbm h VAL 40 Cb 0.10 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3kbm h VAL 40 CO -0.02 0.24 0.18 0.03 0.02 0.00 0.00 177.57 178.01 3kbm h ARG 41 N 0.67 0.85 -0.52 1.57 3.08 -1.20 -1.44 114.38 117.39 3kbm h ARG 41 Ca 0.17 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3kbm h ARG 41 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3kbm h ARG 41 CO -0.02 0.77 -0.16 0.00 -1.07 0.00 0.00 179.97 179.49 3kbm h ARG 42 N 0.76 1.02 -0.54 0.04 2.47 -1.09 -2.14 114.38 114.90 3kbm h ARG 42 Ca 0.18 -0.41 -0.11 0.00 -1.26 0.00 0.00 59.98 58.38 3kbm h ARG 42 Cb 0.27 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3kbm h ARG 42 CO -0.01 1.10 -0.10 -0.07 0.56 0.00 0.00 179.97 181.45 3kbm h LEU 43 N 0.89 1.01 -1.00 3.04 3.38 -1.25 -1.78 115.31 119.61 3kbm h LEU 43 Ca 0.13 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3kbm h LEU 43 Cb 0.74 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3kbm h LEU 43 CO 0.06 1.11 0.17 0.00 0.09 0.00 0.00 178.44 179.87 3kbm h ALA 44 N 0.97 1.19 0.00 1.53 0.00 -1.12 0.47 119.26 122.30 3kbm h ALA 44 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kbm h ALA 44 Cb 0.66 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kbm h ALA 44 CO 0.05 0.56 -0.11 0.93 0.00 0.00 0.00 179.25 180.67 3kbm h GLU 45 N 0.86 0.00 0.00 0.00 5.08 -0.93 -2.06 114.58 117.54 3kbm h GLU 45 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3kbm h GLU 45 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kbm h GLU 45 CO -0.01 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.40 3kbm n LEU 46 N -4.12 0.00 0.00 1.33 4.77 0.12 -4.87 117.00 114.23 3kbm n LEU 46 Ca -0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3kbm n LEU 46 Cb 0.19 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3kbm n LEU 46 CO 0.33 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3kbm n GLY 47 N 1.30 1.08 3.77 -0.72 0.00 -0.77 -4.69 105.19 105.15 3kbm n GLY 47 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3kbm n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbm s ALA 48 N -2.00 2.52 -0.09 4.61 0.00 -0.98 -2.81 121.76 123.01 3kbm s ALA 48 Ca 0.00 0.64 0.14 0.00 0.00 0.00 0.00 51.96 52.74 3kbm s ALA 48 Cb 0.00 -3.34 -0.24 0.00 0.00 0.00 0.00 23.12 19.55 3kbm s ALA 48 CO 0.00 -1.16 0.49 1.58 0.00 0.00 0.00 175.76 176.67 3kbm n HIS 49 N -2.11 0.72 -1.04 0.00 -0.00 0.17 -4.53 115.22 108.43 3kbm n HIS 49 Ca 0.11 0.26 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 3kbm n HIS 49 Cb 0.52 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.37 3kbm n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3kbm n GLY 50 N 1.62 -1.15 3.34 1.57 0.00 -1.18 -1.80 105.19 107.59 3kbm n GLY 50 Ca -0.22 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 3kbm n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbm s VAL 51 N -2.35 1.45 0.33 1.61 -7.23 -0.47 -2.43 120.40 111.31 3kbm s VAL 51 Ca 0.00 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.12 3kbm s VAL 51 Cb 0.00 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 3kbm s VAL 51 CO 0.00 -0.50 -0.03 0.42 -0.31 0.00 0.00 175.10 174.67 3kbm s THR 52 N -3.15 1.77 -0.05 5.32 -4.23 -0.58 -4.06 115.64 110.65 3kbm s THR 52 Ca 0.24 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 3kbm s THR 52 Cb 0.02 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.25 3kbm s THR 52 CO 0.07 -0.17 0.49 0.72 -0.54 0.00 0.00 174.62 175.19 3kbm s PHE 53 N -2.91 -0.43 0.45 3.99 -0.71 -1.25 -1.49 117.98 115.63 3kbm s PHE 53 Ca 0.32 0.77 -0.14 0.00 -1.04 0.00 0.00 56.93 56.85 3kbm s PHE 53 Cb 0.05 0.24 -0.07 0.00 -1.21 0.00 0.00 43.02 42.03 3kbm s PHE 53 CO 0.15 -0.47 0.87 -1.01 -1.34 0.00 0.00 175.22 173.42 3kbm s HIS 54 N -1.08 3.46 0.22 3.49 3.76 -1.26 -1.02 115.29 122.86 3kbm s HIS 54 Ca -0.11 1.25 -0.11 0.00 -0.15 0.00 0.00 55.06 55.94 3kbm s HIS 54 Cb -0.03 -2.61 0.31 0.00 1.11 0.00 0.00 32.58 31.36 3kbm s HIS 54 CO 0.06 -0.22 1.63 0.38 -0.85 0.00 0.00 174.74 175.74 3kbm h ASP 55 N 1.13 -0.50 0.81 1.40 2.03 -1.80 -0.76 116.42 118.73 3kbm h ASP 55 Ca -0.47 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 3kbm h ASP 55 Cb 1.19 0.38 0.00 0.00 -0.83 0.00 0.00 39.33 40.06 3kbm h ASP 55 CO 0.63 -0.20 0.00 0.47 -1.03 0.00 0.00 179.24 179.11 3kbm n ASP 56 N -5.40 0.29 0.07 4.15 8.00 -1.26 -1.65 116.55 120.76 3kbm n ASP 56 Ca 0.10 0.55 -0.08 0.00 0.71 0.00 0.00 54.79 56.07 3kbm n ASP 56 Cb 0.38 -0.62 0.05 0.00 -0.02 0.00 0.00 41.12 40.91 3kbm n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kbm h ASP 57 N 0.00 0.33 0.01 -2.24 3.32 -1.52 -3.38 116.42 112.95 3kbm h ASP 57 Ca 0.00 -0.22 -0.23 0.00 0.02 0.00 0.00 57.03 56.60 3kbm h ASP 57 Cb 0.41 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3kbm h ASP 57 CO 0.00 0.95 -1.23 0.25 -1.72 0.00 0.00 179.24 177.49 3kbm h LEU 58 N 0.18 0.05 -7.92 1.55 5.85 -1.44 -3.45 115.31 110.13 3kbm h LEU 58 Ca -0.03 -0.59 -0.68 0.00 0.84 0.00 0.00 57.88 57.42 3kbm h LEU 58 Cb 1.30 -0.02 -0.35 0.00 0.37 0.00 0.00 40.66 41.97 3kbm h LEU 58 CO 0.12 1.49 -0.73 -0.63 -0.34 0.00 0.00 178.44 178.35 3kbm s ILE 59 N -2.37 2.63 0.33 4.05 1.01 -0.66 -4.89 121.20 121.31 3kbm s ILE 59 Ca -0.27 -1.63 -0.28 0.00 0.00 0.00 0.00 60.65 58.47 3kbm s ILE 59 Cb 0.05 -2.59 -0.13 0.00 0.01 0.00 0.00 42.46 39.80 3kbm s ILE 59 CO 0.62 -0.17 1.18 -2.65 0.00 0.00 0.00 174.94 173.92 3kbm n PRO 60 N 4.51 1.82 -1.66 2.79 -0.02 -1.26 -4.24 135.00 136.95 3kbm n PRO 60 Ca -0.11 0.64 -0.51 0.00 -2.02 0.00 0.00 63.50 61.51 3kbm n PRO 60 Cb 0.43 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 3kbm n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kbm n PHE 61 N 0.24 2.01 -0.37 6.00 -0.00 -1.26 -2.13 117.46 121.94 3kbm n PHE 61 Ca 0.07 0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.90 3kbm n PHE 61 Cb 0.35 -2.49 0.00 0.00 -0.00 0.00 0.00 39.48 37.34 3kbm n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kbm n GLY 62 N 3.50 0.80 3.77 7.13 0.00 -1.26 -5.06 105.19 114.06 3kbm n GLY 62 Ca 0.20 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3kbm n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kbm s SER 63 N -2.10 6.19 0.71 1.61 0.01 -0.91 -5.00 113.70 114.22 3kbm s SER 63 Ca 0.00 2.55 -0.14 0.00 1.31 0.00 0.00 55.95 59.67 3kbm s SER 63 Cb 0.00 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.63 3kbm s SER 63 CO 0.00 -0.92 1.13 -0.94 0.41 0.00 0.00 173.24 172.91 3kbm s SER 64 N -0.95 4.66 0.50 2.44 1.04 -1.26 -4.78 113.70 115.35 3kbm s SER 64 Ca 0.60 2.04 0.26 0.00 0.48 0.00 0.00 55.95 59.33 3kbm s SER 64 Cb -0.35 -2.55 1.35 0.00 0.10 0.00 0.00 66.02 64.56 3kbm s SER 64 CO 0.44 -1.93 1.90 0.44 0.98 0.00 0.00 173.24 175.07 3kbm h ASP 65 N -0.41 0.12 0.60 7.02 5.19 -1.99 -0.48 116.42 126.48 3kbm h ASP 65 Ca -0.46 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.93 3kbm h ASP 65 Cb 1.25 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.76 3kbm h ASP 65 CO 0.52 0.05 -0.29 -1.28 -3.12 0.00 0.00 179.24 175.12 3kbm h SER 66 N 0.12 -0.68 0.20 6.45 0.87 -2.00 -2.76 113.55 115.75 3kbm h SER 66 Ca 0.41 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 3kbm h SER 66 Cb 1.42 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.56 3kbm h SER 66 CO -0.06 -0.40 -0.10 -0.33 -0.53 0.00 0.00 176.83 175.42 3kbm h GLU 67 N -0.99 0.00 0.42 2.24 5.08 -1.68 -2.20 114.58 117.45 3kbm h GLU 67 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3kbm h GLU 67 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3kbm h GLU 67 CO 0.14 0.10 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.78 3kbm h ARG 68 N 0.00 -0.77 -0.86 2.33 2.43 -1.15 -0.87 114.38 115.49 3kbm h ARG 68 Ca -0.00 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.42 3kbm h ARG 68 Cb 0.23 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.84 3kbm h ARG 68 CO 0.01 -0.51 0.36 1.49 -1.51 0.00 0.00 179.97 179.81 3kbm h GLU 69 N -0.80 0.40 -0.29 0.20 4.81 -1.10 -0.55 114.58 117.25 3kbm h GLU 69 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3kbm h GLU 69 Cb 0.71 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3kbm h GLU 69 CO -0.04 0.26 0.12 1.49 -0.73 0.00 0.00 179.01 180.12 3kbm h GLU 70 N 0.41 0.42 -0.56 1.92 4.57 -1.16 -1.38 114.58 118.79 3kbm h GLU 70 Ca 0.51 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.55 3kbm h GLU 70 Cb 0.92 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 3kbm h GLU 70 CO -0.50 0.43 0.06 0.45 -1.18 0.00 0.00 179.01 178.27 3kbm h HIS 71 N 0.32 0.98 -0.36 0.92 3.86 0.09 -1.67 115.15 119.29 3kbm h HIS 71 Ca 0.10 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 3kbm h HIS 71 Cb 0.15 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3kbm h HIS 71 CO -0.01 0.86 -0.29 0.28 0.86 0.00 0.00 177.93 179.62 3kbm h VAL 72 N 0.87 1.28 -0.47 2.45 2.07 -0.98 -2.64 116.25 118.83 3kbm h VAL 72 Ca 0.17 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.27 3kbm h VAL 72 Cb 0.43 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3kbm h VAL 72 CO 0.01 0.48 0.25 0.50 0.02 0.00 0.00 177.57 178.84 3kbm h LYS 73 N 0.62 0.49 -0.56 1.57 3.64 -0.99 -0.06 116.57 121.27 3kbm h LYS 73 Ca 0.06 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3kbm h LYS 73 Cb 0.87 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3kbm h LYS 73 CO 0.08 0.32 -0.03 0.00 -2.27 0.00 0.00 179.45 177.55 3kbm h ARG 74 N 0.50 1.00 0.54 1.90 3.08 -1.26 -2.19 114.38 117.95 3kbm h ARG 74 Ca 0.20 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3kbm h ARG 74 Cb 0.08 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kbm h ARG 74 CO -0.12 1.00 -0.26 0.35 -1.07 0.00 0.00 179.97 179.87 3kbm h PHE 75 N 0.91 -0.67 -0.96 3.04 3.57 -1.07 -2.16 116.94 119.59 3kbm h PHE 75 Ca 0.16 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.84 3kbm h PHE 75 Cb 0.57 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.42 3kbm h PHE 75 CO 0.04 -0.40 0.55 -0.09 -2.23 0.00 0.00 178.31 176.18 3kbm h ARG 76 N -0.78 0.63 -0.53 1.11 9.65 -1.00 0.88 114.38 124.34 3kbm h ARG 76 Ca -0.07 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.65 3kbm h ARG 76 Cb 0.58 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 3kbm h ARG 76 CO 0.12 0.42 -0.13 0.37 2.80 0.00 0.00 179.97 183.55 3kbm h GLN 77 N 0.65 1.03 -0.42 0.20 5.75 -1.23 -1.05 115.11 120.04 3kbm h GLN 77 Ca 0.57 -0.39 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 3kbm h GLN 77 Cb 0.95 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 3kbm h GLN 77 CO -0.42 1.08 0.07 0.00 -2.65 0.00 0.00 178.83 176.92 3kbm h ALA 78 N 0.93 1.34 -0.44 3.38 0.00 -0.24 0.73 119.26 124.97 3kbm h ALA 78 Ca 0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3kbm h ALA 78 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kbm h ALA 78 CO 0.05 0.46 -0.21 -0.07 0.00 0.00 0.00 179.25 179.49 3kbm h LEU 79 N 0.62 0.89 -0.69 0.00 3.38 -0.77 -2.15 115.31 116.59 3kbm h LEU 79 Ca 0.14 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3kbm h LEU 79 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kbm h LEU 79 CO 0.00 1.07 -0.37 0.44 0.09 0.00 0.00 178.44 179.67 3kbm h ASP 80 N 0.76 0.62 0.25 -0.43 3.32 -0.71 0.24 116.42 120.47 3kbm h ASP 80 Ca 0.10 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3kbm h ASP 80 Cb 0.75 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3kbm h ASP 80 CO 0.06 0.94 -0.35 0.44 -1.72 0.00 0.00 179.24 178.60 3kbm h ASP 81 N 0.50 0.16 0.00 6.45 3.32 -0.65 -3.29 116.42 122.90 3kbm h ASP 81 Ca 0.05 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3kbm h ASP 81 Cb 0.87 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3kbm h ASP 81 CO 0.07 0.51 -1.20 0.35 -1.72 0.00 0.00 179.24 177.25 3kbm n THR 82 N -4.09 0.00 -0.97 0.35 -2.24 -0.83 -5.00 114.28 101.51 3kbm n THR 82 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3kbm n THR 82 Cb 0.42 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3kbm n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbm n GLY 83 N 1.68 0.49 3.78 3.38 0.00 0.83 -5.03 105.19 110.33 3kbm n GLY 83 Ca -0.01 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3kbm n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kbm s MET 84 N -0.40 4.23 0.37 1.61 -1.94 -1.13 -4.98 119.30 117.06 3kbm s MET 84 Ca 0.00 1.47 0.07 0.00 -1.71 0.00 0.00 55.69 55.53 3kbm s MET 84 Cb 0.00 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 3kbm s MET 84 CO 0.00 -0.07 0.36 0.15 -0.01 0.00 0.00 175.02 175.44 3kbm s LYS 85 N -2.46 2.71 -0.56 2.03 -0.14 -0.75 -4.80 119.74 115.78 3kbm s LYS 85 Ca 0.57 -1.34 0.04 0.00 -1.36 0.00 0.00 55.97 53.88 3kbm s LYS 85 Cb -0.21 -2.50 0.16 0.00 -1.68 0.00 0.00 37.83 33.60 3kbm s LYS 85 CO 0.26 -0.03 0.37 0.08 -0.76 0.00 0.00 175.35 175.28 3kbm s VAL 86 N -2.35 1.99 -0.92 3.17 1.01 -1.26 -1.37 120.40 120.66 3kbm s VAL 86 Ca 0.45 -3.41 0.27 0.00 0.00 0.00 0.00 61.98 59.29 3kbm s VAL 86 Cb -0.06 -2.34 0.17 0.00 0.00 0.00 0.00 36.38 34.16 3kbm s VAL 86 CO 0.28 -0.99 1.73 -0.81 0.00 0.00 0.00 175.10 175.30 3kbm n PRO 87 N 2.69 0.07 -3.83 2.72 -0.05 -1.26 -2.67 135.00 132.68 3kbm n PRO 87 Ca 0.17 0.04 -0.12 0.00 -0.05 0.00 0.00 63.50 63.54 3kbm n PRO 87 Cb 0.37 -1.57 -0.11 0.00 -0.05 0.00 0.00 33.50 32.14 3kbm n PRO 87 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 175.50 176.86 3kbm s MET 88 N -3.03 0.38 0.23 0.54 -2.45 -1.26 -1.52 119.30 112.18 3kbm s MET 88 Ca 0.12 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.53 3kbm s MET 88 Cb 0.17 0.17 -0.05 0.00 1.25 0.00 0.00 34.83 36.37 3kbm s MET 88 CO 0.60 -0.08 0.09 0.00 1.05 0.00 0.00 175.02 176.68 3kbm s ALA 89 N -0.62 1.51 0.30 4.11 0.00 -0.73 -3.90 121.76 122.43 3kbm s ALA 89 Ca -0.07 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 49.98 3kbm s ALA 89 Cb -0.04 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.14 3kbm s ALA 89 CO 0.01 -0.47 0.59 -0.08 0.00 0.00 0.00 175.76 175.81 3kbm s THR 90 N -3.85 0.00 -0.01 0.00 -1.32 -0.19 -1.07 115.64 109.19 3kbm s THR 90 Ca 0.36 -1.29 0.03 0.00 -1.21 0.00 0.00 61.69 59.58 3kbm s THR 90 Cb 0.07 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.64 3kbm s THR 90 CO 0.11 0.00 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.56 3kbm s THR 91 N -3.45 3.62 -0.59 5.08 2.01 -1.26 -2.34 115.64 118.71 3kbm s THR 91 Ca 0.20 -0.71 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 3kbm s THR 91 Cb -0.03 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 70.00 3kbm s THR 91 CO 0.11 0.45 0.86 0.21 -0.69 0.00 0.00 174.62 175.56 3kbm s ASN 92 N -1.25 6.23 -0.35 3.53 3.84 -1.26 -4.85 114.94 120.84 3kbm s ASN 92 Ca 0.16 -0.86 0.06 0.00 0.21 0.00 0.00 52.86 52.43 3kbm s ASN 92 Cb -0.11 -2.38 0.46 0.00 -0.55 0.00 0.00 41.25 38.67 3kbm s ASN 92 CO 0.06 -1.23 1.35 0.18 -2.79 0.00 0.00 177.10 174.67 3kbm n LEU 93 N 7.15 5.21 0.00 3.21 4.77 -1.26 -4.71 117.00 131.37 3kbm n LEU 93 Ca -0.04 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 3kbm n LEU 93 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3kbm n LEU 93 CO 0.61 1.90 0.00 2.22 -1.33 0.00 0.00 177.39 180.80 3kbm n PHE 94 N -0.80 0.00 -0.01 -1.77 1.16 -1.26 -4.51 117.46 110.27 3kbm n PHE 94 Ca 0.45 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.85 3kbm n PHE 94 Cb 0.91 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.64 3kbm n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 3kbm h THR 95 N 0.00 1.48 -3.48 1.97 2.02 -1.94 -3.46 112.91 109.50 3kbm h THR 95 Ca 0.00 -2.42 -0.53 0.00 0.77 0.00 0.00 66.41 64.23 3kbm h THR 95 Cb 0.00 3.10 0.08 0.00 -1.74 0.00 0.00 68.15 69.59 3kbm h THR 95 CO 0.00 0.64 0.82 -2.28 0.37 0.00 0.00 175.52 175.07 3kbm s HIS 96 N -2.36 2.80 0.57 3.16 2.46 -1.26 -4.88 115.29 115.79 3kbm s HIS 96 Ca -0.18 0.95 0.31 0.00 0.47 0.00 0.00 55.06 56.61 3kbm s HIS 96 Cb 0.01 -3.98 1.43 0.00 -0.13 0.00 0.00 32.58 29.91 3kbm s HIS 96 CO 0.75 -3.16 1.79 -1.35 -2.47 0.00 0.00 174.74 170.30 3kbm h PRO 97 N 4.48 0.00 0.00 2.88 0.11 -2.03 0.80 132.00 138.24 3kbm h PRO 97 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kbm h PRO 97 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kbm h PRO 97 CO 0.75 0.00 -0.02 -0.24 -0.21 0.00 0.00 178.00 178.29 3kbm h VAL 98 N 0.00 0.08 -0.45 3.15 3.04 -1.96 -1.77 116.25 118.35 3kbm h VAL 98 Ca 0.37 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.73 3kbm h VAL 98 Cb 1.77 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 32.34 3kbm h VAL 98 CO -0.00 0.02 0.01 0.49 -1.01 0.00 0.00 177.57 177.07 3kbm n PHE 99 N -3.16 1.62 0.29 3.17 3.72 0.27 -4.55 117.46 118.82 3kbm n PHE 99 Ca -0.01 -0.57 0.16 0.00 -0.05 0.00 0.00 57.45 56.98 3kbm n PHE 99 Cb 0.21 -0.42 0.87 0.00 -0.94 0.00 0.00 39.48 39.19 3kbm n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3kbm h LYS 100 N 3.03 0.00 -0.34 -1.08 2.10 -1.46 0.33 116.57 119.15 3kbm h LYS 100 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3kbm h LYS 100 Cb 1.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 3kbm h LYS 100 CO 0.39 0.06 0.00 -3.47 -2.00 0.00 0.00 179.45 174.42 3kbm n ASP 101 N -3.52 3.74 0.00 7.07 2.03 -1.26 -5.04 116.55 119.56 3kbm n ASP 101 Ca -0.02 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.66 3kbm n ASP 101 Cb 0.17 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 3kbm n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kbm n GLY 102 N 0.03 1.33 0.57 0.27 0.00 0.12 -3.68 105.19 103.82 3kbm n GLY 102 Ca 0.19 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3kbm n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbm n GLY 103 N -0.62 -0.01 0.22 -0.02 0.00 -1.26 -4.31 105.19 99.18 3kbm n GLY 103 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3kbm n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kbm h PHE 104 N 0.00 0.00 0.00 1.61 0.04 -1.89 -3.25 116.94 113.45 3kbm h PHE 104 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kbm h PHE 104 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3kbm h PHE 104 CO 0.00 0.20 -0.04 0.25 -0.60 0.00 0.00 178.31 178.12 3kbm n THR 105 N -3.26 1.65 -1.61 -1.55 -2.24 -1.26 -4.48 114.28 101.54 3kbm n THR 105 Ca 0.01 -1.97 -0.42 0.00 -2.27 0.00 0.00 64.05 59.41 3kbm n THR 105 Cb 0.49 -0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3kbm n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbm n ALA 106 N -1.24 0.15 0.04 6.98 0.00 -1.23 -4.88 120.51 120.34 3kbm n ALA 106 Ca 0.13 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 3kbm n ALA 106 Cb 0.62 -2.08 0.25 0.00 0.00 0.00 0.00 19.45 18.24 3kbm n ALA 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kbm h ASN 107 N 1.57 0.41 -2.87 0.00 2.35 -1.93 -3.42 115.58 111.70 3kbm h ASN 107 Ca -0.44 -0.13 -0.56 0.00 -0.55 0.00 0.00 56.30 54.62 3kbm h ASN 107 Cb 1.34 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 3kbm h ASN 107 CO 0.57 0.64 0.95 -1.81 -1.65 0.00 0.00 177.43 176.13 3kbm s ASP 108 N -6.82 6.84 0.32 5.81 1.01 -1.26 -4.91 116.67 117.66 3kbm s ASP 108 Ca -0.06 1.75 0.02 0.00 0.71 0.00 0.00 52.55 54.96 3kbm s ASP 108 Cb 0.14 -2.54 0.52 0.00 1.01 0.00 0.00 42.92 42.06 3kbm s ASP 108 CO 0.77 -0.84 1.87 -0.09 0.21 0.00 0.00 175.17 177.09 3kbm h ARG 109 N 8.66 0.68 0.00 8.23 2.43 -2.00 -2.26 114.38 130.12 3kbm h ARG 109 Ca -0.29 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 3kbm h ARG 109 Cb 1.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3kbm h ARG 109 CO 0.97 0.63 -0.25 0.38 -1.51 0.00 0.00 179.97 180.20 3kbm h ASP 110 N 0.66 0.00 -0.02 -3.80 2.03 -1.96 -2.04 116.42 111.30 3kbm h ASP 110 Ca 0.15 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.28 3kbm h ASP 110 Cb 0.27 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 3kbm h ASP 110 CO -0.00 0.25 -0.58 0.58 -1.03 0.00 0.00 179.24 178.45 3kbm h VAL 111 N 0.00 1.31 -0.69 4.15 2.07 -1.78 -2.71 116.25 118.61 3kbm h VAL 111 Ca -0.00 -1.83 -0.06 0.00 0.82 0.00 0.00 66.70 65.63 3kbm h VAL 111 Cb 0.62 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3kbm h VAL 111 CO 0.03 0.57 0.21 0.03 0.02 0.00 0.00 177.57 178.43 3kbm h ARG 112 N 0.47 1.07 -0.53 1.57 3.08 -1.10 -1.27 114.38 117.67 3kbm h ARG 112 Ca 0.00 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 3kbm h ARG 112 Cb 1.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3kbm h ARG 112 CO 0.11 0.92 -0.07 0.00 -1.07 0.00 0.00 179.97 179.86 3kbm h ARG 113 N 1.03 0.99 -0.89 0.04 3.08 -1.38 -2.28 114.38 114.97 3kbm h ARG 113 Ca 0.22 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3kbm h ARG 113 Cb 0.30 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3kbm h ARG 113 CO -0.01 1.03 0.47 -0.92 -1.07 0.00 0.00 179.97 179.48 3kbm h TYR 114 N 0.86 1.24 -0.86 3.04 3.20 -1.33 -1.10 116.97 122.02 3kbm h TYR 114 Ca 0.14 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3kbm h TYR 114 Cb 0.63 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3kbm h TYR 114 CO 0.05 0.87 0.51 0.00 -1.64 0.00 0.00 178.16 177.94 3kbm h ALA 115 N 1.26 1.10 -0.27 1.82 0.00 -0.97 -0.15 119.26 122.05 3kbm h ALA 115 Ca 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kbm h ALA 115 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kbm h ALA 115 CO -0.05 0.58 -0.02 -0.07 0.00 0.00 0.00 179.25 179.69 3kbm h LEU 116 N 1.19 0.49 -0.91 0.00 3.38 -0.99 -2.00 115.31 116.48 3kbm h LEU 116 Ca 0.31 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kbm h LEU 116 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3kbm h LEU 116 CO -0.06 0.71 0.56 0.03 0.09 0.00 0.00 178.44 179.78 3kbm h ARG 117 N 0.27 1.22 -0.62 1.13 2.47 -1.02 -0.92 114.38 116.91 3kbm h ARG 117 Ca 0.07 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 3kbm h ARG 117 Cb 0.47 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3kbm h ARG 117 CO 0.02 0.84 0.16 -0.22 0.56 0.00 0.00 179.97 181.33 3kbm h LYS 118 N 1.25 0.96 -0.15 0.04 3.64 -0.91 -2.39 116.57 119.01 3kbm h LYS 118 Ca 0.33 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3kbm h LYS 118 Cb -0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3kbm h LYS 118 CO -0.06 0.85 -0.00 1.15 -2.27 0.00 0.00 179.45 179.12 3kbm h THR 119 N 0.92 1.26 -0.56 1.00 2.02 -0.97 -3.12 112.91 113.45 3kbm h THR 119 Ca 0.20 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3kbm h THR 119 Cb 0.32 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3kbm h THR 119 CO -0.00 0.25 0.34 0.40 0.37 0.00 0.00 175.52 176.88 3kbm h ILE 120 N -0.00 1.17 -0.86 3.11 2.04 -0.98 0.29 117.51 122.27 3kbm h ILE 120 Ca 0.04 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.63 3kbm h ILE 120 Cb 0.38 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3kbm h ILE 120 CO 0.01 0.17 0.56 -0.09 0.00 0.00 0.00 178.15 178.80 3kbm h ARG 121 N 0.75 0.80 0.00 2.37 2.43 -1.48 -1.38 114.38 117.87 3kbm h ARG 121 Ca 0.20 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 3kbm h ARG 121 Cb -0.02 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3kbm h ARG 121 CO -0.04 0.53 -0.66 -0.97 -1.51 0.00 0.00 179.97 177.32 3kbm h ASN 122 N 0.82 0.00 -0.62 -3.80 -1.24 -1.20 -2.84 115.58 106.70 3kbm h ASN 122 Ca 0.40 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.33 3kbm h ASN 122 Cb 0.45 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 3kbm h ASN 122 CO -0.17 0.66 0.05 0.40 -1.29 0.00 0.00 177.43 177.09 3kbm h ILE 123 N 0.00 1.26 -0.36 2.57 2.04 0.11 0.68 117.51 123.81 3kbm h ILE 123 Ca -0.01 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3kbm h ILE 123 Cb 1.41 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3kbm h ILE 123 CO 0.09 0.40 0.12 0.44 0.00 0.00 0.00 178.15 179.19 3kbm h ASP 124 N 0.97 0.12 -0.90 1.72 3.32 -1.40 -1.59 116.42 118.66 3kbm h ASP 124 Ca 0.18 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kbm h ASP 124 Cb 0.49 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3kbm h ASP 124 CO 0.02 0.10 0.57 0.25 -1.72 0.00 0.00 179.24 178.46 3kbm h LEU 125 N 0.27 1.05 0.20 1.55 5.85 -1.20 -2.32 115.31 120.71 3kbm h LEU 125 Ca 0.17 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3kbm h LEU 125 Cb 0.15 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kbm h LEU 125 CO -0.18 0.79 -0.09 0.00 -0.34 0.00 0.00 178.44 178.62 3kbm h ALA 126 N 1.31 -0.26 -0.71 1.25 0.00 -0.06 -1.93 119.26 118.86 3kbm h ALA 126 Ca 0.33 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3kbm h ALA 126 Cb -0.09 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3kbm h ALA 126 CO -0.07 -0.64 0.41 0.28 0.00 0.00 0.00 179.25 179.23 3kbm h VAL 127 N -0.28 1.00 -0.71 0.00 2.07 -1.28 -0.90 116.25 116.16 3kbm h VAL 127 Ca -0.03 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kbm h VAL 127 Cb 0.21 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3kbm h VAL 127 CO 0.04 0.14 0.43 -0.08 0.02 0.00 0.00 177.57 178.12 3kbm h GLU 128 N 0.77 0.96 -0.00 1.57 4.81 -1.05 -0.95 114.58 120.68 3kbm h GLU 128 Ca 0.31 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3kbm h GLU 128 Cb 0.16 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3kbm h GLU 128 CO -0.17 0.67 -0.00 1.28 -0.73 0.00 0.00 179.01 180.07 3kbm n LEU 129 N -4.39 0.00 0.00 1.64 4.77 -0.67 -4.90 117.00 113.45 3kbm n LEU 129 Ca 0.07 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3kbm n LEU 129 Cb 0.07 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3kbm n LEU 129 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3kbm n GLY 130 N 1.10 0.77 3.77 -0.72 0.00 -0.36 -4.54 105.19 105.20 3kbm n GLY 130 Ca 0.21 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3kbm n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbm s ALA 131 N -2.00 3.34 -0.08 4.61 0.00 -0.43 -4.69 121.76 122.50 3kbm s ALA 131 Ca 0.00 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.15 3kbm s ALA 131 Cb 0.00 -3.37 -0.27 0.00 0.00 0.00 0.00 23.12 19.48 3kbm s ALA 131 CO 0.00 -0.35 0.54 0.39 0.00 0.00 0.00 175.76 176.34 3kbm n GLU 132 N 0.73 0.65 -4.73 0.00 1.02 -0.58 -4.58 120.64 113.16 3kbm n GLU 132 Ca 0.01 -0.12 -0.24 0.00 -0.02 0.00 0.00 57.16 56.79 3kbm n GLU 132 Cb 0.45 -1.58 -0.16 0.00 -0.02 0.00 0.00 31.44 30.13 3kbm n GLU 132 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kbm s THR 133 N -3.38 1.26 -0.21 2.62 2.01 -0.96 -2.13 115.64 114.85 3kbm s THR 133 Ca -0.07 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 3kbm s THR 133 Cb 0.12 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3kbm s THR 133 CO 0.88 0.37 -0.10 -0.47 -0.69 0.00 0.00 174.62 174.61 3kbm s TYR 134 N 0.02 2.92 -0.03 4.92 5.04 0.08 -1.77 117.35 128.52 3kbm s TYR 134 Ca -0.02 -1.33 -0.06 0.00 -2.44 0.00 0.00 57.07 53.22 3kbm s TYR 134 Cb -0.10 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 3kbm s TYR 134 CO 0.01 -0.68 0.22 0.08 -1.34 0.00 0.00 175.55 173.85 3kbm s VAL 135 N 1.38 5.37 -0.18 3.14 1.01 -0.24 -1.11 120.40 129.77 3kbm s VAL 135 Ca 0.04 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3kbm s VAL 135 Cb -0.14 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3kbm s VAL 135 CO -0.07 0.44 -0.16 0.00 0.00 0.00 0.00 175.10 175.31 3kbm s ALA 136 N -1.22 2.19 -0.34 5.51 0.00 -0.02 -4.07 121.76 123.82 3kbm s ALA 136 Ca 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3kbm s ALA 136 Cb -0.13 -1.20 0.09 0.00 0.00 0.00 0.00 23.12 21.88 3kbm s ALA 136 CO 0.13 -0.50 0.07 -0.46 0.00 0.00 0.00 175.76 175.00 3kbm s TRP 137 N 1.34 3.53 -1.42 0.00 -0.00 -1.26 -1.16 118.94 119.96 3kbm s TRP 137 Ca 0.03 -2.46 -0.10 0.00 -0.00 0.00 0.00 56.10 53.57 3kbm s TRP 137 Cb -0.14 -2.69 0.06 0.00 -0.00 0.00 0.00 33.47 30.70 3kbm s TRP 137 CO -0.11 -0.91 2.34 0.41 -0.00 0.00 0.00 176.95 178.67 3kbm n GLY 138 N 4.47 4.66 0.28 5.86 0.00 -1.26 -4.74 105.19 114.46 3kbm n GLY 138 Ca -0.04 -1.82 0.10 0.00 0.00 0.00 0.00 46.02 44.26 3kbm n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kbm h GLY 139 N 7.71 0.00 -2.02 -0.02 0.00 -1.93 -2.18 103.07 104.64 3kbm h GLY 139 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3kbm h GLY 139 CO 1.70 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.78 3kbm n ARG 140 N -4.45 2.30 -2.70 4.80 5.12 -1.26 -4.09 116.66 116.37 3kbm n ARG 140 Ca -0.01 -2.11 -0.43 0.00 -1.93 0.00 0.00 57.85 53.37 3kbm n ARG 140 Cb 0.16 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 3kbm n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3kbm s GLU 141 N -1.42 3.46 0.00 5.56 0.41 -0.82 -3.26 118.70 122.63 3kbm s GLU 141 Ca 0.33 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.96 3kbm s GLU 141 Cb 0.20 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 3kbm s GLU 141 CO 0.28 -1.54 0.00 0.41 -0.49 0.00 0.00 175.26 173.92 3kbm n GLY 142 N 5.05 -0.55 3.50 -1.39 0.00 -1.26 -0.51 105.19 110.04 3kbm n GLY 142 Ca 0.06 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3kbm n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbm s ALA 143 N -1.00 -1.82 -0.31 4.61 0.00 -0.60 -4.91 121.76 117.73 3kbm s ALA 143 Ca 0.00 1.03 0.18 0.00 0.00 0.00 0.00 51.96 53.17 3kbm s ALA 143 Cb 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 23.12 23.23 3kbm s ALA 143 CO 0.00 -0.66 0.52 0.39 0.00 0.00 0.00 175.76 176.01 3kbm n GLU 144 N -0.17 0.77 -4.12 0.00 4.71 -1.26 -1.41 120.64 119.16 3kbm n GLU 144 Ca -0.09 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.16 56.84 3kbm n GLU 144 Cb 0.62 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.54 3kbm n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kbm s SER 145 N -3.59 0.90 0.35 1.62 1.04 -1.26 -4.93 113.70 107.82 3kbm s SER 145 Ca -0.02 -0.86 0.18 0.00 0.48 0.00 0.00 55.95 55.73 3kbm s SER 145 Cb 0.12 0.10 0.52 0.00 0.10 0.00 0.00 66.02 66.86 3kbm s SER 145 CO 0.75 -0.41 1.66 1.23 0.98 0.00 0.00 173.24 177.44 3kbm h GLY 146 N 3.49 0.00 1.29 7.32 0.00 -1.95 -3.14 103.07 110.09 3kbm h GLY 146 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kbm h GLY 146 CO 0.57 0.00 -0.42 0.61 0.00 0.00 0.00 176.54 177.30 3kbm n GLY 147 N 0.49 -1.37 0.22 4.60 0.00 -1.26 -3.87 105.19 104.00 3kbm n GLY 147 Ca 0.00 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.92 3kbm n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbm h ALA 148 N 2.82 1.00 -2.93 4.61 0.00 -1.98 -3.42 119.26 119.36 3kbm h ALA 148 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 3kbm h ALA 148 Cb 0.59 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.00 3kbm h ALA 148 CO 0.00 0.00 -0.69 0.21 0.00 0.00 0.00 179.25 178.77 3kbm s LYS 149 N -3.46 0.08 -0.25 0.00 2.47 -1.25 -5.01 119.74 112.32 3kbm s LYS 149 Ca 0.04 0.18 -0.29 0.00 -1.56 0.00 0.00 55.97 54.34 3kbm s LYS 149 Cb 0.08 -1.19 -0.01 0.00 -1.46 0.00 0.00 37.83 35.25 3kbm s LYS 149 CO 0.54 -0.56 1.42 0.34 0.16 0.00 0.00 175.35 177.25 3kbm s ASP 150 N 2.23 6.60 0.23 1.43 -1.08 -1.26 -4.91 116.67 119.91 3kbm s ASP 150 Ca 0.04 1.43 0.11 0.00 -0.52 0.00 0.00 52.55 53.61 3kbm s ASP 150 Cb -0.15 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 38.91 3kbm s ASP 150 CO -0.09 -1.10 1.47 0.58 0.52 0.00 0.00 175.17 176.55 3kbm h VAL 151 N 5.96 1.34 -0.37 1.11 2.07 -1.98 0.06 116.25 124.44 3kbm h VAL 151 Ca -0.29 -2.54 -0.09 0.00 0.82 0.00 0.00 66.70 64.60 3kbm h VAL 151 Cb 1.12 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 3kbm h VAL 151 CO 1.01 0.69 -0.13 0.03 0.02 0.00 0.00 177.57 179.19 3kbm h ARG 152 N 0.00 0.75 -0.22 1.57 3.08 -1.99 -0.26 114.38 117.31 3kbm h ARG 152 Ca -0.01 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 3kbm h ARG 152 Cb 1.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 3kbm h ARG 152 CO 0.09 0.91 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.29 3kbm h ASP 153 N 0.55 0.36 -0.42 7.04 3.32 -1.94 -1.88 116.42 123.45 3kbm h ASP 153 Ca 0.09 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3kbm h ASP 153 Cb 0.66 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3kbm h ASP 153 CO 0.04 0.56 -0.19 0.00 -1.72 0.00 0.00 179.24 177.93 3kbm h ALA 154 N 1.48 0.79 -0.24 3.45 0.00 -0.65 -1.94 119.26 122.16 3kbm h ALA 154 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3kbm h ALA 154 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kbm h ALA 154 CO 0.03 0.66 -0.28 -0.07 0.00 0.00 0.00 179.25 179.59 3kbm h LEU 155 N 0.80 0.47 -0.67 0.00 3.38 -0.78 0.44 115.31 118.95 3kbm h LEU 155 Ca 0.11 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kbm h LEU 155 Cb 0.74 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3kbm h LEU 155 CO 0.06 0.74 0.39 0.44 0.09 0.00 0.00 178.44 180.16 3kbm h ASP 156 N 0.41 0.59 0.57 -0.43 3.32 -1.12 -0.18 116.42 119.59 3kbm h ASP 156 Ca 0.06 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3kbm h ASP 156 Cb 0.70 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3kbm h ASP 156 CO 0.05 0.39 -0.60 0.03 -1.72 0.00 0.00 179.24 177.40 3kbm h ARG 157 N 0.72 0.02 -0.12 3.56 2.47 -0.58 0.02 114.38 120.48 3kbm h ARG 157 Ca 0.29 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.89 3kbm h ARG 157 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3kbm h ARG 157 CO -0.16 0.61 -0.34 1.98 0.56 0.00 0.00 179.97 182.62 3kbm h MET 158 N 0.02 0.45 -0.66 0.04 4.05 -0.64 -1.71 114.93 116.47 3kbm h MET 158 Ca -0.01 -0.31 -0.03 0.00 -0.28 0.00 0.00 59.70 59.07 3kbm h MET 158 Cb 1.06 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 3kbm h MET 158 CO 0.08 0.93 0.30 -0.22 0.23 0.00 0.00 176.91 178.23 3kbm h LYS 159 N 0.04 0.97 -0.85 0.39 3.64 -0.95 -0.92 116.57 118.89 3kbm h LYS 159 Ca -0.01 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3kbm h LYS 159 Cb 0.95 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 3kbm h LYS 159 CO 0.07 0.79 0.52 1.49 -2.27 0.00 0.00 179.45 180.06 3kbm h GLU 160 N 0.93 0.93 -0.04 1.90 4.81 -0.97 0.86 114.58 122.98 3kbm h GLU 160 Ca 0.23 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3kbm h GLU 160 Cb 0.16 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3kbm h GLU 160 CO -0.02 0.61 0.01 0.00 -0.73 0.00 0.00 179.01 178.88 3kbm h ALA 161 N 1.40 0.06 -0.26 2.92 0.00 -0.60 -2.45 119.26 120.33 3kbm h ALA 161 Ca 0.37 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3kbm h ALA 161 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kbm h ALA 161 CO -0.18 -0.32 -0.28 0.74 0.00 0.00 0.00 179.25 179.21 3kbm h PHE 162 N -0.14 0.59 -0.53 0.00 0.04 -0.89 -1.95 116.94 114.06 3kbm h PHE 162 Ca 0.01 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 3kbm h PHE 162 Cb 0.23 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3kbm h PHE 162 CO 0.00 0.76 0.28 -0.44 -0.60 0.00 0.00 178.31 178.31 3kbm h ASP 163 N 0.45 0.67 -0.50 2.17 3.32 -0.76 -1.02 116.42 120.76 3kbm h ASP 163 Ca 0.06 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3kbm h ASP 163 Cb 0.73 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3kbm h ASP 163 CO 0.06 0.58 0.17 -0.07 -1.72 0.00 0.00 179.24 178.25 3kbm h LEU 164 N 0.71 0.72 -1.39 1.55 3.38 -1.22 0.84 115.31 119.89 3kbm h LEU 164 Ca 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kbm h LEU 164 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3kbm h LEU 164 CO -0.03 0.72 0.08 -0.07 0.09 0.00 0.00 178.44 179.23 3kbm h LEU 165 N 0.67 0.44 -0.57 1.67 3.38 -1.17 -0.66 115.31 119.07 3kbm h LEU 165 Ca 0.16 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kbm h LEU 165 Cb 0.26 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kbm h LEU 165 CO -0.01 0.45 -0.04 1.23 0.09 0.00 0.00 178.44 180.16 3kbm h GLY 166 N 0.71 1.13 0.97 0.83 0.00 -0.60 -1.53 103.07 104.58 3kbm h GLY 166 Ca 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 3kbm h GLY 166 CO -0.00 0.79 0.14 -2.09 0.00 0.00 0.00 176.54 175.37 3kbm h GLU 167 N 0.93 0.76 -0.20 4.80 4.81 -0.38 -2.04 114.58 123.25 3kbm h GLU 167 Ca 0.16 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kbm h GLU 167 Cb 0.61 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3kbm h GLU 167 CO 0.04 0.73 0.13 -0.92 -0.73 0.00 0.00 179.01 178.26 3kbm h TYR 168 N 0.66 0.26 -0.63 0.92 3.20 -1.03 0.11 116.97 120.46 3kbm h TYR 168 Ca 0.15 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3kbm h TYR 168 Cb 0.30 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3kbm h TYR 168 CO 0.02 0.20 0.18 0.28 -1.64 0.00 0.00 178.16 177.19 3kbm h VAL 169 N 0.25 1.25 -0.05 1.81 2.07 -1.24 -1.70 116.25 118.64 3kbm h VAL 169 Ca 0.07 -0.88 -0.23 0.00 0.82 0.00 0.00 66.70 66.49 3kbm h VAL 169 Cb 0.01 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kbm h VAL 169 CO -0.01 0.33 -0.89 0.71 0.02 0.00 0.00 177.57 177.73 3kbm h THR 170 N 0.91 1.33 -0.23 2.57 1.35 -1.20 -2.53 112.91 115.12 3kbm h THR 170 Ca 0.20 -2.22 -0.04 0.00 -0.55 0.00 0.00 66.41 63.80 3kbm h THR 170 Cb 0.32 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 3kbm h THR 170 CO -0.00 0.68 -0.04 0.77 -0.25 0.00 0.00 175.52 176.68 3kbm h SER 171 N 0.36 0.32 0.24 5.36 4.64 -0.66 -2.58 113.55 121.24 3kbm h SER 171 Ca -0.08 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3kbm h SER 171 Cb 1.52 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3kbm h SER 171 CO 0.17 0.41 -0.11 0.00 -0.87 0.00 0.00 176.83 176.43 3kbm n GLN 172 N -4.31 0.90 -1.39 4.77 1.13 -0.65 -4.93 117.38 112.90 3kbm n GLN 172 Ca 0.00 -0.38 -0.13 0.00 -1.94 0.00 0.00 57.00 54.55 3kbm n GLN 172 Cb 0.23 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.03 3kbm n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kbm n GLY 173 N 1.25 1.38 3.77 1.08 0.00 -0.97 -4.99 105.19 106.71 3kbm n GLY 173 Ca 0.16 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3kbm n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbm s TYR 174 N -2.43 2.93 -1.08 1.61 2.02 -0.98 -4.97 117.35 114.46 3kbm s TYR 174 Ca 0.00 1.41 -0.14 0.00 -0.37 0.00 0.00 57.07 57.97 3kbm s TYR 174 Cb 0.00 -3.67 0.18 0.00 -0.40 0.00 0.00 41.96 38.07 3kbm s TYR 174 CO 0.00 -1.97 1.23 0.34 -1.57 0.00 0.00 175.55 173.58 3kbm s ASP 175 N -0.63 6.97 -0.28 2.29 -1.08 -1.26 -4.82 116.67 117.86 3kbm s ASP 175 Ca 0.53 -2.82 -0.23 0.00 -0.52 0.00 0.00 52.55 49.52 3kbm s ASP 175 Cb -0.39 -2.35 0.09 0.00 -1.46 0.00 0.00 42.92 38.81 3kbm s ASP 175 CO 0.51 -0.73 0.78 -0.51 0.52 0.00 0.00 175.17 175.74 3kbm s ILE 176 N 1.24 0.00 0.20 4.11 2.07 -1.26 -4.73 121.20 122.82 3kbm s ILE 176 Ca 0.35 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.67 3kbm s ILE 176 Cb -0.05 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 3kbm s ILE 176 CO -0.05 0.00 0.04 -0.13 -1.91 0.00 0.00 174.94 172.89 3kbm s ARG 177 N 0.66 2.52 0.06 3.50 0.52 -0.91 -4.99 118.95 120.32 3kbm s ARG 177 Ca -0.02 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.08 3kbm s ARG 177 Cb -0.05 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 3kbm s ARG 177 CO -0.05 0.44 0.17 -0.06 0.02 0.00 0.00 175.30 175.81 3kbm s PHE 178 N -1.87 3.42 -0.07 -0.53 0.08 -0.03 -0.74 117.98 118.22 3kbm s PHE 178 Ca 0.29 0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.54 3kbm s PHE 178 Cb -0.09 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 3kbm s PHE 178 CO 0.20 0.57 -0.02 0.00 -0.10 0.00 0.00 175.22 175.87 3kbm s ALA 179 N -1.46 0.82 -0.11 5.36 0.00 -0.26 -0.58 121.76 125.53 3kbm s ALA 179 Ca 0.33 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 3kbm s ALA 179 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3kbm s ALA 179 CO 0.26 -0.36 0.69 0.42 0.00 0.00 0.00 175.76 176.77 3kbm s ILE 180 N 1.70 5.03 -0.41 0.00 1.01 -0.24 -0.84 121.20 127.46 3kbm s ILE 180 Ca 0.02 1.40 -0.10 0.00 0.00 0.00 0.00 60.65 61.96 3kbm s ILE 180 Cb -0.13 -4.02 0.07 0.00 0.01 0.00 0.00 42.46 38.38 3kbm s ILE 180 CO -0.05 0.20 0.25 -0.70 0.00 0.00 0.00 174.94 174.64 3kbm s GLU 181 N 1.18 2.67 0.58 2.79 2.12 -0.31 -0.29 118.70 127.45 3kbm s GLU 181 Ca 0.35 -1.36 -0.16 0.00 0.36 0.00 0.00 54.97 54.16 3kbm s GLU 181 Cb -0.17 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 3kbm s GLU 181 CO 0.15 -0.89 1.05 -2.14 -0.54 0.00 0.00 175.26 172.89 3kbm s PRO 182 N 1.46 3.38 -0.19 4.30 0.02 -1.26 -4.41 135.00 138.31 3kbm s PRO 182 Ca 0.03 1.20 -0.13 0.00 0.02 0.00 0.00 61.00 62.11 3kbm s PRO 182 Cb -0.22 -2.04 0.06 0.00 0.02 0.00 0.00 34.50 32.31 3kbm s PRO 182 CO 0.03 -0.76 0.47 0.21 -0.33 0.00 0.00 177.00 176.63 3kbm s LYS 183 N -4.03 0.50 0.17 5.54 2.20 -1.24 -4.73 119.74 118.15 3kbm s LYS 183 Ca 0.63 0.78 0.08 0.00 -0.36 0.00 0.00 55.97 57.11 3kbm s LYS 183 Cb -0.16 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 3kbm s LYS 183 CO 0.36 -0.12 1.38 -1.00 -0.36 0.00 0.00 175.35 175.61 3kbm h PRO 184 N 6.36 0.00 -2.55 4.03 0.14 -1.72 -3.39 132.00 134.87 3kbm h PRO 184 Ca -0.32 0.00 0.11 0.00 0.14 0.00 0.00 66.00 65.94 3kbm h PRO 184 Cb 1.19 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 32.23 3kbm h PRO 184 CO 0.24 0.88 0.40 0.54 0.14 0.00 0.00 178.00 180.20 3kbm s ASN 185 N -6.74 -0.29 0.02 1.44 4.22 -1.26 -1.83 114.94 110.50 3kbm s ASN 185 Ca 0.00 -0.30 0.00 0.00 -2.14 0.00 0.00 52.86 50.43 3kbm s ASN 185 Cb 0.11 0.53 0.00 0.00 1.28 0.00 0.00 41.25 43.16 3kbm s ASN 185 CO 0.80 -0.94 0.00 1.21 -2.04 0.00 0.00 177.10 176.14 3kbm n GLU 186 N -0.40 -0.98 0.00 3.55 2.13 -1.26 -4.82 120.64 118.85 3kbm n GLU 186 Ca -0.08 1.11 0.14 0.00 0.66 0.00 0.00 57.16 58.99 3kbm n GLU 186 Cb 0.61 -1.00 0.58 0.00 0.27 0.00 0.00 31.44 31.90 3kbm n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3kbm n PRO 187 N 0.34 1.05 -2.88 5.31 -0.04 -1.26 -5.01 135.00 132.51 3kbm n PRO 187 Ca 0.00 -0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 62.70 3kbm n PRO 187 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 3kbm n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kbm s ARG 188 N -2.28 3.63 0.17 0.54 1.81 -1.26 -4.99 118.95 116.58 3kbm s ARG 188 Ca 0.33 0.21 -0.14 0.00 -1.72 0.00 0.00 55.73 54.41 3kbm s ARG 188 Cb 0.20 -2.45 0.12 0.00 -0.45 0.00 0.00 34.95 32.38 3kbm s ARG 188 CO 0.43 -0.05 1.76 0.78 -0.68 0.00 0.00 175.30 177.53 3kbm h GLY 189 N 0.84 0.60 -5.65 -3.53 0.00 -1.87 -3.41 103.07 90.04 3kbm h GLY 189 Ca -0.47 -0.11 -0.29 0.00 0.00 0.00 0.00 47.33 46.46 3kbm h GLY 189 CO 0.63 0.04 -0.74 0.99 0.00 0.00 0.00 176.54 177.46 3kbm s ASP 190 N -5.41 0.33 0.02 0.19 1.01 -0.50 -4.63 116.67 107.69 3kbm s ASP 190 Ca -0.13 -0.04 0.03 0.00 0.71 0.00 0.00 52.55 53.12 3kbm s ASP 190 Cb 0.13 -0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.96 3kbm s ASP 190 CO 0.72 0.01 -0.04 -0.63 0.21 0.00 0.00 175.17 175.44 3kbm s ILE 191 N 0.16 3.83 0.52 0.77 1.01 -0.76 -1.56 121.20 125.17 3kbm s ILE 191 Ca -0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 3kbm s ILE 191 Cb -0.04 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 3kbm s ILE 191 CO -0.00 0.33 1.13 -0.76 0.00 0.00 0.00 174.94 175.63 3kbm s LEU 192 N -1.65 3.82 -0.98 2.97 1.43 0.33 -3.71 118.68 120.89 3kbm s LEU 192 Ca 0.19 2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 55.39 3kbm s LEU 192 Cb -0.11 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 3kbm s LEU 192 CO 0.10 -1.12 0.79 0.18 0.23 0.00 0.00 176.35 176.53 3kbm n LEU 193 N -1.09 -4.54 0.04 1.79 4.77 -1.26 -4.81 117.00 111.90 3kbm n LEU 193 Ca 0.10 -0.68 0.12 0.00 -0.03 0.00 0.00 56.01 55.52 3kbm n LEU 193 Cb 0.50 -2.78 0.49 0.00 -2.33 0.00 0.00 43.42 39.30 3kbm n LEU 193 CO 0.43 -0.05 0.88 -0.81 -1.33 0.00 0.00 177.39 176.51 3kbm n PRO 194 N -3.13 0.08 -4.20 3.23 -0.04 -1.24 -4.02 135.00 125.67 3kbm n PRO 194 Ca -0.09 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 3kbm n PRO 194 Cb 0.59 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 3kbm n PRO 194 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kbm s THR 195 N -3.06 0.16 0.26 0.52 -4.23 -1.26 -2.43 115.64 105.60 3kbm s THR 195 Ca 0.11 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3kbm s THR 195 Cb 0.14 -2.33 0.27 0.00 1.34 0.00 0.00 72.50 71.91 3kbm s THR 195 CO 0.47 -0.20 1.66 0.58 -0.54 0.00 0.00 174.62 176.59 3kbm h VAL 196 N 2.68 0.41 -0.13 2.29 2.07 -1.92 -2.44 116.25 119.20 3kbm h VAL 196 Ca -0.36 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3kbm h VAL 196 Cb 1.23 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3kbm h VAL 196 CO 0.57 0.04 -0.02 1.23 0.02 0.00 0.00 177.57 179.40 3kbm h GLY 197 N 0.20 0.10 1.40 2.17 0.00 -1.96 -0.39 103.07 104.60 3kbm h GLY 197 Ca 0.45 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 3kbm h GLY 197 CO -0.59 -0.04 0.20 0.45 0.00 0.00 0.00 176.54 176.55 3kbm h HIS 198 N 0.01 0.78 -0.20 5.60 -0.00 -1.81 -1.25 115.15 118.27 3kbm h HIS 198 Ca 0.06 -0.04 -0.20 0.00 -0.00 0.00 0.00 60.37 60.19 3kbm h HIS 198 Cb 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 3kbm h HIS 198 CO -0.16 0.62 -0.67 0.00 -0.00 0.00 0.00 177.93 177.71 3kbm h ALA 199 N 1.45 0.42 -0.76 2.45 0.00 -1.17 -1.98 119.26 119.67 3kbm h ALA 199 Ca 0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3kbm h ALA 199 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kbm h ALA 199 CO -0.01 0.69 0.45 -0.07 0.00 0.00 0.00 179.25 180.30 3kbm h LEU 200 N 0.57 0.92 -0.87 0.00 3.38 -0.71 -1.77 115.31 116.83 3kbm h LEU 200 Ca -0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3kbm h LEU 200 Cb 1.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3kbm h LEU 200 CO 0.14 0.72 -0.02 0.00 0.09 0.00 0.00 178.44 179.37 3kbm h ALA 201 N 1.24 1.05 -0.53 1.53 0.00 -1.11 -2.60 119.26 118.85 3kbm h ALA 201 Ca 0.27 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kbm h ALA 201 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kbm h ALA 201 CO -0.05 0.59 0.09 0.35 0.00 0.00 0.00 179.25 180.23 3kbm h PHE 202 N 0.76 0.86 -0.12 0.00 3.57 -1.03 -2.97 116.94 118.01 3kbm h PHE 202 Ca 0.14 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3kbm h PHE 202 Cb 0.49 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kbm h PHE 202 CO 0.03 0.74 -0.10 0.82 -2.23 0.00 0.00 178.31 177.57 3kbm h ILE 203 N 0.79 1.14 0.00 1.41 2.04 -0.92 -1.76 117.51 120.21 3kbm h ILE 203 Ca 0.17 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3kbm h ILE 203 Cb 0.34 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3kbm h ILE 203 CO 0.00 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.73 3kbm n GLU 204 N -4.33 0.05 -0.10 2.37 -0.58 -1.12 -1.92 120.64 115.01 3kbm n GLU 204 Ca -0.01 0.26 0.12 0.00 -0.42 0.00 0.00 57.16 57.11 3kbm n GLU 204 Cb 0.23 -1.58 0.19 0.00 -0.57 0.00 0.00 31.44 29.70 3kbm n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kbm n ARG 205 N -1.67 2.37 -1.95 3.49 5.12 -0.66 -4.96 116.66 118.41 3kbm n ARG 205 Ca 0.04 -2.04 -0.30 0.00 -1.93 0.00 0.00 57.85 53.62 3kbm n ARG 205 Cb 0.21 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.06 3kbm n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kbm s LEU 206 N -1.73 2.99 0.18 0.55 1.43 -0.81 -4.96 118.68 116.33 3kbm s LEU 206 Ca 0.34 1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 54.47 3kbm s LEU 206 Cb 0.21 -3.95 0.06 0.00 0.03 0.00 0.00 46.19 42.55 3kbm s LEU 206 CO 0.31 -1.24 1.56 -0.33 0.23 0.00 0.00 176.35 176.88 3kbm h GLU 207 N -0.55 0.91 -2.85 1.70 4.39 -1.92 -3.34 114.58 112.94 3kbm h GLU 207 Ca -0.45 -0.40 -0.61 0.00 0.34 0.00 0.00 59.36 58.24 3kbm h GLU 207 Cb 1.25 -0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 29.46 3kbm h GLU 207 CO 0.63 1.06 -0.67 0.54 -1.16 0.00 0.00 179.01 179.41 3kbm n ARG 208 N -4.10 1.54 0.12 2.33 1.74 -1.26 -4.94 116.66 112.09 3kbm n ARG 208 Ca -0.00 -4.22 0.18 0.00 -0.77 0.00 0.00 57.85 53.04 3kbm n ARG 208 Cb 0.47 -2.14 0.75 0.00 -1.02 0.00 0.00 32.46 30.52 3kbm n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kbm h PRO 209 N 5.30 0.00 0.00 5.56 0.11 -1.79 -1.71 132.00 139.48 3kbm h PRO 209 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kbm h PRO 209 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3kbm h PRO 209 CO 0.65 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.49 3kbm h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -2.14 114.58 120.66 3kbm h GLU 210 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 3kbm h GLU 210 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3kbm h GLU 210 CO -0.00 0.00 -0.03 1.28 0.05 0.00 0.00 179.01 180.31 3kbm n LEU 211 N -2.46 0.05 -4.15 3.06 4.77 -0.64 -4.91 117.00 112.72 3kbm n LEU 211 Ca 0.01 0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 56.11 3kbm n LEU 211 Cb 0.21 -0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.76 3kbm n LEU 211 CO 0.20 0.01 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.46 3kbm s TYR 212 N -2.80 1.55 0.00 -1.77 1.51 -0.81 -0.85 117.35 114.18 3kbm s TYR 212 Ca 0.21 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3kbm s TYR 212 Cb 0.20 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 41.03 3kbm s TYR 212 CO 0.51 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 3kbm n GLY 213 N 2.81 5.40 3.51 0.71 0.00 0.25 -4.97 105.19 112.90 3kbm n GLY 213 Ca -0.16 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 3kbm n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kbm s VAL 214 N -0.13 2.79 -0.65 1.61 -7.23 -0.27 -1.07 120.40 115.44 3kbm s VAL 214 Ca 0.00 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 3kbm s VAL 214 Cb 0.00 -2.40 0.17 0.00 0.56 0.00 0.00 36.38 34.71 3kbm s VAL 214 CO 0.00 -0.19 0.45 0.21 -0.31 0.00 0.00 175.10 175.26 3kbm s ASN 215 N -2.99 4.35 0.44 4.85 2.47 0.60 -2.85 114.94 121.81 3kbm s ASN 215 Ca 0.25 -3.68 -0.23 0.00 0.42 0.00 0.00 52.86 49.62 3kbm s ASN 215 Cb -0.08 -1.47 -0.08 0.00 -1.45 0.00 0.00 41.25 38.17 3kbm s ASN 215 CO 0.14 -0.11 1.13 -2.84 -3.72 0.00 0.00 177.10 171.70 3kbm s PRO 216 N -1.15 3.87 -0.07 0.43 0.02 -1.26 -4.21 135.00 132.63 3kbm s PRO 216 Ca 0.25 1.70 0.05 0.00 0.02 0.00 0.00 61.00 63.02 3kbm s PRO 216 Cb -0.05 -2.44 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 3kbm s PRO 216 CO -0.16 -0.44 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.84 3kbm s GLU 217 N -2.65 2.68 0.16 5.54 2.12 -1.26 -0.87 118.70 124.41 3kbm s GLU 217 Ca 0.62 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.82 3kbm s GLU 217 Cb -0.27 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 31.91 3kbm s GLU 217 CO 0.33 0.36 1.58 0.28 -0.54 0.00 0.00 175.26 177.27 3kbm h VAL 218 N 5.13 0.16 -0.14 3.70 2.07 -1.65 -2.18 116.25 123.34 3kbm h VAL 218 Ca -0.31 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3kbm h VAL 218 Cb 1.19 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3kbm h VAL 218 CO 0.48 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 179.01 3kbm h GLY 219 N -0.31 0.28 0.82 2.17 0.00 -1.86 -2.92 103.07 101.24 3kbm h GLY 219 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3kbm h GLY 219 CO -0.55 0.20 -0.10 0.45 0.00 0.00 0.00 176.54 176.54 3kbm h HIS 220 N 0.23 0.51 -0.08 5.60 3.86 -1.74 -1.15 115.15 122.38 3kbm h HIS 220 Ca 0.03 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 3kbm h HIS 220 Cb 0.64 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3kbm h HIS 220 CO 0.01 0.73 -0.28 0.93 0.86 0.00 0.00 177.93 180.18 3kbm h GLU 221 N 0.15 0.14 0.00 2.45 4.39 -1.49 -1.95 114.58 118.28 3kbm h GLU 221 Ca 0.05 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3kbm h GLU 221 Cb 0.60 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3kbm h GLU 221 CO 0.03 0.42 -0.09 1.96 -1.16 0.00 0.00 179.01 180.17 3kbm h GLN 222 N 0.13 0.00 0.00 2.33 4.20 -1.26 -1.99 115.11 118.52 3kbm h GLN 222 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kbm h GLN 222 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3kbm h GLN 222 CO 0.04 0.09 0.00 -1.33 -0.67 0.00 0.00 178.83 176.96 3kbm n MET 223 N -3.27 0.05 -0.18 1.46 2.81 -0.47 -0.80 117.12 116.71 3kbm n MET 223 Ca -0.00 0.21 0.07 0.00 -1.81 0.00 0.00 57.70 56.16 3kbm n MET 223 Cb 0.32 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.49 3kbm n MET 223 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kbm n ALA 224 N -1.46 2.25 -1.47 3.04 0.00 -0.84 -4.67 120.51 117.37 3kbm n ALA 224 Ca 0.05 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.27 3kbm n ALA 224 Cb 0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 3kbm n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbm n GLY 225 N 0.73 1.16 3.93 0.00 0.00 0.02 -5.00 105.19 106.03 3kbm n GLY 225 Ca 0.13 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3kbm n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kbm s LEU 226 N -2.93 3.62 -0.44 0.99 1.43 -0.81 -4.99 118.68 115.55 3kbm s LEU 226 Ca 0.00 0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.38 3kbm s LEU 226 Cb 0.00 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3kbm s LEU 226 CO 0.00 -0.68 0.92 0.21 0.23 0.00 0.00 176.35 177.03 3kbm s ASN 227 N -4.18 6.53 0.08 2.29 3.84 -1.26 -4.35 114.94 117.88 3kbm s ASN 227 Ca 0.48 0.20 -0.20 0.00 0.21 0.00 0.00 52.86 53.55 3kbm s ASN 227 Cb -0.10 -2.45 -0.10 0.00 -0.55 0.00 0.00 41.25 38.05 3kbm s ASN 227 CO 0.41 -1.01 1.54 0.15 -2.79 0.00 0.00 177.10 175.40 3kbm h PHE 228 N 8.96 0.36 -0.92 0.43 3.57 -1.91 -2.40 116.94 125.03 3kbm h PHE 228 Ca -0.24 -0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.40 3kbm h PHE 228 Cb 1.08 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 3kbm h PHE 228 CO 0.86 0.50 0.60 -1.35 -2.23 0.00 0.00 178.31 176.69 3kbm h PRO 229 N 0.13 0.52 -0.45 6.41 0.11 -1.92 0.37 132.00 137.17 3kbm h PRO 229 Ca 0.06 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 3kbm h PRO 229 Cb 0.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3kbm h PRO 229 CO 0.01 0.35 -0.26 0.45 -0.21 0.00 0.00 178.00 178.33 3kbm h HIS 230 N 0.54 1.11 -0.65 0.65 3.86 -1.88 -1.02 115.15 117.76 3kbm h HIS 230 Ca 0.49 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 3kbm h HIS 230 Cb 1.03 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 3kbm h HIS 230 CO -0.00 1.10 0.26 0.78 0.86 0.00 0.00 177.93 180.93 3kbm h GLY 231 N 0.86 1.04 1.03 2.45 0.00 -0.74 -1.07 103.07 106.64 3kbm h GLY 231 Ca 0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 3kbm h GLY 231 CO 0.07 0.53 -0.05 -2.22 0.00 0.00 0.00 176.54 174.88 3kbm h ILE 232 N 0.91 1.27 -0.91 2.60 1.08 -0.86 -1.52 117.51 120.08 3kbm h ILE 232 Ca 0.22 -1.16 0.06 0.00 -0.39 0.00 0.00 64.86 63.59 3kbm h ILE 232 Cb 0.20 1.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 3kbm h ILE 232 CO -0.02 0.41 0.57 0.00 -0.69 0.00 0.00 178.15 178.42 3kbm h ALA 233 N 0.92 1.26 -0.57 1.87 0.00 -0.84 0.79 119.26 122.70 3kbm h ALA 233 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kbm h ALA 233 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kbm h ALA 233 CO 0.04 0.33 0.05 0.37 0.00 0.00 0.00 179.25 180.03 3kbm h GLN 234 N 1.04 0.97 -0.21 0.00 4.15 -0.72 -0.07 115.11 120.27 3kbm h GLN 234 Ca 0.40 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3kbm h GLN 234 Cb 0.18 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3kbm h GLN 234 CO -0.18 0.95 0.13 0.00 -1.93 0.00 0.00 178.83 177.80 3kbm h ALA 235 N 0.98 0.27 -0.65 3.38 0.00 -0.54 -2.49 119.26 120.22 3kbm h ALA 235 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kbm h ALA 235 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kbm h ALA 235 CO 0.02 -0.22 0.42 -0.07 0.00 0.00 0.00 179.25 179.40 3kbm h LEU 236 N 0.26 0.72 -1.55 0.00 3.38 -0.67 -1.16 115.31 116.29 3kbm h LEU 236 Ca 0.08 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3kbm h LEU 236 Cb 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3kbm h LEU 236 CO -0.01 0.51 0.42 -0.25 0.09 0.00 0.00 178.44 179.20 3kbm h TRP 237 N 0.85 0.55 -0.00 1.13 7.01 -0.77 -1.23 115.95 123.49 3kbm h TRP 237 Ca 0.24 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3kbm h TRP 237 Cb -0.07 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.81 3kbm h TRP 237 CO -0.03 0.28 -0.17 0.00 -2.79 0.00 0.00 178.44 175.72 3kbm n ALA 238 N -2.49 2.85 -1.97 2.65 0.00 -0.94 -4.92 120.51 115.68 3kbm n ALA 238 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 3kbm n ALA 238 Cb 0.30 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 3kbm n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbm n GLY 239 N 1.37 0.22 0.00 0.00 0.00 -0.46 -4.95 105.19 101.37 3kbm n GLY 239 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3kbm n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbm n LYS 240 N -1.87 2.80 -2.65 1.61 4.76 -0.48 -4.92 118.16 117.41 3kbm n LYS 240 Ca -0.08 -1.44 -0.42 0.00 -2.87 0.00 0.00 58.31 53.50 3kbm n LYS 240 Cb 0.51 -0.97 -0.03 0.00 -1.84 0.00 0.00 35.03 32.70 3kbm n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kbm s LEU 241 N -0.94 3.91 0.18 -0.35 2.96 -1.24 -1.12 118.68 122.08 3kbm s LEU 241 Ca 0.00 -1.66 0.19 0.00 -0.22 0.00 0.00 54.13 52.45 3kbm s LEU 241 Cb 0.00 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 3kbm s LEU 241 CO 0.00 -1.38 1.06 -0.26 -1.32 0.00 0.00 176.35 174.45 3kbm h PHE 242 N 9.44 0.00 -2.34 5.38 -1.00 -1.88 -3.48 116.94 123.05 3kbm h PHE 242 Ca 0.20 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.13 3kbm h PHE 242 Cb 1.01 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.46 3kbm h PHE 242 CO 1.26 0.31 0.48 -1.58 -1.61 0.00 0.00 178.31 177.17 3kbm s HIS 243 N -3.11 -0.21 -0.08 -0.55 2.46 -1.22 -4.86 115.29 107.73 3kbm s HIS 243 Ca -0.00 -0.04 -0.20 0.00 0.47 0.00 0.00 55.06 55.29 3kbm s HIS 243 Cb 0.08 0.61 0.04 0.00 -0.13 0.00 0.00 32.58 33.18 3kbm s HIS 243 CO 0.78 -0.74 0.46 -1.50 -2.47 0.00 0.00 174.74 171.27 3kbm s ILE 244 N -3.25 0.02 -0.22 0.89 2.07 -1.26 -4.04 121.20 115.41 3kbm s ILE 244 Ca 0.10 -0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3kbm s ILE 244 Cb -0.01 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.84 3kbm s ILE 244 CO -0.02 -0.11 -0.06 -1.81 -1.91 0.00 0.00 174.94 171.03 3kbm s ASP 245 N -0.75 4.16 -0.14 4.50 1.11 -0.05 -3.47 116.67 122.02 3kbm s ASP 245 Ca -0.08 -0.50 -0.05 0.00 0.18 0.00 0.00 52.55 52.09 3kbm s ASP 245 Cb -0.03 -1.70 -0.04 0.00 1.07 0.00 0.00 42.92 42.22 3kbm s ASP 245 CO 0.04 -0.04 0.05 -0.76 1.18 0.00 0.00 175.17 175.64 3kbm s LEU 246 N 1.43 3.77 0.00 1.23 1.43 0.78 -1.77 118.68 125.56 3kbm s LEU 246 Ca 0.05 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3kbm s LEU 246 Cb -0.14 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3kbm s LEU 246 CO -0.05 0.26 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 3kbm n ASN 247 N 2.95 0.00 -4.23 2.29 0.23 -1.26 -2.09 115.26 113.14 3kbm n ASN 247 Ca -0.18 -0.72 -0.20 0.00 -0.53 0.00 0.00 54.58 52.95 3kbm n ASN 247 Cb 0.53 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.11 3kbm n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3kbm s GLY 248 N -1.62 1.06 -0.12 4.83 0.00 -0.15 -4.49 107.32 106.83 3kbm s GLY 248 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 3kbm s GLY 248 CO 0.00 -1.21 0.31 1.62 0.00 0.00 0.00 173.10 173.81 3kbm s GLN 249 N -2.13 0.31 -1.14 2.90 2.00 -1.26 -1.80 119.66 118.54 3kbm s GLN 249 Ca 0.05 0.54 -0.07 0.00 -2.00 0.00 0.00 55.36 53.88 3kbm s GLN 249 Cb -0.08 0.03 0.26 0.00 0.80 0.00 0.00 33.01 34.02 3kbm s GLN 249 CO 0.03 -0.11 1.53 0.09 -0.50 0.00 0.00 175.29 176.33 3kbm n ASN 250 N 3.66 5.89 0.00 6.67 3.02 -1.26 -3.45 115.26 129.79 3kbm n ASN 250 Ca -0.19 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 3kbm n ASN 250 Cb 0.56 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3kbm n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kbm n GLY 251 N 2.07 -1.87 3.54 7.41 0.00 -1.26 -4.73 105.19 110.34 3kbm n GLY 251 Ca 0.30 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3kbm n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kbm s ILE 252 N 0.00 4.15 0.03 -0.61 1.01 -1.26 -4.40 121.20 120.13 3kbm s ILE 252 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 3kbm s ILE 252 Cb 0.00 -4.68 0.04 0.00 0.01 0.00 0.00 42.46 37.83 3kbm s ILE 252 CO 0.00 -1.35 0.51 2.29 0.00 0.00 0.00 174.94 176.38 3kbm n LYS 253 N 8.12 0.18 -1.31 2.79 2.85 -1.26 -5.09 118.16 124.44 3kbm n LYS 253 Ca 0.03 -0.49 -0.37 0.00 -1.05 0.00 0.00 58.31 56.44 3kbm n LYS 253 Cb 0.48 0.71 0.06 0.00 -0.65 0.00 0.00 35.03 35.63 3kbm n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3kbm n TYR 254 N -0.36 -0.90 -1.78 5.58 4.11 -1.26 -4.82 117.16 117.73 3kbm n TYR 254 Ca 0.01 0.37 -0.40 0.00 -0.00 0.00 0.00 57.90 57.88 3kbm n TYR 254 Cb 0.25 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.34 37.65 3kbm n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3kbm s ASP 255 N -1.38 5.18 0.07 9.48 2.15 -1.26 -4.88 116.67 126.03 3kbm s ASP 255 Ca 0.66 1.14 0.03 0.00 0.43 0.00 0.00 52.55 54.80 3kbm s ASP 255 Cb -0.37 -2.52 -0.24 0.00 -0.30 0.00 0.00 42.92 39.49 3kbm s ASP 255 CO 0.58 -2.30 1.09 1.56 -0.17 0.00 0.00 175.17 175.93 3kbm h GLN 256 N 16.03 0.11 -6.20 4.34 4.20 -1.87 -3.48 115.11 128.23 3kbm h GLN 256 Ca -0.30 -0.19 -0.45 0.00 0.06 0.00 0.00 58.65 57.77 3kbm h GLN 256 Cb 1.21 0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.08 3kbm h GLN 256 CO 1.10 1.01 -0.82 -0.25 -0.67 0.00 0.00 178.83 179.21 3kbm n ASP 257 N -3.38 -2.14 -4.76 1.46 8.00 -1.25 -4.66 116.55 109.83 3kbm n ASP 257 Ca -0.07 -0.83 -0.30 0.00 0.71 0.00 0.00 54.79 54.30 3kbm n ASP 257 Cb 0.99 -3.88 0.12 0.00 -0.02 0.00 0.00 41.12 38.33 3kbm n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kbm s LEU 258 N -6.89 2.45 0.58 0.64 1.43 -0.75 0.30 118.68 116.44 3kbm s LEU 258 Ca 0.20 1.44 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 3kbm s LEU 258 Cb -0.10 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 3kbm s LEU 258 CO 0.83 -2.32 1.21 0.00 0.23 0.00 0.00 176.35 176.29 3kbm s ARG 259 N -5.02 3.03 0.23 1.70 1.70 -1.26 -0.97 118.95 118.35 3kbm s ARG 259 Ca 0.62 1.83 -0.31 0.00 -0.47 0.00 0.00 55.73 57.40 3kbm s ARG 259 Cb -0.16 -1.96 -0.14 0.00 -0.57 0.00 0.00 34.95 32.12 3kbm s ARG 259 CO 0.56 -1.16 1.36 0.34 -1.08 0.00 0.00 175.30 175.32 3kbm n PHE 260 N -1.51 2.02 0.00 5.89 7.35 -1.26 -2.02 117.46 127.93 3kbm n PHE 260 Ca 0.13 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 3kbm n PHE 260 Cb 0.49 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.90 3kbm n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kbm n GLY 261 N 2.10 2.91 3.71 7.13 0.00 -1.26 -4.49 105.19 115.29 3kbm n GLY 261 Ca 0.12 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3kbm n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbm s ALA 262 N -2.38 1.41 0.00 4.61 0.00 -0.86 -4.32 121.76 120.22 3kbm s ALA 262 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3kbm s ALA 262 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3kbm s ALA 262 CO 0.00 -2.46 0.00 0.41 0.00 0.00 0.00 175.76 173.71 3kbm n GLY 263 N -1.22 0.59 3.43 0.00 0.00 -1.26 -4.10 105.19 102.62 3kbm n GLY 263 Ca 0.06 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 3kbm n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kbm s ASP 264 N -4.00 6.20 0.17 1.61 -1.08 -1.22 -4.88 116.67 113.46 3kbm s ASP 264 Ca 0.00 -1.19 -0.11 0.00 -0.52 0.00 0.00 52.55 50.72 3kbm s ASP 264 Cb 0.00 -2.38 0.06 0.00 -1.46 0.00 0.00 42.92 39.15 3kbm s ASP 264 CO 0.00 -1.31 1.69 0.25 0.52 0.00 0.00 175.17 176.31 3kbm h LEU 265 N 10.84 0.88 -0.86 -1.34 5.85 -1.83 -2.70 115.31 126.15 3kbm h LEU 265 Ca -0.27 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 3kbm h LEU 265 Cb 1.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3kbm h LEU 265 CO 1.15 0.87 -0.26 0.03 -0.34 0.00 0.00 178.44 179.89 3kbm h ARG 266 N 0.84 0.54 -0.27 1.25 2.47 -1.93 -2.31 114.38 114.98 3kbm h ARG 266 Ca 0.19 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 3kbm h ARG 266 Cb 0.33 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3kbm h ARG 266 CO -0.00 0.76 -0.00 0.00 0.56 0.00 0.00 179.97 181.29 3kbm h ALA 267 N 1.24 1.51 -0.26 0.04 0.00 -1.94 -1.59 119.26 118.26 3kbm h ALA 267 Ca 0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kbm h ALA 267 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kbm h ALA 267 CO 0.05 0.36 -0.19 0.00 0.00 0.00 0.00 179.25 179.47 3kbm h ALA 268 N 1.62 1.19 0.06 0.00 0.00 -1.11 0.53 119.26 121.55 3kbm h ALA 268 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kbm h ALA 268 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kbm h ALA 268 CO 0.01 0.52 -0.03 0.35 0.00 0.00 0.00 179.25 180.09 3kbm h PHE 269 N 0.42 -0.08 0.00 0.00 3.57 -0.86 -0.92 116.94 119.07 3kbm h PHE 269 Ca 0.07 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kbm h PHE 269 Cb 0.58 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3kbm h PHE 269 CO 0.02 0.26 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.63 3kbm h TRP 270 N -0.43 0.00 -0.08 0.41 4.06 -1.23 -0.10 115.95 118.58 3kbm h TRP 270 Ca -0.01 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 3kbm h TRP 270 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3kbm h TRP 270 CO 0.04 0.24 -0.24 1.25 -3.56 0.00 0.00 178.44 176.17 3kbm h LEU 271 N 0.00 0.35 -0.80 -4.49 5.85 -0.74 -2.33 115.31 113.15 3kbm h LEU 271 Ca -0.00 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 3kbm h LEU 271 Cb 0.63 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3kbm h LEU 271 CO 0.03 0.90 0.44 0.58 -0.34 0.00 0.00 178.44 180.04 3kbm h VAL 272 N -0.18 1.24 -0.80 1.05 2.07 -0.75 -0.08 116.25 118.80 3kbm h VAL 272 Ca -0.01 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.98 3kbm h VAL 272 Cb 0.86 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3kbm h VAL 272 CO 0.05 0.26 0.49 -0.78 0.02 0.00 0.00 177.57 177.61 3kbm h ASP 273 N 1.10 0.77 -0.02 0.57 3.58 -1.03 -1.70 116.42 119.69 3kbm h ASP 273 Ca 0.28 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 3kbm h ASP 273 Cb 0.03 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3kbm h ASP 273 CO -0.05 0.51 -0.07 0.25 -2.88 0.00 0.00 179.24 177.00 3kbm h LEU 274 N 0.91 0.11 -0.94 2.28 5.85 -0.76 -1.68 115.31 121.08 3kbm h LEU 274 Ca 0.34 -0.62 0.13 0.00 0.84 0.00 0.00 57.88 58.57 3kbm h LEU 274 Cb 0.13 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3kbm h LEU 274 CO -0.16 0.70 0.56 -0.07 -0.34 0.00 0.00 178.44 179.14 3kbm h LEU 275 N -0.48 0.79 0.08 2.25 3.38 -0.87 0.23 115.31 120.70 3kbm h LEU 275 Ca -0.00 0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.74 3kbm h LEU 275 Cb 0.69 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.37 3kbm h LEU 275 CO 0.02 0.40 -1.22 -0.33 0.09 0.00 0.00 178.44 177.40 3kbm h GLU 276 N 0.87 0.50 -0.04 1.13 4.39 -1.30 -0.72 114.58 119.41 3kbm h GLU 276 Ca 0.48 -0.70 -0.18 0.00 0.34 0.00 0.00 59.36 59.30 3kbm h GLU 276 Cb 0.53 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3kbm h GLU 276 CO -0.29 1.31 -0.76 0.66 -1.16 0.00 0.00 179.01 178.77 3kbm h SER 277 N 0.21 0.33 0.89 1.42 4.64 -1.00 -2.82 113.55 117.23 3kbm h SER 277 Ca -0.17 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kbm h SER 277 Cb 1.90 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3kbm h SER 277 CO 0.22 0.97 0.00 0.00 -0.87 0.00 0.00 176.83 177.15 3kbm n ALA 278 N -2.48 2.34 -2.66 5.18 0.00 0.79 -4.90 120.51 118.78 3kbm n ALA 278 Ca -0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 3kbm n ALA 278 Cb 0.72 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.73 3kbm n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbm n GLY 279 N 1.40 0.15 3.61 0.00 0.00 -0.93 -4.96 105.19 104.46 3kbm n GLY 279 Ca 0.08 -0.35 -0.51 0.00 0.00 0.00 0.00 46.02 45.25 3kbm n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kbm n TYR 280 N -3.79 1.69 0.11 1.61 9.36 -0.32 -4.88 117.16 120.93 3kbm n TYR 280 Ca -0.04 0.55 0.02 0.00 3.32 0.00 0.00 57.90 61.75 3kbm n TYR 280 Cb 0.55 -2.38 0.03 0.00 -0.63 0.00 0.00 39.34 36.91 3kbm n TYR 280 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3kbm n SER 281 N 2.74 1.61 -3.64 2.98 3.41 -1.26 -4.91 113.62 114.54 3kbm n SER 281 Ca 0.18 -1.39 -0.26 0.00 -0.26 0.00 0.00 58.87 57.14 3kbm n SER 281 Cb 0.21 -0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.32 3kbm n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kbm n GLY 282 N 0.13 -1.59 3.76 5.00 0.00 -1.26 -5.02 105.19 106.20 3kbm n GLY 282 Ca 0.03 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 3kbm n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kbm s PRO 283 N -5.52 3.26 -0.75 1.61 0.02 -1.26 -4.95 135.00 127.41 3kbm s PRO 283 Ca 0.66 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 3kbm s PRO 283 Cb -0.02 -2.21 0.18 0.00 0.02 0.00 0.00 34.50 32.47 3kbm s PRO 283 CO 0.47 -1.02 0.73 1.03 -0.33 0.00 0.00 177.00 177.87 3kbm s ARG 284 N -2.96 3.41 -0.06 5.54 3.00 0.39 -4.47 118.95 123.80 3kbm s ARG 284 Ca 0.71 -2.14 -0.16 0.00 0.00 0.00 0.00 55.73 54.14 3kbm s ARG 284 Cb -0.34 -4.42 -0.05 0.00 0.00 0.00 0.00 34.95 30.13 3kbm s ARG 284 CO 0.40 -1.36 0.42 -1.58 0.00 0.00 0.00 175.30 173.18 3kbm s HIS 285 N 0.90 3.62 -0.25 -0.53 2.46 -1.23 -1.33 115.29 118.93 3kbm s HIS 285 Ca 0.15 0.91 -0.08 0.00 0.47 0.00 0.00 55.06 56.50 3kbm s HIS 285 Cb -0.16 -2.39 -0.04 0.00 -0.13 0.00 0.00 32.58 29.87 3kbm s HIS 285 CO -0.05 0.42 0.10 -0.06 -2.47 0.00 0.00 174.74 172.68 3kbm s PHE 286 N -0.27 3.13 -0.66 3.88 0.08 0.11 -0.15 117.98 124.10 3kbm s PHE 286 Ca 0.24 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 3kbm s PHE 286 Cb -0.16 -2.27 0.17 0.00 -0.57 0.00 0.00 43.02 40.20 3kbm s PHE 286 CO 0.11 -0.27 0.49 0.34 -0.10 0.00 0.00 175.22 175.80 3kbm s ASP 287 N 1.57 5.48 0.10 1.36 2.15 -0.89 -3.47 116.67 122.96 3kbm s ASP 287 Ca 0.06 -2.84 -0.01 0.00 0.43 0.00 0.00 52.55 50.20 3kbm s ASP 287 Cb -0.15 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.52 3kbm s ASP 287 CO 0.06 -0.40 0.01 0.72 -0.17 0.00 0.00 175.17 175.39 3kbm s PHE 288 N -0.04 0.73 -0.17 -5.34 -0.71 -1.26 -4.60 117.98 106.59 3kbm s PHE 288 Ca 0.17 -1.14 0.01 0.00 -1.04 0.00 0.00 56.93 54.93 3kbm s PHE 288 Cb -0.19 -0.45 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 3kbm s PHE 288 CO -0.04 -0.43 -0.15 0.15 -1.34 0.00 0.00 175.22 173.41 3kbm s LYS 289 N -3.98 2.43 0.16 1.99 1.02 0.15 -4.43 119.74 117.09 3kbm s LYS 289 Ca 0.16 -0.73 -0.32 0.00 0.02 0.00 0.00 55.97 55.11 3kbm s LYS 289 Cb 0.08 -2.34 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 3kbm s LYS 289 CO -0.03 -0.28 1.65 -2.14 -0.92 0.00 0.00 175.35 173.62 3kbm s PRO 290 N 1.40 4.18 0.48 -1.68 0.02 -1.26 -4.70 135.00 133.44 3kbm s PRO 290 Ca 0.03 2.45 -0.22 0.00 0.02 0.00 0.00 61.00 63.28 3kbm s PRO 290 Cb -0.14 -3.24 -0.09 0.00 0.02 0.00 0.00 34.50 31.06 3kbm s PRO 290 CO -0.11 -0.69 0.96 -2.30 -0.33 0.00 0.00 177.00 174.54 3kbm n PRO 291 N 4.37 1.17 0.00 5.54 -0.02 -1.26 -4.83 135.00 139.98 3kbm n PRO 291 Ca 0.15 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 3kbm n PRO 291 Cb 0.38 -2.06 0.44 0.00 -0.02 0.00 0.00 33.50 32.24 3kbm n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kbm n ARG 292 N -0.20 0.34 0.13 -0.52 1.85 -1.26 -1.41 116.66 115.59 3kbm n ARG 292 Ca 0.11 0.08 0.12 0.00 -1.00 0.00 0.00 57.85 57.16 3kbm n ARG 292 Cb 0.42 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 30.82 3kbm n ARG 292 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kbm n THR 293 N -1.18 0.82 -3.57 8.89 -2.24 -1.26 -4.80 114.28 110.94 3kbm n THR 293 Ca 0.09 0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.74 3kbm n THR 293 Cb 0.10 -1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 67.14 3kbm n THR 293 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kbm s GLU 294 N -3.30 3.76 0.42 -0.78 0.41 -0.50 -5.10 118.70 113.61 3kbm s GLU 294 Ca 0.04 0.18 -0.02 0.00 -0.41 0.00 0.00 54.97 54.76 3kbm s GLU 294 Cb 0.09 -2.99 0.09 0.00 -1.78 0.00 0.00 34.13 29.54 3kbm s GLU 294 CO 0.39 0.55 0.58 -0.40 -0.49 0.00 0.00 175.26 175.90 3kbm n ASP 295 N 0.87 0.60 0.28 -0.19 5.68 -1.26 -4.87 116.55 117.65 3kbm n ASP 295 Ca -0.08 -1.55 0.13 0.00 -0.50 0.00 0.00 54.79 52.79 3kbm n ASP 295 Cb 0.52 -0.39 0.79 0.00 -1.14 0.00 0.00 41.12 40.90 3kbm n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3kbm h PHE 296 N -0.69 0.00 -0.31 2.11 0.04 -1.99 -1.13 116.94 114.97 3kbm h PHE 296 Ca -0.19 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.46 3kbm h PHE 296 Cb 0.66 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3kbm h PHE 296 CO 0.00 0.06 -0.31 -0.44 -0.60 0.00 0.00 178.31 177.03 3kbm h ASP 297 N 0.00 0.67 0.78 2.17 3.32 -2.00 -2.15 116.42 119.21 3kbm h ASP 297 Ca -0.00 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 3kbm h ASP 297 Cb 0.15 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3kbm h ASP 297 CO 0.01 0.94 -0.34 1.23 -1.72 0.00 0.00 179.24 179.36 3kbm h GLY 298 N 1.00 0.00 0.90 2.75 0.00 -1.60 -1.80 103.07 104.32 3kbm h GLY 298 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3kbm h GLY 298 CO 0.07 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.53 3kbm h VAL 299 N 0.00 1.08 -0.02 4.60 2.07 -0.68 -0.64 116.25 122.67 3kbm h VAL 299 Ca -0.00 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3kbm h VAL 299 Cb 0.82 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3kbm h VAL 299 CO 0.04 0.07 -0.53 -0.50 0.02 0.00 0.00 177.57 176.67 3kbm h TRP 300 N -0.08 0.05 -0.53 1.57 -0.00 -1.31 -1.91 115.95 113.74 3kbm h TRP 300 Ca 0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 58.77 3kbm h TRP 300 Cb 0.10 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.23 3kbm h TRP 300 CO -0.04 0.57 -0.09 0.00 -0.00 0.00 0.00 178.44 178.87 3kbm h ALA 301 N 1.43 0.83 -0.29 1.49 0.00 -1.12 -1.69 119.26 119.91 3kbm h ALA 301 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kbm h ALA 301 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kbm h ALA 301 CO 0.07 0.66 0.15 1.03 0.00 0.00 0.00 179.25 181.16 3kbm h SER 302 N 0.88 0.37 -0.36 0.00 0.87 -0.78 -0.54 113.55 113.99 3kbm h SER 302 Ca 0.14 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3kbm h SER 302 Cb 0.64 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3kbm h SER 302 CO 0.04 0.37 0.22 0.00 -0.53 0.00 0.00 176.83 176.93 3kbm h ALA 303 N 1.01 0.45 -0.77 6.23 0.00 -1.32 -2.39 119.26 122.47 3kbm h ALA 303 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kbm h ALA 303 Cb 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kbm h ALA 303 CO -0.01 -0.12 0.49 0.00 0.00 0.00 0.00 179.25 179.60 3kbm h ALA 304 N 1.15 0.98 -0.78 0.00 0.00 -1.20 -2.67 119.26 116.75 3kbm h ALA 304 Ca 0.14 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3kbm h ALA 304 Cb -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3kbm h ALA 304 CO -0.05 0.43 0.51 0.78 0.00 0.00 0.00 179.25 180.91 3kbm h GLY 305 N 1.06 1.07 0.79 0.00 0.00 -0.82 -0.87 103.07 104.30 3kbm h GLY 305 Ca 0.28 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.32 3kbm h GLY 305 CO -0.06 0.25 0.53 0.00 0.00 0.00 0.00 176.54 177.26 3kbm h MET 307 N 1.00 0.37 -0.59 0.00 2.86 -1.31 -2.46 114.93 114.79 3kbm h MET 307 Ca 0.35 -0.31 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3kbm h MET 307 Cb 0.09 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 3kbm h MET 307 CO -0.15 0.96 0.20 -0.09 1.06 0.00 0.00 176.91 178.89 3kbm h ARG 308 N -0.12 0.35 -0.32 1.72 2.43 -1.14 -0.16 114.38 117.14 3kbm h ARG 308 Ca -0.03 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3kbm h ARG 308 Cb 1.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3kbm h ARG 308 CO 0.08 0.23 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.54 3kbm h ASN 309 N 0.36 0.72 0.12 -3.80 2.35 -1.21 0.98 115.58 115.11 3kbm h ASN 309 Ca 0.30 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kbm h ASN 309 Cb 0.38 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3kbm h ASN 309 CO -0.32 0.99 -0.08 0.22 -1.65 0.00 0.00 177.43 176.59 3kbm h TYR 310 N 0.59 -0.22 -0.20 1.19 5.03 -1.08 -1.84 116.97 120.45 3kbm h TYR 310 Ca 0.07 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 3kbm h TYR 310 Cb 0.84 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.18 3kbm h TYR 310 CO 0.04 -0.13 -0.00 -0.07 -1.32 0.00 0.00 178.16 176.67 3kbm h LEU 311 N -0.21 0.26 -0.26 2.82 3.38 -0.48 -0.48 115.31 120.35 3kbm h LEU 311 Ca -0.01 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3kbm h LEU 311 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kbm h LEU 311 CO 0.00 0.32 -0.31 0.40 0.09 0.00 0.00 178.44 178.93 3kbm h ILE 312 N 0.28 1.31 -0.45 1.22 2.04 -0.65 -2.53 117.51 118.74 3kbm h ILE 312 Ca 0.07 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 3kbm h ILE 312 Cb 0.20 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3kbm h ILE 312 CO 0.00 0.47 -0.00 -0.07 0.00 0.00 0.00 178.15 178.55 3kbm h LEU 313 N 0.39 0.70 -0.81 1.44 3.38 -1.02 -0.97 115.31 118.42 3kbm h LEU 313 Ca 0.03 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3kbm h LEU 313 Cb 0.89 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3kbm h LEU 313 CO 0.07 0.77 0.53 0.50 0.09 0.00 0.00 178.44 180.40 3kbm h LYS 314 N 0.68 1.02 -0.32 1.13 3.64 -1.07 0.17 116.57 121.83 3kbm h LYS 314 Ca 0.14 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 3kbm h LYS 314 Cb 0.43 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3kbm h LYS 314 CO 0.02 0.68 -0.44 1.49 -2.27 0.00 0.00 179.45 178.92 3kbm h GLU 315 N 1.05 0.81 -0.59 1.90 4.81 -0.93 -2.03 114.58 119.61 3kbm h GLU 315 Ca 0.31 -0.45 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3kbm h GLU 315 Cb -0.05 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3kbm h GLU 315 CO -0.09 1.09 0.05 0.00 -0.73 0.00 0.00 179.01 179.33 3kbm h ARG 316 N 0.65 0.99 -0.35 1.92 2.47 -0.72 -1.43 114.38 117.90 3kbm h ARG 316 Ca 0.04 -0.27 -0.14 0.00 -1.26 0.00 0.00 59.98 58.35 3kbm h ARG 316 Cb 1.02 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 3kbm h ARG 316 CO 0.10 0.94 -0.35 0.00 0.56 0.00 0.00 179.97 181.22 3kbm h ALA 317 N 1.13 0.72 -0.41 0.04 0.00 -0.63 -1.02 119.26 119.08 3kbm h ALA 317 Ca 0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3kbm h ALA 317 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kbm h ALA 317 CO 0.02 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.04 3kbm h ALA 318 N 0.93 0.54 -0.94 0.00 0.00 -1.26 -1.14 119.26 117.39 3kbm h ALA 318 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kbm h ALA 318 Cb 0.90 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3kbm h ALA 318 CO 0.08 0.21 0.55 0.00 0.00 0.00 0.00 179.25 180.09 3kbm h ALA 319 N 0.96 1.20 0.11 0.00 0.00 -1.13 -0.08 119.26 120.32 3kbm h ALA 319 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kbm h ALA 319 Cb 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kbm h ALA 319 CO 0.00 0.67 -0.12 0.35 0.00 0.00 0.00 179.25 180.15 3kbm h PHE 320 N 1.30 -0.31 0.00 0.00 3.57 -0.83 -1.59 116.94 119.09 3kbm h PHE 320 Ca 0.33 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3kbm h PHE 320 Cb -0.03 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3kbm h PHE 320 CO 0.01 -0.18 -0.14 0.00 -2.23 0.00 0.00 178.31 175.76 3kbm h ARG 321 N -0.26 0.00 0.00 1.11 2.47 -0.93 -2.37 114.38 114.40 3kbm h ARG 321 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3kbm h ARG 321 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3kbm h ARG 321 CO -0.04 0.14 -0.33 0.00 0.56 0.00 0.00 179.97 180.30 3kbm h ALA 322 N 1.86 0.78 -2.27 0.04 0.00 -0.54 -3.45 119.26 115.68 3kbm h ALA 322 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3kbm h ALA 322 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kbm h ALA 322 CO 0.02 0.00 0.88 0.34 0.00 0.00 0.00 179.25 180.49 3kbm s ASP 323 N -4.47 6.88 0.40 0.00 -1.08 -0.64 -4.88 116.67 112.88 3kbm s ASP 323 Ca 0.08 1.95 0.10 0.00 -0.52 0.00 0.00 52.55 54.17 3kbm s ASP 323 Cb 0.12 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.88 3kbm s ASP 323 CO 0.67 -0.75 1.95 -0.65 0.52 0.00 0.00 175.17 176.91 3kbm h PRO 324 N 8.20 0.21 -0.42 4.34 0.11 -1.89 0.19 132.00 142.75 3kbm h PRO 324 Ca -0.34 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3kbm h PRO 324 Cb 1.15 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3kbm h PRO 324 CO 0.93 0.33 -0.04 0.93 -0.21 0.00 0.00 178.00 179.93 3kbm h GLU 325 N 0.21 0.70 -0.29 1.05 5.08 -1.95 -0.71 114.58 118.66 3kbm h GLU 325 Ca 0.04 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 3kbm h GLU 325 Cb 0.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kbm h GLU 325 CO 0.02 0.75 -0.48 0.28 -1.00 0.00 0.00 179.01 178.58 3kbm h VAL 326 N 0.65 1.29 -0.23 3.13 2.07 -1.03 -1.57 116.25 120.56 3kbm h VAL 326 Ca 0.12 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 3kbm h VAL 326 Cb 0.47 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3kbm h VAL 326 CO 0.02 0.54 -0.16 1.56 0.02 0.00 0.00 177.57 179.56 3kbm h GLN 327 N 0.62 0.39 -0.26 1.57 4.20 -0.48 -0.48 115.11 120.67 3kbm h GLN 327 Ca 0.03 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 3kbm h GLN 327 Cb 1.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3kbm h GLN 327 CO 0.10 0.54 -0.09 1.49 -0.67 0.00 0.00 178.83 180.21 3kbm h GLU 328 N 0.36 0.52 -0.70 1.46 4.81 -1.04 -2.56 114.58 117.43 3kbm h GLU 328 Ca 0.07 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3kbm h GLU 328 Cb 0.49 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3kbm h GLU 328 CO 0.03 0.75 0.38 0.00 -0.73 0.00 0.00 179.01 179.44 3kbm h ALA 329 N 0.76 1.35 -0.49 2.92 0.00 -0.83 0.67 119.26 123.64 3kbm h ALA 329 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kbm h ALA 329 Cb 0.57 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kbm h ALA 329 CO 0.03 0.53 0.10 -0.07 0.00 0.00 0.00 179.25 179.84 3kbm h LEU 330 N 0.97 0.70 -0.36 0.00 3.38 -1.01 -0.40 115.31 118.59 3kbm h LEU 330 Ca 0.25 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3kbm h LEU 330 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kbm h LEU 330 CO -0.04 0.70 -0.58 0.03 0.09 0.00 0.00 178.44 178.64 3kbm h ARG 331 N 0.72 0.75 0.00 1.13 3.08 -0.98 -0.93 114.38 118.15 3kbm h ARG 331 Ca 0.16 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 3kbm h ARG 331 Cb 0.29 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kbm h ARG 331 CO -0.00 1.12 -0.11 0.00 -1.07 0.00 0.00 179.97 179.91 3kbm h ALA 332 N 0.77 1.54 -0.12 0.04 0.00 0.01 -1.97 119.26 119.53 3kbm h ALA 332 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kbm h ALA 332 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kbm h ALA 332 CO 0.12 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.94 3kbm n SER 333 N -4.00 2.29 -2.05 0.00 7.64 -0.24 -4.76 113.62 112.49 3kbm n SER 333 Ca -0.02 -1.77 -0.16 0.00 1.01 0.00 0.00 58.87 57.92 3kbm n SER 333 Cb 0.20 -0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 3kbm n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kbm n ARG 334 N 0.76 -2.44 0.11 1.43 3.00 -0.74 -4.90 116.66 113.88 3kbm n ARG 334 Ca 0.17 0.73 0.19 0.00 -0.01 0.00 0.00 57.85 58.92 3kbm n ARG 334 Cb 0.46 -5.12 0.75 0.00 0.00 0.00 0.00 32.46 28.55 3kbm n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3kbm h LEU 335 N -0.51 0.00 -0.64 0.55 -0.00 -1.44 -2.11 115.31 111.17 3kbm h LEU 335 Ca -0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.37 3kbm h LEU 335 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 3kbm h LEU 335 CO 0.44 0.00 -0.23 -2.24 -0.00 0.00 0.00 178.44 176.40 3kbm h ASP 336 N 0.00 0.83 0.73 -0.43 2.03 -1.88 -2.73 116.42 114.98 3kbm h ASP 336 Ca 0.17 -0.31 -0.09 0.00 -0.73 0.00 0.00 57.03 56.07 3kbm h ASP 336 Cb 0.79 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 3kbm h ASP 336 CO -0.00 1.03 -0.41 -0.33 -1.03 0.00 0.00 179.24 178.51 3kbm h GLU 337 N 0.71 0.00 -0.56 4.15 5.08 -1.78 -3.02 114.58 119.16 3kbm h GLU 337 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kbm h GLU 337 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3kbm h GLU 337 CO 0.06 0.41 0.31 1.25 -1.00 0.00 0.00 179.01 180.04 3kbm h LEU 338 N 0.00 0.68 0.00 1.33 5.85 -1.13 -1.15 115.31 120.89 3kbm h LEU 338 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3kbm h LEU 338 Cb 0.88 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3kbm h LEU 338 CO 0.05 0.54 0.00 0.00 -0.34 0.00 0.00 178.44 178.70 3kbm n ALA 339 N -2.45 2.53 -2.76 1.25 0.00 -1.14 -4.79 120.51 113.15 3kbm n ALA 339 Ca 0.05 -0.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 3kbm n ALA 339 Cb 0.09 -1.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 3kbm n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kbm s ARG 340 N -2.36 3.59 0.38 0.00 0.52 -0.44 -5.03 118.95 115.60 3kbm s ARG 340 Ca 0.35 -0.02 -0.27 0.00 -0.52 0.00 0.00 55.73 55.26 3kbm s ARG 340 Cb 0.20 -3.13 -0.11 0.00 0.52 0.00 0.00 34.95 32.43 3kbm s ARG 340 CO 0.42 0.69 1.32 -2.30 0.02 0.00 0.00 175.30 175.45 3kbm n PRO 341 N 1.47 2.15 -0.08 3.54 -0.02 -1.26 -4.89 135.00 135.90 3kbm n PRO 341 Ca -0.14 0.76 -0.07 0.00 -2.02 0.00 0.00 63.50 62.03 3kbm n PRO 341 Cb 0.53 -2.40 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 3kbm n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kbm h THR 342 N 2.45 1.27 -1.06 3.45 2.02 -1.94 -3.39 112.91 115.71 3kbm h THR 342 Ca -0.47 -1.27 -0.39 0.00 0.77 0.00 0.00 66.41 65.04 3kbm h THR 342 Cb 1.28 1.16 -0.28 0.00 -1.74 0.00 0.00 68.15 68.58 3kbm h THR 342 CO 0.62 0.43 -0.83 0.00 0.37 0.00 0.00 175.52 176.11 3kbm n ALA 343 N -2.49 0.66 0.59 6.16 0.00 -1.26 -4.90 120.51 119.25 3kbm n ALA 343 Ca 0.00 -2.48 0.10 0.00 0.00 0.00 0.00 53.44 51.07 3kbm n ALA 343 Cb 0.41 -1.05 0.41 0.00 0.00 0.00 0.00 19.45 19.22 3kbm n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kbm n ALA 344 N 1.03 1.84 0.38 0.00 0.00 -1.26 -1.79 120.51 120.70 3kbm n ALA 344 Ca 0.16 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.70 3kbm n ALA 344 Cb 0.62 -1.33 0.47 0.00 0.00 0.00 0.00 19.45 19.21 3kbm n ALA 344 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kbm h ASP 345 N 0.00 0.00 -5.00 0.00 2.03 -1.95 -3.49 116.42 108.00 3kbm h ASP 345 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kbm h ASP 345 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 3kbm h ASP 345 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 3kbm n GLY 346 N 0.50 1.92 0.19 7.15 0.00 -0.74 -4.40 105.19 109.80 3kbm n GLY 346 Ca 0.03 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 3kbm n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kbm h LEU 347 N 0.00 0.22 -0.07 0.99 5.85 -1.96 -1.55 115.31 118.80 3kbm h LEU 347 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kbm h LEU 347 Cb 0.00 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3kbm h LEU 347 CO 0.00 0.16 0.03 -0.61 -0.34 0.00 0.00 178.44 177.68 3kbm h GLN 348 N 0.37 0.10 0.00 1.25 5.75 -2.00 0.55 115.11 121.13 3kbm h GLN 348 Ca 0.22 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 3kbm h GLN 348 Cb 0.19 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3kbm h GLN 348 CO -0.20 0.18 -0.17 0.00 -2.65 0.00 0.00 178.83 175.99 3kbm h ALA 349 N 0.91 1.27 -0.19 3.38 0.00 -1.74 -1.80 119.26 121.08 3kbm h ALA 349 Ca 0.02 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 3kbm h ALA 349 Cb 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kbm h ALA 349 CO -0.00 0.22 -0.69 1.25 0.00 0.00 0.00 179.25 180.03 3kbm h LEU 350 N 0.00 0.93 -1.59 0.00 5.85 -0.54 -1.75 115.31 118.22 3kbm h LEU 350 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 3kbm h LEU 350 Cb 0.45 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3kbm h LEU 350 CO 0.02 1.38 0.14 -0.07 -0.34 0.00 0.00 178.44 179.57 3kbm h LEU 351 N 0.54 0.37 -0.09 2.25 3.38 -0.32 -2.22 115.31 119.22 3kbm h LEU 351 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kbm h LEU 351 Cb 1.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kbm h LEU 351 CO 0.15 0.32 -0.37 0.47 0.09 0.00 0.00 178.44 179.09 3kbm n ASP 352 N -4.43 0.51 -4.55 -0.43 8.00 -0.73 -4.79 116.55 110.12 3kbm n ASP 352 Ca 0.01 -0.27 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 3kbm n ASP 352 Cb 0.11 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3kbm n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kbm s ASP 353 N -2.89 6.14 0.52 -2.24 -1.08 -0.66 -4.86 116.67 111.59 3kbm s ASP 353 Ca 0.15 -0.50 0.30 0.00 -0.52 0.00 0.00 52.55 51.97 3kbm s ASP 353 Cb 0.18 -2.56 1.36 0.00 -1.46 0.00 0.00 42.92 40.44 3kbm s ASP 353 CO 0.64 -1.84 2.00 0.03 0.52 0.00 0.00 175.17 176.52 3kbm h ARG 354 N 10.26 0.00 0.00 4.34 3.08 -1.86 -1.70 114.38 128.50 3kbm h ARG 354 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3kbm h ARG 354 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3kbm h ARG 354 CO 1.29 0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 179.17 3kbm n SER 355 N -3.37 0.00 -0.31 7.04 3.41 -1.26 -0.23 113.62 118.90 3kbm n SER 355 Ca -0.01 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 3kbm n SER 355 Cb 0.30 -0.49 0.21 0.00 -0.26 0.00 0.00 64.21 63.97 3kbm n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbm n ALA 356 N -1.49 3.36 0.04 7.33 0.00 -0.64 -3.99 120.51 125.13 3kbm n ALA 356 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3kbm n ALA 356 Cb 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3kbm n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbm n PHE 357 N -0.51 -2.65 -0.18 0.00 7.35 -0.91 -4.83 117.46 115.73 3kbm n PHE 357 Ca 0.10 0.29 -0.00 0.00 -0.76 0.00 0.00 57.45 57.08 3kbm n PHE 357 Cb 0.39 1.12 0.09 0.00 0.35 0.00 0.00 39.48 41.42 3kbm n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kbm h GLU 358 N 0.00 0.18 -0.19 -4.13 3.07 -1.73 -2.55 114.58 109.23 3kbm h GLU 358 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3kbm h GLU 358 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3kbm h GLU 358 CO 0.00 0.12 0.00 0.39 -1.40 0.00 0.00 179.01 178.12 3kbm n GLU 359 N -5.19 2.50 -2.50 2.33 1.02 0.68 -5.00 120.64 114.48 3kbm n GLU 359 Ca 0.08 -2.60 -0.42 0.00 -0.02 0.00 0.00 57.16 54.19 3kbm n GLU 359 Cb 0.31 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3kbm n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbm s PHE 360 N -2.51 3.50 -0.78 -0.32 5.36 -0.96 -4.80 117.98 117.45 3kbm s PHE 360 Ca 0.35 1.41 -0.23 0.00 -0.96 0.00 0.00 56.93 57.50 3kbm s PHE 360 Cb 0.28 -3.34 0.07 0.00 -0.34 0.00 0.00 43.02 39.69 3kbm s PHE 360 CO 0.08 -0.93 1.13 0.34 -1.46 0.00 0.00 175.22 174.38 3kbm s ASP 361 N 1.05 6.31 0.22 6.13 -1.08 -1.26 -4.87 116.67 123.18 3kbm s ASP 361 Ca 0.57 -1.16 0.01 0.00 -0.52 0.00 0.00 52.55 51.44 3kbm s ASP 361 Cb -0.27 -2.47 0.20 0.00 -1.46 0.00 0.00 42.92 38.93 3kbm s ASP 361 CO 0.29 -1.46 1.55 -0.37 0.52 0.00 0.00 175.17 175.70 3kbm h VAL 362 N 6.08 1.34 -0.01 1.11 -1.51 -1.96 -2.84 116.25 118.45 3kbm h VAL 362 Ca -0.12 -1.81 -0.00 0.00 -1.23 0.00 0.00 66.70 63.54 3kbm h VAL 362 Cb 1.05 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 3kbm h VAL 362 CO 1.22 0.55 0.00 0.44 -1.23 0.00 0.00 177.57 178.56 3kbm h ASP 363 N 0.32 0.02 -0.23 4.19 3.32 -1.99 0.50 116.42 122.56 3kbm h ASP 363 Ca 0.01 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3kbm h ASP 363 Cb 1.05 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3kbm h ASP 363 CO 0.09 0.19 0.05 0.00 -1.72 0.00 0.00 179.24 177.86 3kbm h ALA 364 N 0.83 0.24 -0.48 3.45 0.00 -1.98 -2.08 119.26 119.23 3kbm h ALA 364 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kbm h ALA 364 Cb 0.18 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3kbm h ALA 364 CO -0.00 -0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.05 3kbm h ALA 365 N 1.16 0.58 -0.62 0.00 0.00 -1.31 -1.91 119.26 117.16 3kbm h ALA 365 Ca 0.10 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3kbm h ALA 365 Cb 0.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3kbm h ALA 365 CO -0.12 -0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.14 3kbm h ALA 366 N 1.32 0.80 0.00 0.00 0.00 -0.71 -2.34 119.26 118.34 3kbm h ALA 366 Ca 0.23 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kbm h ALA 366 Cb 0.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kbm h ALA 366 CO -0.24 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3kbm h ALA 367 N 1.42 1.00 -1.86 0.00 0.00 -0.63 -3.43 119.26 115.76 3kbm h ALA 367 Ca 0.31 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.65 3kbm h ALA 367 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3kbm h ALA 367 CO -0.30 0.00 1.06 1.03 0.00 0.00 0.00 179.25 181.04 3kbm s ARG 368 N -3.49 3.67 0.53 0.00 0.52 -0.88 -4.99 118.95 114.31 3kbm s ARG 368 Ca 0.01 1.13 -0.21 0.00 -0.52 0.00 0.00 55.73 56.14 3kbm s ARG 368 Cb 0.09 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 3kbm s ARG 368 CO 0.36 -1.44 1.28 0.20 0.02 0.00 0.00 175.30 175.72 3kbm s GLY 369 N 3.80 2.83 0.09 -3.53 0.00 -1.26 -4.95 107.32 104.30 3kbm s GLY 369 Ca 0.62 1.16 0.25 0.00 0.00 0.00 0.00 44.72 46.75 3kbm s GLY 369 CO 0.30 1.64 1.41 1.03 0.00 0.00 0.00 173.10 177.48 3kbm n MET 370 N -1.01 0.20 -2.38 2.90 0.00 -1.26 -4.95 117.12 110.61 3kbm n MET 370 Ca 0.10 0.07 -0.20 0.00 0.00 0.00 0.00 57.70 57.67 3kbm n MET 370 Cb 0.47 -1.64 -0.01 0.00 0.00 0.00 0.00 33.22 32.04 3kbm n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kbm n ALA 371 N -1.72 -0.62 0.11 3.04 0.00 -1.26 -4.20 120.51 115.86 3kbm n ALA 371 Ca 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 3kbm n ALA 371 Cb 0.41 -2.16 0.07 0.00 0.00 0.00 0.00 19.45 17.76 3kbm n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kbm h PHE 372 N 0.00 0.00 -0.13 0.00 0.04 -1.96 -3.14 116.94 111.75 3kbm h PHE 372 Ca -0.49 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.07 3kbm h PHE 372 Cb 1.36 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.52 3kbm h PHE 372 CO 0.57 0.73 -0.76 0.93 -0.60 0.00 0.00 178.31 179.18 3kbm h GLU 373 N 0.00 0.68 -0.57 1.51 4.39 -1.99 -0.53 114.58 118.07 3kbm h GLU 373 Ca -0.01 -0.55 -0.04 0.00 0.34 0.00 0.00 59.36 59.10 3kbm h GLU 373 Cb 1.34 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 3kbm h GLU 373 CO 0.09 1.17 0.20 -0.09 -1.16 0.00 0.00 179.01 179.22 3kbm h ARG 374 N 0.46 0.87 -0.65 2.33 2.43 -1.98 -0.71 114.38 117.12 3kbm h ARG 374 Ca -0.04 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3kbm h ARG 374 Cb 1.37 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3kbm h ARG 374 CO 0.15 0.77 0.38 1.25 -1.51 0.00 0.00 179.97 181.00 3kbm h LEU 375 N 0.79 0.57 -0.78 3.80 5.85 -1.47 0.45 115.31 124.51 3kbm h LEU 375 Ca 0.19 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3kbm h LEU 375 Cb 0.25 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3kbm h LEU 375 CO -0.01 0.38 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.49 3kbm h ASP 376 N 0.71 0.70 -0.10 1.25 3.58 -0.89 -0.48 116.42 121.19 3kbm h ASP 376 Ca 0.28 -0.24 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 3kbm h ASP 376 Cb 0.14 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 3kbm h ASP 376 CO -0.16 0.90 -0.28 -0.61 -2.88 0.00 0.00 179.24 176.21 3kbm h GLN 377 N 0.62 0.56 -0.80 0.28 5.75 -0.73 0.16 115.11 120.95 3kbm h GLN 377 Ca 0.09 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 3kbm h GLN 377 Cb 0.68 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.17 3kbm h GLN 377 CO 0.05 0.79 0.42 -0.07 -2.65 0.00 0.00 178.83 177.37 3kbm h LEU 378 N 0.49 1.01 -0.80 -2.39 3.38 -0.50 -0.20 115.31 116.30 3kbm h LEU 378 Ca 0.06 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3kbm h LEU 378 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3kbm h LEU 378 CO 0.06 0.83 -0.32 0.00 0.09 0.00 0.00 178.44 179.09 3kbm h ALA 379 N 1.34 0.97 -0.26 1.53 0.00 0.04 -2.27 119.26 120.60 3kbm h ALA 379 Ca 0.28 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kbm h ALA 379 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kbm h ALA 379 CO -0.04 0.61 0.05 1.98 0.00 0.00 0.00 179.25 181.84 3kbm h MET 380 N 0.46 0.43 -0.79 0.00 1.85 -0.08 -0.94 114.93 115.86 3kbm h MET 380 Ca 0.05 -0.11 0.08 0.00 -0.61 0.00 0.00 59.70 59.11 3kbm h MET 380 Cb 0.79 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.70 3kbm h MET 380 CO 0.06 0.55 0.45 -0.44 -0.40 0.00 0.00 176.91 177.13 3kbm h ASP 381 N 0.24 0.66 -0.33 1.39 3.32 -0.92 -0.20 116.42 120.58 3kbm h ASP 381 Ca 0.08 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3kbm h ASP 381 Cb 0.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3kbm h ASP 381 CO 0.00 0.40 -0.02 0.45 -1.72 0.00 0.00 179.24 178.35 3kbm h HIS 382 N 0.79 0.67 -0.82 4.55 3.86 -1.26 0.40 115.15 123.32 3kbm h HIS 382 Ca 0.37 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.49 3kbm h HIS 382 Cb 0.28 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.53 3kbm h HIS 382 CO -0.06 0.74 0.53 1.25 0.86 0.00 0.00 177.93 181.24 3kbm h LEU 383 N 0.40 0.87 -0.88 2.43 5.85 -0.41 -2.29 115.31 121.28 3kbm h LEU 383 Ca 0.09 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kbm h LEU 383 Cb 0.48 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3kbm h LEU 383 CO 0.02 0.60 0.00 0.18 -0.34 0.00 0.00 178.44 178.90 3kbm n LEU 384 N -4.58 1.33 -3.58 2.25 4.77 -0.16 -4.90 117.00 112.14 3kbm n LEU 384 Ca 0.10 -0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 55.31 3kbm n LEU 384 Cb 0.09 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3kbm n LEU 384 CO 0.34 0.28 0.17 0.61 -1.33 0.00 0.00 177.39 177.45 3kbm n GLY 385 N 1.06 -0.46 1.72 -0.72 0.00 -0.67 -4.93 105.19 101.19 3kbm n GLY 385 Ca 0.16 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 3kbm n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbm n ALA 386 N -4.63 4.75 -2.34 4.61 0.00 0.13 -4.92 120.51 118.10 3kbm n ALA 386 Ca -0.11 -3.68 -0.41 0.00 0.00 0.00 0.00 53.44 49.24 3kbm n ALA 386 Cb 0.60 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3kbm n ALA 386 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kbm n ARG 387 N -0.80 4.60 -0.65 0.00 5.12 -1.23 -4.85 116.66 118.84 3kbm n ARG 387 Ca 0.39 -3.90 0.00 0.00 -1.93 0.00 0.00 57.85 52.41 3kbm n ARG 387 Cb 0.91 -2.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 3kbm n ARG 387 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11