#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktu n GLU 10 N 0.00 0.07 -4.44 -1.46 4.71 -1.26 -4.90 120.64 113.37 3ktu n GLU 10 Ca 0.00 0.07 -0.25 0.00 -0.01 0.00 0.00 57.16 56.97 3ktu n GLU 10 Cb 0.00 -1.59 -0.09 0.00 -1.01 0.00 0.00 31.44 28.75 3ktu n GLU 10 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3ktu s PHE 11 N -3.03 2.46 0.00 -0.32 0.40 -1.26 -5.07 117.98 111.16 3ktu s PHE 11 Ca 0.13 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3ktu s PHE 11 Cb 0.17 -1.33 0.00 0.00 0.51 0.00 0.00 43.02 42.36 3ktu s PHE 11 CO 0.53 0.57 0.00 0.41 0.70 0.00 0.00 175.22 177.44 3ktu n GLY 12 N -0.83 -2.24 3.75 4.36 0.00 -1.26 -4.84 105.19 104.13 3ktu n GLY 12 Ca -0.05 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3ktu n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ktu s HIS 13 N -0.89 3.49 0.64 1.61 3.76 -1.26 -4.74 115.29 117.90 3ktu s HIS 13 Ca 0.00 1.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.39 3ktu s HIS 13 Cb 0.00 -3.36 -0.03 0.00 1.11 0.00 0.00 32.58 30.30 3ktu s HIS 13 CO 0.00 -0.87 1.04 1.03 -0.85 0.00 0.00 174.74 175.09 3ktu s ARG 14 N -1.04 3.42 0.13 1.40 0.52 -1.26 -5.08 118.95 117.04 3ktu s ARG 14 Ca 0.48 0.81 0.04 0.00 -0.52 0.00 0.00 55.73 56.53 3ktu s ARG 14 Cb -0.33 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 3ktu s ARG 14 CO 0.40 -0.72 -0.09 0.95 0.02 0.00 0.00 175.30 175.87 3ktu s THR 15 N -3.14 1.02 0.17 0.02 -4.23 -1.26 -5.00 115.64 103.23 3ktu s THR 15 Ca 0.56 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.93 3ktu s THR 15 Cb -0.12 -1.79 0.07 0.00 1.34 0.00 0.00 72.50 72.01 3ktu s THR 15 CO 0.54 -0.78 1.77 0.25 -0.54 0.00 0.00 174.62 175.87 3ktu h LEU 16 N 2.86 0.74 0.12 4.79 5.85 -1.98 -2.92 115.31 124.77 3ktu h LEU 16 Ca -0.36 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3ktu h LEU 16 Cb 1.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3ktu h LEU 16 CO 0.64 0.64 -0.06 0.00 -0.34 0.00 0.00 178.44 179.32 3ktu h ALA 17 N 1.13 -0.16 0.00 1.25 0.00 -1.98 -3.19 119.26 116.31 3ktu h ALA 17 Ca 0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3ktu h ALA 17 Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ktu h ALA 17 CO -0.03 -0.53 -0.48 0.66 0.00 0.00 0.00 179.25 178.87 3ktu h SER 18 N -0.28 0.00 -1.86 0.00 4.64 -1.97 -3.35 113.55 110.72 3ktu h SER 18 Ca -0.02 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 3ktu h SER 18 Cb 0.23 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.91 3ktu h SER 18 CO 0.03 0.48 -0.93 0.35 -0.87 0.00 0.00 176.83 175.89 3ktu n THR 19 N -3.94 1.53 -0.29 2.95 -2.24 -1.10 -4.30 114.28 106.89 3ktu n THR 19 Ca -0.01 -4.74 -0.05 0.00 -2.27 0.00 0.00 64.05 56.98 3ktu n THR 19 Cb 0.50 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 3ktu n THR 19 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ktu n PRO 20 N -0.08 -0.25 0.00 -0.78 -0.02 -1.21 -1.17 135.00 131.50 3ktu n PRO 20 Ca 0.27 1.08 0.07 0.00 -2.02 0.00 0.00 63.50 62.90 3ktu n PRO 20 Cb 0.59 -1.60 0.34 0.00 -0.02 0.00 0.00 33.50 32.82 3ktu n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ktu n ALA 21 N -3.54 1.75 1.15 3.55 0.00 -1.26 -3.10 120.51 119.06 3ktu n ALA 21 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3ktu n ALA 21 Cb 0.23 -1.23 0.29 0.00 0.00 0.00 0.00 19.45 18.73 3ktu n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ktu n LEU 22 N -1.38 2.39 -4.69 0.00 4.77 -0.32 -4.26 117.00 113.51 3ktu n LEU 22 Ca 0.05 -0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 54.91 3ktu n LEU 22 Cb 0.14 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3ktu n LEU 22 CO 0.12 0.41 -0.33 0.26 -1.33 0.00 0.00 177.39 176.53 3ktu s TRP 23 N -1.95 3.00 0.06 -1.77 0.52 -1.18 -4.24 118.94 113.38 3ktu s TRP 23 Ca 0.33 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.47 3ktu s TRP 23 Cb 0.20 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 3ktu s TRP 23 CO 0.31 0.48 -0.11 0.00 0.02 0.00 0.00 176.95 177.65 3ktu s ALA 24 N -1.33 0.92 0.34 0.98 0.00 -0.46 -4.87 121.76 117.34 3ktu s ALA 24 Ca 0.26 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.41 3ktu s ALA 24 Cb -0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3ktu s ALA 24 CO 0.19 0.09 0.04 -1.54 0.00 0.00 0.00 175.76 174.54 3ktu s SER 25 N -1.67 4.30 -0.08 0.00 1.04 -1.26 -0.61 113.70 115.42 3ktu s SER 25 Ca -0.05 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3ktu s SER 25 Cb -0.10 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.46 3ktu s SER 25 CO 0.01 -0.25 -0.06 -0.63 0.98 0.00 0.00 173.24 173.29 3ktu s ILE 26 N -2.49 0.83 0.03 -1.02 1.01 -0.64 -4.95 121.20 113.97 3ktu s ILE 26 Ca 0.35 -0.21 -0.33 0.00 0.00 0.00 0.00 60.65 60.46 3ktu s ILE 26 Cb -0.01 -0.85 -0.11 0.00 0.01 0.00 0.00 42.46 41.50 3ktu s ILE 26 CO 0.20 0.32 1.84 -2.65 0.00 0.00 0.00 174.94 174.65 3ktu n PRO 27 N 4.58 2.46 -3.15 2.79 -0.02 -1.26 -1.53 135.00 138.87 3ktu n PRO 27 Ca -0.16 0.90 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3ktu n PRO 27 Cb 0.50 -2.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.21 3ktu n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ktu s PRO 29 N 2.94 3.84 0.63 0.00 0.04 -1.24 -3.15 135.00 138.06 3ktu s PRO 29 Ca 0.04 1.34 0.31 0.00 0.04 0.00 0.00 61.00 62.74 3ktu s PRO 29 Cb -0.10 -2.10 1.72 0.00 0.04 0.00 0.00 34.50 34.06 3ktu s PRO 29 CO -0.14 -0.40 2.03 0.00 0.04 0.00 0.00 177.00 178.53 3ktu h ARG 30 N 1.59 0.00 0.00 4.56 3.08 -1.59 0.20 114.38 122.22 3ktu h ARG 30 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3ktu h ARG 30 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3ktu h ARG 30 CO 0.59 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.15 3ktu h SER 31 N 0.00 0.00 0.01 7.04 4.64 -1.91 -2.79 113.55 120.54 3ktu h SER 31 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3ktu h SER 31 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3ktu h SER 31 CO -0.00 0.00 -1.13 -0.62 -0.87 0.00 0.00 176.83 174.21 3ktu n GLU 32 N -2.65 0.09 -3.53 4.77 -0.58 0.71 -3.17 120.64 116.27 3ktu n GLU 32 Ca 0.02 -0.03 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 3ktu n GLU 32 Cb 0.29 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.60 3ktu n GLU 32 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3ktu s LEU 33 N -3.21 -0.55 -0.33 -4.62 2.96 -1.05 -4.71 118.68 107.15 3ktu s LEU 33 Ca 0.06 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3ktu s LEU 33 Cb 0.16 1.72 0.09 0.00 0.50 0.00 0.00 46.19 48.65 3ktu s LEU 33 CO 0.87 -0.12 0.04 -0.13 -1.32 0.00 0.00 176.35 175.69 3ktu s ARG 34 N 1.89 1.74 0.22 1.98 1.81 -0.43 -4.43 118.95 121.74 3ktu s ARG 34 Ca -0.06 -1.75 -0.08 0.00 -1.72 0.00 0.00 55.73 52.12 3ktu s ARG 34 Cb -0.05 -3.21 0.35 0.00 -0.45 0.00 0.00 34.95 31.59 3ktu s ARG 34 CO -0.16 -0.88 1.70 -0.07 -0.68 0.00 0.00 175.30 175.21 3ktu h LEU 35 N 7.73 0.03 -0.87 2.53 3.38 -1.95 0.02 115.31 126.18 3ktu h LEU 35 Ca -0.09 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ktu h LEU 35 Cb 1.03 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ktu h LEU 35 CO 0.54 0.01 0.00 -0.90 0.09 0.00 0.00 178.44 178.18 3ktu n ASP 36 N -5.12 0.54 -0.00 -0.43 5.75 -1.26 -0.76 116.55 115.27 3ktu n ASP 36 Ca 0.11 0.68 0.07 0.00 -0.01 0.00 0.00 54.79 55.64 3ktu n ASP 36 Cb 0.36 -0.78 -0.09 0.00 -1.03 0.00 0.00 41.12 39.59 3ktu n ASP 36 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3ktu n LEU 37 N -2.14 0.56 -0.10 -2.12 4.77 -0.09 -4.56 117.00 113.32 3ktu n LEU 37 Ca 0.01 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.38 3ktu n LEU 37 Cb 0.14 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 3ktu n LEU 37 CO 0.14 0.14 -1.17 0.52 -1.33 0.00 0.00 177.39 175.69 3ktu n VAL 38 N -1.51 1.16 -0.28 4.08 0.31 -0.69 -4.53 118.33 116.87 3ktu n VAL 38 Ca 0.02 -0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 3ktu n VAL 38 Cb 0.27 -1.81 0.11 0.00 -0.91 0.00 0.00 33.84 31.51 3ktu n VAL 38 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ktu h LEU 39 N -0.74 1.05 -3.11 7.52 4.07 -1.19 -3.09 115.31 119.80 3ktu h LEU 39 Ca -0.50 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.34 3ktu h LEU 39 Cb 1.42 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3ktu h LEU 39 CO -0.30 0.89 0.00 -0.81 -1.08 0.00 0.00 178.44 177.14 3ktu n PRO 40 N -4.31 3.42 -0.12 1.13 -0.04 -1.26 -4.61 135.00 129.21 3ktu n PRO 40 Ca 0.08 -2.72 0.03 0.00 -0.04 0.00 0.00 63.50 60.86 3ktu n PRO 40 Cb 0.14 -1.76 0.10 0.00 -0.04 0.00 0.00 33.50 31.94 3ktu n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3ktu n SER 41 N 0.69 1.22 0.00 3.54 7.64 -1.17 -4.90 113.62 120.65 3ktu n SER 41 Ca 0.22 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.09 3ktu n SER 41 Cb 0.80 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 3ktu n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ktu n GLY 42 N 0.81 0.72 0.08 0.23 0.00 -1.26 -4.91 105.19 100.87 3ktu n GLY 42 Ca 0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3ktu n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ktu n GLN 43 N -2.48 0.49 -4.35 1.61 6.02 -1.26 -4.95 117.38 112.46 3ktu n GLN 43 Ca 0.00 0.40 -0.30 0.00 -0.01 0.00 0.00 57.00 57.09 3ktu n GLN 43 Cb 0.00 -1.59 -0.12 0.00 1.02 0.00 0.00 30.24 29.56 3ktu n GLN 43 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ktu s SER 44 N -5.93 3.86 -0.10 1.08 0.15 -1.26 -5.04 113.70 106.47 3ktu s SER 44 Ca -0.22 -0.55 0.13 0.00 0.70 0.00 0.00 55.95 56.02 3ktu s SER 44 Cb 0.04 -0.55 0.33 0.00 -1.71 0.00 0.00 66.02 64.12 3ktu s SER 44 CO 0.33 0.19 1.24 0.49 1.20 0.00 0.00 173.24 176.69 3ktu n PHE 45 N 0.90 0.41 -1.11 3.44 3.01 -1.26 -4.71 117.46 118.14 3ktu n PHE 45 Ca -0.16 -0.78 0.06 0.00 1.01 0.00 0.00 57.45 57.59 3ktu n PHE 45 Cb 0.53 -0.17 0.23 0.00 -0.01 0.00 0.00 39.48 40.06 3ktu n PHE 45 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3ktu n ARG 46 N -0.60 2.42 -4.96 -1.08 5.12 -1.26 -4.79 116.66 111.51 3ktu n ARG 46 Ca 0.14 -2.88 -0.32 0.00 -1.93 0.00 0.00 57.85 52.86 3ktu n ARG 46 Cb 0.62 -1.78 -0.14 0.00 -1.16 0.00 0.00 32.46 29.99 3ktu n ARG 46 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3ktu s TRP 47 N -2.93 2.66 -0.02 -1.55 0.52 -1.26 -4.27 118.94 112.10 3ktu s TRP 47 Ca 0.41 -0.46 0.03 0.00 0.02 0.00 0.00 56.10 56.09 3ktu s TRP 47 Cb 0.35 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.98 3ktu s TRP 47 CO 0.06 -0.05 -0.09 1.03 0.02 0.00 0.00 176.95 177.93 3ktu s ARG 48 N -0.24 0.81 -1.25 4.98 0.52 0.22 -4.85 118.95 119.14 3ktu s ARG 48 Ca 0.00 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 54.77 3ktu s ARG 48 Cb -0.13 -0.77 0.14 0.00 0.52 0.00 0.00 34.95 34.70 3ktu s ARG 48 CO 0.03 0.15 1.56 -1.91 0.02 0.00 0.00 175.30 175.14 3ktu n GLU 49 N 3.08 3.32 0.15 3.54 2.13 -1.26 -0.19 120.64 131.41 3ktu n GLU 49 Ca -0.16 -3.65 0.03 0.00 0.66 0.00 0.00 57.16 54.04 3ktu n GLU 49 Cb 0.56 -3.19 0.39 0.00 0.27 0.00 0.00 31.44 29.47 3ktu n GLU 49 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3ktu h GLN 50 N 7.22 0.15 -5.56 5.31 1.08 -1.86 -3.42 115.11 118.02 3ktu h GLN 50 Ca 0.37 -0.04 -0.47 0.00 -1.45 0.00 0.00 58.65 57.06 3ktu h GLN 50 Cb 0.86 -0.02 -0.23 0.00 -0.05 0.00 0.00 27.48 28.04 3ktu h GLN 50 CO 1.33 0.36 -0.80 -1.12 -0.95 0.00 0.00 178.83 177.65 3ktu s SER 51 N -6.91 1.91 0.09 1.46 0.01 -1.23 -5.05 113.70 103.98 3ktu s SER 51 Ca -0.05 -0.56 -0.36 0.00 1.31 0.00 0.00 55.95 56.29 3ktu s SER 51 Cb 0.15 -0.10 -0.15 0.00 0.21 0.00 0.00 66.02 66.13 3ktu s SER 51 CO 0.73 0.01 1.48 -0.81 0.41 0.00 0.00 173.24 175.06 3ktu n PRO 52 N 1.52 1.57 -0.84 12.44 -0.04 -1.26 -0.48 135.00 147.92 3ktu n PRO 52 Ca -0.19 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3ktu n PRO 52 Cb 0.54 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3ktu n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ktu n ALA 53 N 3.19 0.00 -3.77 0.55 0.00 -1.26 -4.98 120.51 114.24 3ktu n ALA 53 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 3ktu n ALA 53 Cb 0.23 -0.58 -0.15 0.00 0.00 0.00 0.00 19.45 18.95 3ktu n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ktu s HIS 54 N -2.17 2.98 -0.13 0.00 3.76 0.37 -4.40 115.29 115.70 3ktu s HIS 54 Ca 0.00 -1.44 -0.03 0.00 -0.15 0.00 0.00 55.06 53.44 3ktu s HIS 54 Cb 0.00 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 3ktu s HIS 54 CO 0.00 -0.71 -0.01 -1.58 -0.85 0.00 0.00 174.74 171.59 3ktu s TRP 55 N 1.35 3.10 0.08 1.40 0.52 -0.10 -2.47 118.94 122.82 3ktu s TRP 55 Ca 0.03 -0.06 0.09 0.00 0.02 0.00 0.00 56.10 56.18 3ktu s TRP 55 Cb -0.15 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 3ktu s TRP 55 CO -0.06 0.19 -0.24 -1.12 0.02 0.00 0.00 176.95 175.74 3ktu s SER 56 N -0.14 2.90 0.00 2.95 0.01 0.74 0.11 113.70 120.27 3ktu s SER 56 Ca 0.04 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.66 3ktu s SER 56 Cb -0.13 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3ktu s SER 56 CO 0.02 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.45 3ktu n GLY 57 N 1.38 -1.30 3.78 3.44 0.00 -0.94 -0.61 105.19 110.94 3ktu n GLY 57 Ca -0.18 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3ktu n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktu s VAL 58 N -2.51 5.33 -0.10 1.61 1.01 -1.26 -1.06 120.40 123.43 3ktu s VAL 58 Ca 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 3ktu s VAL 58 Cb 0.00 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.87 3ktu s VAL 58 CO 0.00 0.48 0.19 -0.22 0.00 0.00 0.00 175.10 175.54 3ktu s LEU 59 N -0.09 -0.04 -1.23 3.92 0.20 0.99 -4.88 118.68 117.55 3ktu s LEU 59 Ca 0.15 0.41 -0.04 0.00 0.69 0.00 0.00 54.13 55.34 3ktu s LEU 59 Cb -0.13 0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 46.03 3ktu s LEU 59 CO 0.04 -0.23 0.78 0.00 -0.29 0.00 0.00 176.35 176.65 3ktu n ALA 60 N 5.18 -2.17 -1.74 5.97 0.00 -1.26 -2.55 120.51 123.94 3ktu n ALA 60 Ca -0.08 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 3ktu n ALA 60 Cb 0.50 -2.93 -0.07 0.00 0.00 0.00 0.00 19.45 16.96 3ktu n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ktu n ASP 61 N -3.03 -5.25 -4.03 0.00 8.00 -1.26 -4.97 116.55 106.00 3ktu n ASP 61 Ca -0.23 0.39 -0.08 0.00 0.71 0.00 0.00 54.79 55.58 3ktu n ASP 61 Cb 0.65 -4.61 -0.09 0.00 -0.02 0.00 0.00 41.12 37.06 3ktu n ASP 61 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ktu s GLN 62 N -3.94 0.78 0.05 -1.24 -0.21 -1.06 -5.06 119.66 108.98 3ktu s GLN 62 Ca 0.00 -1.19 -0.18 0.00 0.02 0.00 0.00 55.36 54.00 3ktu s GLN 62 Cb 0.00 0.26 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 3ktu s GLN 62 CO 0.00 -0.21 0.54 0.08 -2.12 0.00 0.00 175.29 173.58 3ktu s VAL 63 N -3.93 4.83 0.13 1.09 1.01 -1.25 -0.01 120.40 122.26 3ktu s VAL 63 Ca 0.11 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3ktu s VAL 63 Cb 0.07 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3ktu s VAL 63 CO -0.07 0.54 0.00 0.26 0.00 0.00 0.00 175.10 175.83 3ktu s TRP 64 N -0.97 0.93 -0.04 5.22 0.52 -0.22 -1.69 118.94 122.69 3ktu s TRP 64 Ca 0.28 -1.08 0.02 0.00 0.02 0.00 0.00 56.10 55.34 3ktu s TRP 64 Cb -0.19 -0.54 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 3ktu s TRP 64 CO 0.17 -0.33 -0.08 0.99 0.02 0.00 0.00 176.95 177.73 3ktu s THR 65 N -3.82 0.73 0.02 2.01 2.01 -0.96 -2.21 115.64 113.43 3ktu s THR 65 Ca 0.19 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.95 3ktu s THR 65 Cb 0.07 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 3ktu s THR 65 CO -0.01 0.25 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.26 3ktu s LEU 66 N 0.46 2.11 0.04 4.42 1.43 0.12 -2.18 118.68 125.08 3ktu s LEU 66 Ca -0.07 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 3ktu s LEU 66 Cb -0.11 -0.72 0.04 0.00 0.03 0.00 0.00 46.19 45.43 3ktu s LEU 66 CO 0.01 0.11 0.46 0.28 0.23 0.00 0.00 176.35 177.44 3ktu s THR 67 N -0.64 0.04 0.09 5.49 -1.32 -0.48 -0.92 115.64 117.90 3ktu s THR 67 Ca 0.04 -0.35 0.05 0.00 -1.21 0.00 0.00 61.69 60.22 3ktu s THR 67 Cb -0.07 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 3ktu s THR 67 CO 0.01 -0.19 -0.13 0.00 -2.21 0.00 0.00 174.62 172.09 3ktu s GLN 68 N -2.40 0.89 0.53 7.08 -2.07 -1.26 0.51 119.66 122.93 3ktu s GLN 68 Ca -0.06 -1.09 0.05 0.00 -1.82 0.00 0.00 55.36 52.44 3ktu s GLN 68 Cb -0.01 -0.77 0.02 0.00 -1.09 0.00 0.00 33.01 31.17 3ktu s GLN 68 CO -0.02 0.15 0.34 0.95 -1.32 0.00 0.00 175.29 175.40 3ktu s THR 69 N -1.84 1.66 0.47 3.63 -4.23 -0.29 -4.98 115.64 110.06 3ktu s THR 69 Ca 0.03 -1.56 0.18 0.00 -1.18 0.00 0.00 61.69 59.16 3ktu s THR 69 Cb -0.07 -2.22 0.36 0.00 1.34 0.00 0.00 72.50 71.91 3ktu s THR 69 CO 0.02 0.00 1.98 -0.08 -0.54 0.00 0.00 174.62 176.00 3ktu h GLU 70 N 0.87 0.24 -0.00 3.99 4.57 -2.00 -3.16 114.58 119.09 3ktu h GLU 70 Ca -0.38 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3ktu h GLU 70 Cb 1.30 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3ktu h GLU 70 CO 0.60 0.16 -0.07 0.39 -1.18 0.00 0.00 179.01 178.91 3ktu n GLU 71 N -4.44 5.94 -4.30 1.92 -0.58 -1.26 -1.90 120.64 116.02 3ktu n GLU 71 Ca 0.10 -0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.60 3ktu n GLU 71 Cb 0.48 -0.61 -0.11 0.00 -0.57 0.00 0.00 31.44 30.63 3ktu n GLU 71 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ktu s GLN 72 N -1.08 1.19 -0.35 3.49 -1.52 -1.19 -1.14 119.66 119.06 3ktu s GLN 72 Ca 0.01 -1.37 -0.02 0.00 -1.95 0.00 0.00 55.36 52.03 3ktu s GLN 72 Cb 0.01 -1.14 0.08 0.00 -0.22 0.00 0.00 33.01 31.74 3ktu s GLN 72 CO 0.06 0.22 0.10 -1.17 -0.25 0.00 0.00 175.29 174.25 3ktu s LEU 73 N -2.68 4.56 0.01 2.90 2.96 -0.58 -1.13 118.68 124.71 3ktu s LEU 73 Ca 0.14 -1.65 -0.23 0.00 -0.22 0.00 0.00 54.13 52.17 3ktu s LEU 73 Cb -0.05 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3ktu s LEU 73 CO 0.05 -0.39 0.71 -1.00 -1.32 0.00 0.00 176.35 174.40 3ktu s HIS 74 N 1.19 3.69 0.06 5.38 3.76 0.18 -1.61 115.29 127.94 3ktu s HIS 74 Ca 0.02 1.35 0.05 0.00 -0.15 0.00 0.00 55.06 56.33 3ktu s HIS 74 Cb -0.21 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 3ktu s HIS 74 CO -0.03 0.25 -0.14 0.00 -0.85 0.00 0.00 174.74 173.97 3ktu s THR 76 N -1.17 0.07 0.08 0.00 -1.32 -0.92 -1.35 115.64 111.02 3ktu s THR 76 Ca -0.01 -0.57 0.08 0.00 -1.21 0.00 0.00 61.69 59.98 3ktu s THR 76 Cb -0.09 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 3ktu s THR 76 CO 0.02 -0.31 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.21 3ktu s VAL 77 N -1.01 1.80 -0.28 5.08 1.01 -1.26 -2.26 120.40 123.47 3ktu s VAL 77 Ca -0.11 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.46 3ktu s VAL 77 Cb -0.06 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.79 3ktu s VAL 77 CO 0.00 0.08 -0.06 -0.31 0.00 0.00 0.00 175.10 174.81 3ktu s TYR 78 N -1.00 3.40 0.00 5.22 1.51 -0.68 -4.82 117.35 120.98 3ktu s TYR 78 Ca 0.08 -2.51 0.00 0.00 -1.01 0.00 0.00 57.07 53.63 3ktu s TYR 78 Cb -0.10 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 3ktu s TYR 78 CO 0.03 -0.90 0.00 0.54 -1.11 0.00 0.00 175.55 174.12 3ktu n ARG 79 N 4.38 0.00 -0.44 -0.62 1.74 -1.26 -3.84 116.66 116.62 3ktu n ARG 79 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3ktu n ARG 79 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 3ktu n ARG 79 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ktu n SER 83 N 0.00 -2.69 -4.72 0.55 3.41 -1.26 -4.88 113.62 104.02 3ktu n SER 83 Ca 0.00 0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 58.63 3ktu n SER 83 Cb 0.00 -0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 63.29 3ktu n SER 83 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3ktu n GLN 84 N -1.43 2.33 -2.04 4.33 7.27 -1.26 -4.92 117.38 121.66 3ktu n GLN 84 Ca 0.00 0.82 -0.41 0.00 0.07 0.00 0.00 57.00 57.47 3ktu n GLN 84 Cb 0.07 -2.46 -0.02 0.00 2.41 0.00 0.00 30.24 30.23 3ktu n GLN 84 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ktu s ALA 85 N -0.93 3.61 0.26 1.69 0.00 -1.26 -5.01 121.76 120.12 3ktu s ALA 85 Ca 0.56 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.65 3ktu s ALA 85 Cb -0.54 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.04 3ktu s ALA 85 CO 0.61 -0.71 0.59 -1.54 0.00 0.00 0.00 175.76 174.71 3ktu s SER 86 N 0.32 -0.18 0.79 0.00 1.04 -1.26 -5.07 113.70 109.34 3ktu s SER 86 Ca 0.58 -0.75 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 3ktu s SER 86 Cb -0.41 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.44 3ktu s SER 86 CO 0.43 -1.23 1.20 -0.13 0.98 0.00 0.00 173.24 174.49 3ktu s ARG 87 N -3.96 1.74 0.51 4.02 0.52 -1.26 -4.69 118.95 115.83 3ktu s ARG 87 Ca 0.16 1.75 -0.21 0.00 -0.52 0.00 0.00 55.73 56.91 3ktu s ARG 87 Cb -0.03 -1.79 -0.06 0.00 0.52 0.00 0.00 34.95 33.59 3ktu s ARG 87 CO 0.07 -2.14 1.19 -2.14 0.02 0.00 0.00 175.30 172.30 3ktu s PRO 88 N -4.11 3.44 0.55 3.54 0.02 -1.26 -4.97 135.00 132.21 3ktu s PRO 88 Ca 0.73 1.81 -0.04 0.00 0.02 0.00 0.00 61.00 63.52 3ktu s PRO 88 Cb -0.29 -2.21 0.01 0.00 0.02 0.00 0.00 34.50 32.04 3ktu s PRO 88 CO 0.50 -0.82 0.83 0.95 -0.33 0.00 0.00 177.00 178.13 3ktu s THR 89 N -1.57 3.64 0.36 0.99 -4.23 -1.26 -4.88 115.64 108.69 3ktu s THR 89 Ca 0.69 -0.18 0.09 0.00 -1.18 0.00 0.00 61.69 61.10 3ktu s THR 89 Cb -0.29 -3.42 0.32 0.00 1.34 0.00 0.00 72.50 70.45 3ktu s THR 89 CO 0.34 -0.39 1.90 -0.65 -0.54 0.00 0.00 174.62 175.29 3ktu h PRO 90 N -0.02 0.67 -0.13 3.99 0.11 -1.98 0.08 132.00 134.72 3ktu h PRO 90 Ca -0.45 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 3ktu h PRO 90 Cb 1.26 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3ktu h PRO 90 CO 0.59 0.44 -0.65 -0.44 -0.21 0.00 0.00 178.00 177.74 3ktu h ASP 91 N 0.69 0.80 -0.58 -2.05 3.45 -1.99 -2.09 116.42 114.65 3ktu h ASP 91 Ca 0.40 -0.63 -0.05 0.00 0.43 0.00 0.00 57.03 57.18 3ktu h ASP 91 Cb 0.59 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3ktu h ASP 91 CO -0.16 1.31 0.17 -0.33 -1.57 0.00 0.00 179.24 178.65 3ktu h GLU 92 N 0.36 0.91 -0.39 3.56 5.08 -1.85 -2.17 114.58 120.07 3ktu h GLU 92 Ca -0.04 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3ktu h GLU 92 Cb 1.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3ktu h GLU 92 CO 0.13 0.83 0.26 1.25 -1.00 0.00 0.00 179.01 180.48 3ktu h LEU 93 N 0.82 0.37 -1.37 1.33 5.85 -0.95 0.86 115.31 122.22 3ktu h LEU 93 Ca 0.19 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3ktu h LEU 93 Cb 0.30 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3ktu h LEU 93 CO -0.00 0.26 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.72 3ktu h GLU 94 N 0.43 0.00 -0.30 1.25 4.39 -0.73 -1.52 114.58 118.11 3ktu h GLU 94 Ca 0.16 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 3ktu h GLU 94 Cb 0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3ktu h GLU 94 CO -0.04 0.30 -0.05 0.00 -1.16 0.00 0.00 179.01 178.07 3ktu h ALA 95 N 1.70 1.35 -0.12 3.43 0.00 -0.58 -0.51 119.26 124.52 3ktu h ALA 95 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ktu h ALA 95 Cb 0.61 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ktu h ALA 95 CO 0.04 0.44 -0.09 0.28 0.00 0.00 0.00 179.25 179.92 3ktu h VAL 96 N 0.46 1.34 -0.98 0.00 2.07 -1.19 -1.65 116.25 116.30 3ktu h VAL 96 Ca 0.09 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.50 3ktu h VAL 96 Cb 0.38 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 3ktu h VAL 96 CO 0.02 0.35 0.63 0.03 0.02 0.00 0.00 177.57 178.61 3ktu h ARG 97 N -0.09 1.04 -0.34 1.57 3.08 -0.94 -1.79 114.38 116.92 3ktu h ARG 97 Ca 0.02 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3ktu h ARG 97 Cb 0.59 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3ktu h ARG 97 CO 0.02 0.69 -0.38 -0.22 -1.07 0.00 0.00 179.97 179.01 3ktu h LYS 98 N 1.07 0.85 -0.70 0.04 3.64 -1.04 -1.16 116.57 119.29 3ktu h LYS 98 Ca 0.44 -0.47 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3ktu h LYS 98 Cb 0.29 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3ktu h LYS 98 CO -0.19 1.11 0.46 -0.92 -2.27 0.00 0.00 179.45 177.64 3ktu h TYR 99 N 0.64 0.88 -0.45 1.91 3.20 -0.49 -1.54 116.97 121.12 3ktu h TYR 99 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3ktu h TYR 99 Cb 0.98 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3ktu h TYR 99 CO 0.07 0.56 0.00 1.19 -1.64 0.00 0.00 178.16 178.34 3ktu n PHE 100 N -4.43 0.59 -4.18 -3.82 3.01 -0.76 -0.12 117.46 107.75 3ktu n PHE 100 Ca 0.07 -0.29 -0.29 0.00 1.01 0.00 0.00 57.45 57.95 3ktu n PHE 100 Cb 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 3ktu n PHE 100 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3ktu n GLN 101 N 1.21 -1.95 0.14 -1.08 6.02 -0.53 -4.80 117.38 116.38 3ktu n GLN 101 Ca 0.19 0.23 0.10 0.00 -0.01 0.00 0.00 57.00 57.51 3ktu n GLN 101 Cb 0.52 -4.07 0.52 0.00 1.02 0.00 0.00 30.24 28.23 3ktu n GLN 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ktu n LEU 102 N -4.48 0.50 0.20 1.08 4.77 -0.63 -1.45 117.00 116.99 3ktu n LEU 102 Ca -0.29 0.73 0.14 0.00 -0.03 0.00 0.00 56.01 56.56 3ktu n LEU 102 Cb 0.67 -0.78 0.41 0.00 -2.33 0.00 0.00 43.42 41.40 3ktu n LEU 102 CO 0.82 -0.88 0.89 0.44 -1.33 0.00 0.00 177.39 177.33 3ktu h ASP 103 N 0.00 0.00 -3.40 -1.43 3.32 -1.87 -3.41 116.42 109.62 3ktu h ASP 103 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3ktu h ASP 103 Cb 0.02 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.49 3ktu h ASP 103 CO 0.00 0.00 0.66 -0.69 -1.72 0.00 0.00 179.24 177.49 3ktu s VAL 104 N -3.33 4.60 -0.42 -1.35 1.01 -0.53 -4.99 120.40 115.38 3ktu s VAL 104 Ca 0.06 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 3ktu s VAL 104 Cb 0.08 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 32.16 3ktu s VAL 104 CO 0.58 -0.45 1.17 -0.89 0.00 0.00 0.00 175.10 175.51 3ktu s THR 105 N 3.43 4.22 0.31 3.92 2.01 -1.26 -4.92 115.64 123.36 3ktu s THR 105 Ca 0.40 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.73 3ktu s THR 105 Cb -0.13 -4.49 0.12 0.00 0.01 0.00 0.00 72.50 68.01 3ktu s THR 105 CO 0.16 -0.83 1.80 0.25 -0.69 0.00 0.00 174.62 175.31 3ktu h LEU 106 N 11.09 0.50 -1.38 4.42 5.85 -1.91 -2.67 115.31 131.22 3ktu h LEU 106 Ca -0.23 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ktu h LEU 106 Cb 1.07 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3ktu h LEU 106 CO 1.10 0.65 0.32 0.00 -0.34 0.00 0.00 178.44 180.17 3ktu h ALA 107 N 1.40 1.53 -0.19 1.25 0.00 -1.91 -0.25 119.26 121.10 3ktu h ALA 107 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ktu h ALA 107 Cb 0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ktu h ALA 107 CO 0.03 0.40 -0.14 1.96 0.00 0.00 0.00 179.25 181.51 3ktu h GLN 108 N 0.76 0.42 0.06 0.00 1.08 -1.90 -2.30 115.11 113.23 3ktu h GLN 108 Ca 0.20 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3ktu h GLN 108 Cb -0.02 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3ktu h GLN 108 CO -0.04 0.75 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.50 3ktu h LEU 109 N 0.09 -0.07 -0.88 1.46 3.38 -1.24 -2.10 115.31 115.97 3ktu h LEU 109 Ca 0.04 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ktu h LEU 109 Cb 0.65 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3ktu h LEU 109 CO 0.04 0.05 0.53 1.88 0.09 0.00 0.00 178.44 181.03 3ktu h TYR 110 N -0.18 0.98 0.19 1.13 -1.99 -1.11 0.05 116.97 116.04 3ktu h TYR 110 Ca -0.01 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 3ktu h TYR 110 Cb 0.15 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 3ktu h TYR 110 CO -0.04 0.45 -0.12 1.25 -0.00 0.00 0.00 178.16 179.70 3ktu h HIS 111 N 0.93 -0.31 -0.15 4.88 2.76 -1.25 0.74 115.15 122.75 3ktu h HIS 111 Ca 0.40 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 3ktu h HIS 111 Cb 0.28 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3ktu h HIS 111 CO -0.04 -0.19 0.09 1.25 -1.30 0.00 0.00 177.93 177.74 3ktu h HIS 112 N -0.30 0.19 -0.48 5.26 -0.00 -0.81 -0.68 115.15 118.33 3ktu h HIS 112 Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3ktu h HIS 112 Cb 0.26 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 3ktu h HIS 112 CO -0.09 0.17 0.28 -1.49 -0.00 0.00 0.00 177.93 176.81 3ktu h TRP 113 N 0.16 0.63 -0.18 5.26 6.55 -0.92 -1.64 115.95 125.81 3ktu h TRP 113 Ca 0.05 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 3ktu h TRP 113 Cb 0.04 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 3ktu h TRP 113 CO -0.05 0.44 0.06 0.78 -1.05 0.00 0.00 178.44 178.62 3ktu h GLY 114 N 0.63 0.26 1.16 1.49 0.00 -0.67 -0.30 103.07 105.65 3ktu h GLY 114 Ca 0.17 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 3ktu h GLY 114 CO -0.03 0.11 -0.31 1.76 0.00 0.00 0.00 176.54 178.07 3ktu h SER 115 N 0.25 0.98 0.35 0.19 0.02 -0.17 -3.15 113.55 112.02 3ktu h SER 115 Ca 0.06 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3ktu h SER 115 Cb 0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3ktu h SER 115 CO -0.01 1.20 -0.47 1.33 -1.14 0.00 0.00 176.83 177.74 3ktu n VAL 116 N -4.08 0.00 -3.49 2.27 0.24 -0.96 -4.77 118.33 107.54 3ktu n VAL 116 Ca -0.01 -0.05 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 3ktu n VAL 116 Cb 0.50 0.41 -0.13 0.00 -1.47 0.00 0.00 33.84 33.15 3ktu n VAL 116 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ktu s ASP 117 N -2.83 2.39 0.45 -1.34 3.68 -0.15 -5.01 116.67 113.86 3ktu s ASP 117 Ca 0.15 -0.84 0.13 0.00 2.13 0.00 0.00 52.55 54.11 3ktu s ASP 117 Cb 0.18 0.08 1.03 0.00 -1.45 0.00 0.00 42.92 42.76 3ktu s ASP 117 CO 0.66 -0.39 2.04 -1.28 0.13 0.00 0.00 175.17 176.32 3ktu h SER 118 N 8.34 0.32 -0.34 -0.34 0.87 -1.85 -1.89 113.55 118.66 3ktu h SER 118 Ca -0.17 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 3ktu h SER 118 Cb 1.07 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3ktu h SER 118 CO 0.36 0.21 -0.24 -0.74 -0.53 0.00 0.00 176.83 175.90 3ktu h HIS 119 N 0.37 0.90 -0.73 2.24 -0.00 -1.94 -2.53 115.15 113.46 3ktu h HIS 119 Ca 0.19 -0.24 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3ktu h HIS 119 Cb 0.28 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.44 3ktu h HIS 119 CO -0.00 0.99 0.46 0.35 -0.00 0.00 0.00 177.93 179.73 3ktu h PHE 120 N 0.55 0.85 -0.66 5.26 3.57 -1.69 -2.12 116.94 122.69 3ktu h PHE 120 Ca 0.07 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.68 3ktu h PHE 120 Cb 0.80 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 3ktu h PHE 120 CO 0.06 0.47 0.31 0.37 -2.23 0.00 0.00 178.31 177.30 3ktu h GLN 121 N 0.88 0.53 -0.43 1.11 4.15 -1.15 0.29 115.11 120.49 3ktu h GLN 121 Ca 0.30 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.57 3ktu h GLN 121 Cb 0.05 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3ktu h GLN 121 CO -0.12 0.35 -0.20 0.93 -1.93 0.00 0.00 178.83 177.86 3ktu h GLU 122 N 0.55 0.85 0.08 1.69 5.08 -0.99 -3.17 114.58 118.67 3ktu h GLU 122 Ca 0.32 -0.34 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 3ktu h GLU 122 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3ktu h GLU 122 CO -0.26 0.98 -1.14 0.28 -1.00 0.00 0.00 179.01 177.87 3ktu h VAL 123 N 0.74 1.56 0.00 3.13 2.07 -0.96 -3.31 116.25 119.49 3ktu h VAL 123 Ca 0.10 -3.11 -0.03 0.00 0.82 0.00 0.00 66.70 64.48 3ktu h VAL 123 Cb 0.73 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3ktu h VAL 123 CO 0.06 0.90 -0.15 0.00 0.02 0.00 0.00 177.57 178.40 3ktu h ALA 124 N 0.72 1.68 -0.69 1.67 0.00 -0.46 -3.02 119.26 119.16 3ktu h ALA 124 Ca -0.09 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ktu h ALA 124 Cb 1.87 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 3ktu h ALA 124 CO 0.18 0.19 0.03 -0.56 0.00 0.00 0.00 179.25 179.09 3ktu h GLN 125 N 0.00 0.13 0.00 0.00 3.07 -1.63 -2.37 115.11 114.31 3ktu h GLN 125 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3ktu h GLN 125 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.81 3ktu h GLN 125 CO 0.02 0.09 -0.78 0.36 0.09 0.00 0.00 178.83 178.61 3ktu n LYS 126 N -5.29 0.19 -3.24 0.06 0.00 -1.15 -4.56 118.16 104.17 3ktu n LYS 126 Ca 0.12 0.02 -0.26 0.00 -0.00 0.00 0.00 58.31 58.18 3ktu n LYS 126 Cb 0.42 -1.58 -0.06 0.00 -0.00 0.00 0.00 35.03 33.80 3ktu n LYS 126 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3ktu n PHE 127 N -1.84 3.36 -2.23 5.58 3.01 -0.89 -5.07 117.46 119.38 3ktu n PHE 127 Ca 0.03 -4.05 -0.29 0.00 1.01 0.00 0.00 57.45 54.15 3ktu n PHE 127 Cb 0.40 -0.52 0.02 0.00 -0.01 0.00 0.00 39.48 39.37 3ktu n PHE 127 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3ktu s GLN 128 N -2.71 3.32 -0.07 -1.08 -0.21 -1.24 -4.31 119.66 113.37 3ktu s GLN 128 Ca 0.43 0.37 0.00 0.00 0.02 0.00 0.00 55.36 56.18 3ktu s GLN 128 Cb 0.20 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3ktu s GLN 128 CO -0.06 -0.55 0.00 0.41 -2.12 0.00 0.00 175.29 172.97 3ktu n GLY 129 N -2.60 0.46 3.56 3.09 0.00 -1.19 -4.55 105.19 103.97 3ktu n GLY 129 Ca 0.04 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 3ktu n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktu s VAL 130 N -2.01 5.13 0.30 1.61 1.01 -1.26 -1.32 120.40 123.87 3ktu s VAL 130 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3ktu s VAL 130 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3ktu s VAL 130 CO 0.00 -0.05 0.21 0.00 0.00 0.00 0.00 175.10 175.26 3ktu s ARG 131 N 2.12 1.61 -0.13 2.72 1.70 -1.26 -4.75 118.95 120.95 3ktu s ARG 131 Ca 0.14 -1.92 -0.07 0.00 -0.47 0.00 0.00 55.73 53.41 3ktu s ARG 131 Cb -0.16 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 3ktu s ARG 131 CO 0.12 -0.54 0.12 -0.51 -1.08 0.00 0.00 175.30 173.40 3ktu s LEU 132 N -3.34 4.25 0.40 -1.89 2.01 -1.26 -4.93 118.68 113.92 3ktu s LEU 132 Ca 0.38 0.38 -0.23 0.00 0.01 0.00 0.00 54.13 54.68 3ktu s LEU 132 Cb 0.04 -2.04 -0.10 0.00 0.01 0.00 0.00 46.19 44.09 3ktu s LEU 132 CO 0.21 0.36 0.97 -0.76 1.01 0.00 0.00 176.35 178.14 3ktu s LEU 133 N -0.71 4.06 -0.71 1.79 1.02 -1.26 -4.54 118.68 118.33 3ktu s LEU 133 Ca 0.13 1.80 -0.15 0.00 0.02 0.00 0.00 54.13 55.93 3ktu s LEU 133 Cb -0.12 -4.36 0.17 0.00 0.02 0.00 0.00 46.19 41.90 3ktu s LEU 133 CO 0.03 -0.35 0.69 -0.60 0.02 0.00 0.00 176.35 176.13 3ktu s ARG 134 N -2.81 3.33 0.38 1.70 3.52 0.82 -4.73 118.95 121.17 3ktu s ARG 134 Ca 0.59 -2.04 -0.03 0.00 -0.13 0.00 0.00 55.73 54.12 3ktu s ARG 134 Cb -0.14 -4.39 -0.04 0.00 -1.56 0.00 0.00 34.95 28.82 3ktu s ARG 134 CO 0.18 -1.36 0.63 -0.65 -0.81 0.00 0.00 175.30 173.29 3ktu s GLN 135 N 1.07 3.54 0.22 5.12 -0.21 -0.32 -4.72 119.66 124.36 3ktu s GLN 135 Ca 0.13 -0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.12 3ktu s GLN 135 Cb -0.18 -2.57 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 3ktu s GLN 135 CO -0.03 0.05 1.22 0.34 -2.12 0.00 0.00 175.29 174.75 3ktu s ASP 136 N -3.86 7.04 0.22 5.90 2.15 -1.26 -4.43 116.67 122.42 3ktu s ASP 136 Ca 0.43 2.33 -0.09 0.00 0.43 0.00 0.00 52.55 55.65 3ktu s ASP 136 Cb -0.10 -2.62 0.21 0.00 -0.30 0.00 0.00 42.92 40.11 3ktu s ASP 136 CO 0.37 -0.39 1.86 -0.65 -0.17 0.00 0.00 175.17 176.19 3ktu h PRO 137 N 4.82 0.91 0.39 4.34 0.11 -1.94 -1.42 132.00 139.21 3ktu h PRO 137 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3ktu h PRO 137 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ktu h PRO 137 CO 0.73 0.60 -0.19 0.82 -0.21 0.00 0.00 178.00 179.75 3ktu h ILE 138 N 0.93 0.62 -0.90 4.15 1.08 -1.98 0.17 117.51 121.59 3ktu h ILE 138 Ca 0.30 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3ktu h ILE 138 Cb 0.01 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 3ktu h ILE 138 CO -0.11 0.04 0.58 -0.08 -0.69 0.00 0.00 178.15 177.89 3ktu h GLU 139 N -0.65 1.07 -0.52 2.37 4.81 -1.90 -1.91 114.58 117.84 3ktu h GLU 139 Ca -0.05 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 3ktu h GLU 139 Cb 0.47 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3ktu h GLU 139 CO 0.09 0.71 0.04 0.00 -0.73 0.00 0.00 179.01 179.11 3ktu h LEU 141 N 0.78 0.13 -0.11 0.00 5.85 -0.23 -1.90 115.31 119.82 3ktu h LEU 141 Ca 0.15 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 3ktu h LEU 141 Cb 0.47 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ktu h LEU 141 CO 0.02 0.19 -0.97 -0.26 -0.34 0.00 0.00 178.44 177.08 3ktu h PHE 142 N 0.06 0.11 -0.35 1.25 -1.00 -1.33 -1.97 116.94 113.72 3ktu h PHE 142 Ca 0.04 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 3ktu h PHE 142 Cb 0.09 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3ktu h PHE 142 CO -0.04 0.99 0.15 0.77 -1.61 0.00 0.00 178.31 178.56 3ktu h SER 143 N 0.02 0.48 1.47 2.17 0.02 -0.80 -2.66 113.55 114.26 3ktu h SER 143 Ca -0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3ktu h SER 143 Cb 1.68 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3ktu h SER 143 CO 0.13 0.51 0.00 -0.26 -1.14 0.00 0.00 176.83 176.07 3ktu h PHE 144 N 0.42 0.00 -0.14 3.45 -1.00 -1.36 -2.02 116.94 116.29 3ktu h PHE 144 Ca 0.12 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 3ktu h PHE 144 Cb 0.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 3ktu h PHE 144 CO -0.01 0.00 -0.20 0.82 -1.61 0.00 0.00 178.31 177.31 3ktu h ILE 145 N 0.00 1.21 0.00 -0.55 2.04 -1.02 -1.86 117.51 117.33 3ktu h ILE 145 Ca 0.00 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3ktu h ILE 145 Cb 0.74 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3ktu h ILE 145 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.45 3ktu h SER 147 N 0.00 0.00 -1.21 0.00 4.64 -1.06 -3.45 113.55 112.47 3ktu h SER 147 Ca 0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 3ktu h SER 147 Cb 0.70 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.86 3ktu h SER 147 CO 0.00 0.00 0.05 -0.24 -0.87 0.00 0.00 176.83 175.77 3ktu n SER 148 N -3.03 0.20 -3.81 4.97 2.88 -1.24 -1.76 113.62 111.83 3ktu n SER 148 Ca 0.01 1.15 -0.25 0.00 -1.33 0.00 0.00 58.87 58.45 3ktu n SER 148 Cb 0.35 -1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 62.77 3ktu n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ktu s ASN 150 N -3.96 0.22 0.26 0.00 3.84 -0.72 -5.16 114.94 109.41 3ktu s ASN 150 Ca 0.12 -1.03 0.08 0.00 0.21 0.00 0.00 52.86 52.24 3ktu s ASN 150 Cb -0.07 0.34 -0.04 0.00 -0.55 0.00 0.00 41.25 40.93 3ktu s ASN 150 CO 0.66 -0.78 0.08 0.54 -2.79 0.00 0.00 177.10 174.81 3ktu s ASN 151 N -3.00 4.95 0.23 -4.21 2.20 -1.26 -4.99 114.94 108.86 3ktu s ASN 151 Ca 0.19 -0.48 -0.06 0.00 -0.94 0.00 0.00 52.86 51.57 3ktu s ASN 151 Cb 0.06 -1.08 0.32 0.00 -2.00 0.00 0.00 41.25 38.55 3ktu s ASN 151 CO -0.01 -0.01 1.83 0.40 -2.94 0.00 0.00 177.10 176.37 3ktu h ILE 152 N 1.75 0.99 -0.63 0.54 2.04 -1.98 -0.57 117.51 119.64 3ktu h ILE 152 Ca -0.46 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3ktu h ILE 152 Cb 1.24 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3ktu h ILE 152 CO 0.60 0.15 0.22 0.00 0.00 0.00 0.00 178.15 179.12 3ktu h ALA 153 N 1.40 0.83 -0.14 1.87 0.00 -1.97 -1.16 119.26 120.08 3ktu h ALA 153 Ca 0.36 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3ktu h ALA 153 Cb 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ktu h ALA 153 CO -0.19 0.48 -0.22 -0.09 0.00 0.00 0.00 179.25 179.23 3ktu h ARG 154 N 0.90 0.39 -0.75 0.00 2.43 -1.91 -2.76 114.38 112.69 3ktu h ARG 154 Ca 0.21 -0.24 0.14 0.00 -0.81 0.00 0.00 59.98 59.27 3ktu h ARG 154 Cb 0.26 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.75 3ktu h ARG 154 CO -0.01 0.82 0.30 0.82 -1.51 0.00 0.00 179.97 180.40 3ktu h ILE 155 N -0.00 0.68 -0.50 1.20 2.04 -1.02 -0.09 117.51 119.80 3ktu h ILE 155 Ca 0.01 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.77 3ktu h ILE 155 Cb 0.79 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3ktu h ILE 155 CO 0.05 0.08 0.21 0.74 0.00 0.00 0.00 178.15 179.24 3ktu h THR 156 N 0.46 0.88 0.17 -0.27 2.02 -1.07 -0.88 112.91 114.21 3ktu h THR 156 Ca 0.40 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 3ktu h THR 156 Cb 0.59 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ktu h THR 156 CO -0.39 0.08 -0.08 1.23 0.37 0.00 0.00 175.52 176.73 3ktu h GLY 157 N 0.42 -0.23 0.16 2.16 0.00 -0.78 -1.90 103.07 102.90 3ktu h GLY 157 Ca 0.23 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.73 3ktu h GLY 157 CO -0.21 -0.09 -0.12 -0.33 0.00 0.00 0.00 176.54 175.80 3ktu h MET 158 N -0.30 -0.03 -0.77 4.80 2.07 -0.87 -0.65 114.93 119.18 3ktu h MET 158 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 3ktu h MET 158 Cb 0.24 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.93 3ktu h MET 158 CO 0.04 -0.02 0.48 0.28 1.07 0.00 0.00 176.91 178.76 3ktu h VAL 159 N -0.03 1.21 -0.05 -2.22 2.07 -1.06 -0.20 116.25 115.96 3ktu h VAL 159 Ca 0.19 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3ktu h VAL 159 Cb 0.32 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3ktu h VAL 159 CO -0.42 0.21 -0.03 -0.33 0.02 0.00 0.00 177.57 177.02 3ktu h GLU 160 N 1.05 0.11 -0.82 1.57 5.08 -0.50 -1.68 114.58 119.40 3ktu h GLU 160 Ca 0.28 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 3ktu h GLU 160 Cb -0.07 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 3ktu h GLU 160 CO -0.06 0.51 0.50 0.00 -1.00 0.00 0.00 179.01 178.97 3ktu h ARG 161 N -0.28 0.90 -0.46 2.33 3.08 -0.94 0.56 114.38 119.57 3ktu h ARG 161 Ca 0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3ktu h ARG 161 Cb 0.48 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3ktu h ARG 161 CO 0.01 0.60 0.21 1.25 -1.07 0.00 0.00 179.97 180.96 3ktu h LEU 162 N 0.93 0.62 -0.51 3.04 6.46 -0.98 -1.80 115.31 123.06 3ktu h LEU 162 Ca 0.35 -0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.82 3ktu h LEU 162 Cb 0.14 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 3ktu h LEU 162 CO -0.16 0.59 -0.36 0.00 -0.62 0.00 0.00 178.44 177.89 3ktu h GLN 164 N 0.69 0.74 0.00 0.00 4.15 -0.74 0.55 115.11 120.51 3ktu h GLN 164 Ca 0.06 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.25 3ktu h GLN 164 Cb 0.92 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 3ktu h GLN 164 CO 0.08 0.49 -0.91 0.00 -1.93 0.00 0.00 178.83 176.56 3ktu h ALA 165 N 1.23 0.46 0.00 3.38 0.00 -1.27 -3.39 119.26 119.67 3ktu h ALA 165 Ca 0.22 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3ktu h ALA 165 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ktu h ALA 165 CO -0.06 1.14 0.00 1.19 0.00 0.00 0.00 179.25 181.52 3ktu n PHE 166 N -3.40 0.00 -3.73 0.00 3.01 -0.74 -5.07 117.46 107.53 3ktu n PHE 166 Ca -0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 3ktu n PHE 166 Cb 0.88 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.32 3ktu n PHE 166 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3ktu s GLY 167 N -0.22 1.91 0.42 1.37 0.00 0.19 -4.53 107.32 106.46 3ktu s GLY 167 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 44.72 43.67 3ktu s GLY 167 CO 0.00 -0.75 1.37 2.56 0.00 0.00 0.00 173.10 176.28 3ktu s PRO 168 N -3.10 3.85 -0.01 2.90 0.04 -1.25 -4.61 135.00 132.82 3ktu s PRO 168 Ca 0.38 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 3ktu s PRO 168 Cb -0.11 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3ktu s PRO 168 CO 0.28 -0.64 1.11 0.50 0.04 0.00 0.00 177.00 178.29 3ktu s ARG 169 N -2.33 4.45 0.00 4.56 3.52 -1.26 -0.03 118.95 127.86 3ktu s ARG 169 Ca 0.58 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 3ktu s ARG 169 Cb -0.41 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 3ktu s ARG 169 CO 0.53 -0.26 0.00 1.28 -0.81 0.00 0.00 175.30 176.04 3ktu n LEU 170 N 4.40 0.00 -4.95 -0.88 4.32 0.61 -4.90 117.00 115.60 3ktu n LEU 170 Ca 0.09 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.82 3ktu n LEU 170 Cb 0.48 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.39 3ktu n LEU 170 CO 0.54 0.00 0.64 0.27 -1.22 0.00 0.00 177.39 177.62 3ktu s ILE 171 N 3.96 2.19 -0.05 -0.08 -5.25 -1.26 -4.74 121.20 115.97 3ktu s ILE 171 Ca 0.00 -0.34 0.05 0.00 -0.99 0.00 0.00 60.65 59.37 3ktu s ILE 171 Cb 0.00 -2.85 -0.01 0.00 2.95 0.00 0.00 42.46 42.55 3ktu s ILE 171 CO 0.00 0.00 -0.21 -1.58 -1.79 0.00 0.00 174.94 171.36 3ktu s GLN 172 N -5.33 2.15 -0.08 0.37 0.74 -1.26 -1.57 119.66 114.67 3ktu s GLN 172 Ca 0.65 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 55.32 3ktu s GLN 172 Cb -0.07 -1.85 0.02 0.00 1.10 0.00 0.00 33.01 32.21 3ktu s GLN 172 CO 0.46 0.32 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.90 3ktu s LEU 173 N -0.08 1.54 0.00 3.68 1.43 0.06 -4.93 118.68 120.38 3ktu s LEU 173 Ca -0.03 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3ktu s LEU 173 Cb -0.12 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 3ktu s LEU 173 CO 0.03 -0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.07 3ktu n ASP 174 N 4.12 0.00 -1.93 2.29 8.00 -1.26 -0.64 116.55 127.13 3ktu n ASP 174 Ca -0.20 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.35 3ktu n ASP 174 Cb 0.51 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.01 3ktu n ASP 174 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3ktu n ASP 175 N 3.42 5.65 -4.42 -2.24 5.68 -1.26 -4.90 116.55 118.48 3ktu n ASP 175 Ca 0.00 -2.98 -0.36 0.00 -0.50 0.00 0.00 54.79 50.95 3ktu n ASP 175 Cb 0.00 -0.70 -0.13 0.00 -1.14 0.00 0.00 41.12 39.15 3ktu n ASP 175 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ktu s VAL 176 N -2.81 4.01 -0.32 2.12 1.01 0.18 -5.06 120.40 119.53 3ktu s VAL 176 Ca 0.55 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 3ktu s VAL 176 Cb 0.42 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 3ktu s VAL 176 CO 0.16 0.39 0.18 -0.89 0.00 0.00 0.00 175.10 174.93 3ktu s THR 177 N 1.37 4.72 0.25 3.92 2.01 -1.26 -0.76 115.64 125.89 3ktu s THR 177 Ca 0.05 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.34 3ktu s THR 177 Cb -0.15 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 3ktu s THR 177 CO 0.02 0.01 0.88 -0.31 -0.69 0.00 0.00 174.62 174.53 3ktu s TYR 178 N 1.62 3.84 0.05 4.92 1.51 -0.61 -4.96 117.35 123.72 3ktu s TYR 178 Ca 0.05 1.76 0.07 0.00 -1.01 0.00 0.00 57.07 57.94 3ktu s TYR 178 Cb -0.17 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 3ktu s TYR 178 CO 0.07 0.37 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.67 3ktu s HIS 179 N -1.36 1.80 0.78 2.71 3.76 -1.26 -0.28 115.29 121.44 3ktu s HIS 179 Ca 0.43 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.85 3ktu s HIS 179 Cb -0.22 -1.06 0.06 0.00 1.11 0.00 0.00 32.58 32.47 3ktu s HIS 179 CO 0.27 0.10 1.10 0.20 -0.85 0.00 0.00 174.74 175.56 3ktu s GLY 180 N -1.24 1.62 0.32 -2.22 0.00 0.96 -4.92 107.32 101.84 3ktu s GLY 180 Ca 0.07 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.24 3ktu s GLY 180 CO 0.02 0.15 1.13 -0.12 0.00 0.00 0.00 173.10 174.29 3ktu s PHE 181 N -3.22 3.38 0.51 1.90 5.36 -1.26 -3.81 117.98 120.84 3ktu s PHE 181 Ca 0.60 1.63 -0.23 0.00 -0.96 0.00 0.00 56.93 57.98 3ktu s PHE 181 Cb -0.14 -3.34 -0.06 0.00 -0.34 0.00 0.00 43.02 39.14 3ktu s PHE 181 CO 0.53 -0.87 1.29 -2.30 -1.46 0.00 0.00 175.22 172.41 3ktu n PRO 182 N 0.80 1.69 -1.95 10.12 -0.02 -1.26 -4.66 135.00 139.71 3ktu n PRO 182 Ca 0.01 0.61 -0.28 0.00 -2.02 0.00 0.00 63.50 61.82 3ktu n PRO 182 Cb 0.45 -2.47 0.09 0.00 -0.02 0.00 0.00 33.50 31.55 3ktu n PRO 182 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ktu s SER 183 N -0.82 4.53 0.14 2.55 1.04 -1.26 -4.90 113.70 114.98 3ktu s SER 183 Ca 0.69 0.71 -0.15 0.00 0.48 0.00 0.00 55.95 57.67 3ktu s SER 183 Cb -0.44 -1.22 0.01 0.00 0.10 0.00 0.00 66.02 64.46 3ktu s SER 183 CO 0.52 -1.87 1.72 0.25 0.98 0.00 0.00 173.24 174.84 3ktu h LEU 184 N -0.99 0.56 -0.91 2.42 5.85 -1.96 -2.19 115.31 118.10 3ktu h LEU 184 Ca -0.46 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.17 3ktu h LEU 184 Cb 1.33 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3ktu h LEU 184 CO 0.65 0.54 0.59 1.56 -0.34 0.00 0.00 178.44 181.44 3ktu h GLN 185 N 0.55 1.11 -0.16 1.25 7.50 -1.93 -0.20 115.11 123.22 3ktu h GLN 185 Ca 0.15 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.19 3ktu h GLN 185 Cb 0.13 -0.25 -0.00 0.00 0.05 0.00 0.00 27.48 27.41 3ktu h GLN 185 CO -0.02 0.73 -0.05 0.00 -1.50 0.00 0.00 178.83 178.00 3ktu h ALA 186 N 1.38 0.22 0.00 3.87 0.00 -1.87 -2.75 119.26 120.11 3ktu h ALA 186 Ca 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ktu h ALA 186 Cb 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ktu h ALA 186 CO -0.13 -0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 179.04 3ktu h LEU 187 N 0.01 0.00 -0.31 0.00 3.38 -1.09 -2.32 115.31 114.98 3ktu h LEU 187 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ktu h LEU 187 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ktu h LEU 187 CO 0.02 0.01 -0.31 0.00 0.09 0.00 0.00 178.44 178.24 3ktu n ALA 188 N -2.09 3.18 -0.55 1.53 0.00 -0.11 -4.38 120.51 118.08 3ktu n ALA 188 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 3ktu n ALA 188 Cb 0.27 -1.15 0.22 0.00 0.00 0.00 0.00 19.45 18.79 3ktu n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ktu n GLY 189 N 1.39 -1.47 3.76 0.00 0.00 -0.87 -4.83 105.19 103.16 3ktu n GLY 189 Ca 0.10 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3ktu n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ktu s PRO 190 N -4.44 4.36 -0.89 1.61 0.04 -1.26 -3.24 135.00 131.18 3ktu s PRO 190 Ca 0.68 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.89 3ktu s PRO 190 Cb -0.24 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3ktu s PRO 190 CO 0.63 -0.22 0.00 0.39 0.04 0.00 0.00 177.00 177.84 3ktu n GLU 191 N 1.44 -1.23 -0.16 4.56 1.02 -1.26 -4.90 120.64 120.12 3ktu n GLU 191 Ca 0.02 0.73 -0.09 0.00 -0.02 0.00 0.00 57.16 57.81 3ktu n GLU 191 Cb 0.42 -4.85 0.00 0.00 -0.02 0.00 0.00 31.44 26.99 3ktu n GLU 191 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ktu h VAL 192 N 0.00 1.21 -0.11 2.62 2.07 -1.89 -2.24 116.25 117.91 3ktu h VAL 192 Ca -0.17 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3ktu h VAL 192 Cb 0.87 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3ktu h VAL 192 CO 0.25 0.24 -0.16 -0.08 0.02 0.00 0.00 177.57 177.84 3ktu h GLU 193 N 0.59 -0.21 -0.99 1.57 4.81 -1.86 0.24 114.58 118.73 3ktu h GLU 193 Ca 0.15 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3ktu h GLU 193 Cb 0.21 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3ktu h GLU 193 CO -0.01 -0.14 0.65 0.00 -0.73 0.00 0.00 179.01 178.78 3ktu h ALA 194 N 0.82 1.36 -0.67 2.92 0.00 -1.91 0.51 119.26 122.28 3ktu h ALA 194 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ktu h ALA 194 Cb 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ktu h ALA 194 CO -0.24 0.53 0.10 1.25 0.00 0.00 0.00 179.25 180.90 3ktu h HIS 195 N 1.24 1.19 -0.17 0.00 -0.00 -0.67 -2.34 115.15 114.40 3ktu h HIS 195 Ca 0.40 -0.17 -0.09 0.00 -0.00 0.00 0.00 60.37 60.51 3ktu h HIS 195 Cb 0.02 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 3ktu h HIS 195 CO -0.00 1.00 -0.28 -0.07 -0.00 0.00 0.00 177.93 178.58 3ktu h LEU 196 N 1.04 0.33 -0.79 0.26 3.38 0.44 -2.68 115.31 117.29 3ktu h LEU 196 Ca 0.20 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3ktu h LEU 196 Cb 0.45 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ktu h LEU 196 CO 0.01 0.61 -0.18 0.03 0.09 0.00 0.00 178.44 179.00 3ktu h ARG 197 N 0.29 0.72 0.00 1.13 3.08 -0.56 -1.28 114.38 117.77 3ktu h ARG 197 Ca 0.04 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ktu h ARG 197 Cb 0.65 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3ktu h ARG 197 CO 0.05 0.85 0.00 0.87 -1.07 0.00 0.00 179.97 180.67 3ktu h LYS 198 N 0.64 0.00 -0.06 0.04 1.57 -1.13 -0.38 116.57 117.24 3ktu h LYS 198 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ktu h LYS 198 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3ktu h LYS 198 CO 0.05 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 3ktu n LEU 199 N -2.84 1.92 0.00 2.94 4.77 -0.54 -4.95 117.00 118.29 3ktu n LEU 199 Ca 0.00 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3ktu n LEU 199 Cb 0.25 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3ktu n LEU 199 CO 0.24 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3ktu n GLY 200 N 1.22 0.54 0.08 -0.72 0.00 -0.15 -4.89 105.19 101.26 3ktu n GLY 200 Ca 0.18 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.47 3ktu n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktu n LEU 201 N 0.00 0.60 0.00 0.99 4.32 -0.87 -5.01 117.00 117.03 3ktu n LEU 201 Ca 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 3ktu n LEU 201 Cb 0.16 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 3ktu n LEU 201 CO 0.00 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 176.65 3ktu n GLY 202 N 1.36 0.66 0.33 -0.72 0.00 -1.26 -2.81 105.19 102.75 3ktu n GLY 202 Ca 0.06 -0.77 0.22 0.00 0.00 0.00 0.00 46.02 45.53 3ktu n GLY 202 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ktu h TYR 203 N 0.00 0.00 0.00 1.61 -0.00 -1.99 -1.24 116.97 115.34 3ktu h TYR 203 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 3ktu h TYR 203 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 3ktu h TYR 203 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.09 3ktu h ARG 204 N 0.00 0.00 -0.67 0.10 3.08 -1.89 -1.91 114.38 113.10 3ktu h ARG 204 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3ktu h ARG 204 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3ktu h ARG 204 CO 0.00 0.07 0.40 0.00 -1.07 0.00 0.00 179.97 179.37 3ktu h ALA 205 N 1.93 0.89 -0.64 0.04 0.00 -1.35 -1.52 119.26 118.61 3ktu h ALA 205 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ktu h ALA 205 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ktu h ALA 205 CO 0.01 0.12 0.39 -0.09 0.00 0.00 0.00 179.25 179.69 3ktu h ARG 206 N 0.76 0.75 -0.20 0.00 9.65 -1.52 -2.44 114.38 121.38 3ktu h ARG 206 Ca 0.28 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.01 3ktu h ARG 206 Cb 0.09 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 3ktu h ARG 206 CO -0.14 0.50 -0.34 1.88 2.80 0.00 0.00 179.97 184.67 3ktu h TYR 207 N 0.78 0.47 0.25 2.20 0.05 -1.40 0.15 116.97 119.47 3ktu h TYR 207 Ca 0.25 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3ktu h TYR 207 Cb 0.01 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3ktu h TYR 207 CO -0.05 0.70 -0.12 0.28 -1.05 0.00 0.00 178.16 177.92 3ktu h VAL 208 N 0.35 0.80 0.04 -2.88 2.07 -1.00 0.14 116.25 115.78 3ktu h VAL 208 Ca 0.04 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3ktu h VAL 208 Cb 0.76 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3ktu h VAL 208 CO 0.06 0.09 -0.16 -1.28 0.02 0.00 0.00 177.57 176.29 3ktu h SER 209 N -0.54 -0.46 -0.75 0.57 0.87 -1.36 -0.58 113.55 111.29 3ktu h SER 209 Ca -0.03 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3ktu h SER 209 Cb 0.40 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 3ktu h SER 209 CO 0.06 -0.23 0.49 0.00 -0.53 0.00 0.00 176.83 176.62 3ktu h ALA 210 N 0.61 0.96 -0.14 6.23 0.00 -0.89 -1.79 119.26 124.23 3ktu h ALA 210 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3ktu h ALA 210 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ktu h ALA 210 CO -0.13 0.35 -0.58 0.77 0.00 0.00 0.00 179.25 179.66 3ktu h SER 211 N 1.00 0.52 -0.18 0.00 0.02 -0.56 0.21 113.55 114.56 3ktu h SER 211 Ca 0.28 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3ktu h SER 211 Cb -0.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3ktu h SER 211 CO -0.07 0.99 0.10 0.00 -1.14 0.00 0.00 176.83 176.71 3ktu h ALA 212 N 1.02 0.22 -0.57 3.77 0.00 -0.75 -1.41 119.26 121.54 3ktu h ALA 212 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3ktu h ALA 212 Cb 1.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ktu h ALA 212 CO 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 3ktu h ARG 213 N 0.22 1.02 -0.60 0.00 3.08 -1.23 -2.76 114.38 114.10 3ktu h ARG 213 Ca 0.07 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.79 3ktu h ARG 213 Cb -0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3ktu h ARG 213 CO -0.03 1.02 0.39 0.00 -1.07 0.00 0.00 179.97 180.28 3ktu h ALA 214 N 1.01 0.77 -0.34 0.04 0.00 -0.68 0.36 119.26 120.42 3ktu h ALA 214 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ktu h ALA 214 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ktu h ALA 214 CO 0.04 0.17 0.08 0.82 0.00 0.00 0.00 179.25 180.36 3ktu h ILE 215 N 0.79 1.22 0.07 0.00 2.04 -1.17 -1.23 117.51 119.24 3ktu h ILE 215 Ca 0.23 -0.75 -0.25 0.00 1.00 0.00 0.00 64.86 65.09 3ktu h ILE 215 Cb -0.06 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3ktu h ILE 215 CO -0.06 0.25 -1.09 -0.07 0.00 0.00 0.00 178.15 177.18 3ktu h LEU 216 N 0.40 0.44 -2.22 1.44 3.38 -1.26 0.25 115.31 117.74 3ktu h LEU 216 Ca 0.11 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3ktu h LEU 216 Cb 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ktu h LEU 216 CO 0.00 1.27 0.00 -0.62 0.09 0.00 0.00 178.44 179.18 3ktu n GLU 217 N -3.62 2.17 0.00 1.13 1.02 0.13 -4.33 120.64 117.13 3ktu n GLU 217 Ca -0.07 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 3ktu n GLU 217 Cb 0.93 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 3ktu n GLU 217 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ktu n GLU 218 N 1.16 0.00 0.00 3.49 1.02 -0.54 -4.94 120.64 120.83 3ktu n GLU 218 Ca 0.15 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 3ktu n GLU 218 Cb 0.51 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 3ktu n GLU 218 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3ktu n GLN 219 N -0.70 1.38 0.00 3.49 1.13 -0.75 -4.98 117.38 116.95 3ktu n GLN 219 Ca 0.00 -1.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.01 3ktu n GLN 219 Cb 0.00 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 28.91 3ktu n GLN 219 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ktu n GLY 220 N 1.36 1.07 6.02 1.08 0.00 -1.12 -4.70 105.19 108.90 3ktu n GLY 220 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3ktu n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktu n GLY 221 N -1.83 -1.89 0.28 -0.02 0.00 0.87 -3.93 105.19 98.67 3ktu n GLY 221 Ca 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.74 3ktu n GLY 221 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ktu h LEU 222 N 0.00 -0.09 -1.44 0.99 5.85 -1.96 0.61 115.31 119.27 3ktu h LEU 222 Ca 0.00 0.17 0.18 0.00 0.84 0.00 0.00 57.88 59.08 3ktu h LEU 222 Cb 0.05 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3ktu h LEU 222 CO 0.00 -0.10 0.58 0.00 -0.34 0.00 0.00 178.44 178.58 3ktu h ALA 223 N 1.68 2.09 -0.61 1.25 0.00 -1.98 0.22 119.26 121.90 3ktu h ALA 223 Ca 0.45 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 3ktu h ALA 223 Cb 0.81 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3ktu h ALA 223 CO -0.59 -0.36 0.16 2.35 0.00 0.00 0.00 179.25 180.81 3ktu h TRP 224 N 0.49 0.98 0.16 0.00 7.01 -0.99 -1.55 115.95 122.04 3ktu h TRP 224 Ca 0.46 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.36 3ktu h TRP 224 Cb 1.03 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 3ktu h TRP 224 CO -0.00 0.81 -0.08 1.25 -2.79 0.00 0.00 178.44 177.63 3ktu h LEU 225 N 0.91 -0.18 -2.14 0.65 6.46 -0.62 -3.29 115.31 117.09 3ktu h LEU 225 Ca 0.20 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.63 3ktu h LEU 225 Cb 0.32 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3ktu h LEU 225 CO -0.00 0.37 0.12 1.56 -0.62 0.00 0.00 178.44 179.86 3ktu h GLN 226 N -0.83 0.00 0.00 1.25 4.20 -1.08 -1.51 115.11 117.14 3ktu h GLN 226 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ktu h GLN 226 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3ktu h GLN 226 CO 0.04 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 3ktu n GLN 227 N -4.21 0.13 0.26 1.46 -0.00 -0.59 -2.90 117.38 111.54 3ktu n GLN 227 Ca 0.00 0.25 0.12 0.00 -0.00 0.00 0.00 57.00 57.38 3ktu n GLN 227 Cb 0.24 -1.70 0.68 0.00 -0.00 0.00 0.00 30.24 29.46 3ktu n GLN 227 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3ktu h LEU 228 N 0.00 0.00 -2.06 2.61 4.07 -1.38 -2.39 115.31 116.16 3ktu h LEU 228 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 3ktu h LEU 228 Cb 0.46 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3ktu h LEU 228 CO 0.00 0.14 0.13 0.03 -1.08 0.00 0.00 178.44 177.66 3ktu h ARG 229 N 0.00 0.00 0.00 1.13 3.08 -1.72 -0.87 114.38 116.00 3ktu h ARG 229 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ktu h ARG 229 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3ktu h ARG 229 CO 0.02 0.00 -0.69 0.39 -1.07 0.00 0.00 179.97 178.61 3ktu n GLU 230 N -4.37 0.08 -2.67 0.04 4.71 -0.90 -4.86 120.64 112.66 3ktu n GLU 230 Ca 0.01 0.01 -0.30 0.00 -0.01 0.00 0.00 57.16 56.87 3ktu n GLU 230 Cb 0.26 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.14 3ktu n GLU 230 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3ktu s SER 231 N -3.27 6.42 0.76 1.62 0.01 -0.33 -5.06 113.70 113.85 3ktu s SER 231 Ca 0.09 1.12 -0.12 0.00 1.31 0.00 0.00 55.95 58.35 3ktu s SER 231 Cb 0.16 -2.32 0.05 0.00 0.21 0.00 0.00 66.02 64.12 3ktu s SER 231 CO 0.75 -0.51 1.12 -0.94 0.41 0.00 0.00 173.24 174.08 3ktu s SER 232 N -3.53 4.35 0.22 2.44 1.04 -1.26 -4.68 113.70 112.28 3ktu s SER 232 Ca 0.51 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.88 3ktu s SER 232 Cb -0.10 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.81 3ktu s SER 232 CO 0.37 -2.14 1.74 0.22 0.98 0.00 0.00 173.24 174.41 3ktu h TYR 233 N -0.81 0.43 -0.13 5.02 3.20 -1.97 0.36 116.97 123.08 3ktu h TYR 233 Ca -0.45 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.49 3ktu h TYR 233 Cb 1.25 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3ktu h TYR 233 CO 0.54 0.08 -0.07 0.93 -1.64 0.00 0.00 178.16 178.00 3ktu h GLU 234 N 0.42 -0.07 -0.03 1.82 3.07 -1.99 0.11 114.58 117.91 3ktu h GLU 234 Ca 0.35 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 3ktu h GLU 234 Cb 0.47 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3ktu h GLU 234 CO -0.35 -0.04 -0.00 0.93 -1.40 0.00 0.00 179.01 178.14 3ktu h GLU 235 N -0.07 0.06 -0.48 2.33 4.39 -1.73 -2.62 114.58 116.45 3ktu h GLU 235 Ca 0.07 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.81 3ktu h GLU 235 Cb 0.18 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 3ktu h GLU 235 CO -0.17 0.38 0.20 0.00 -1.16 0.00 0.00 179.01 178.26 3ktu h ALA 236 N 0.68 0.60 -0.63 3.43 0.00 -0.16 -2.21 119.26 120.96 3ktu h ALA 236 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ktu h ALA 236 Cb 0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3ktu h ALA 236 CO 0.00 -0.18 0.19 1.25 0.00 0.00 0.00 179.25 180.51 3ktu h HIS 237 N 0.39 0.99 -0.21 0.00 -0.00 -0.80 -2.72 115.15 112.81 3ktu h HIS 237 Ca 0.22 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3ktu h HIS 237 Cb 0.20 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3ktu h HIS 237 CO -0.14 0.80 0.04 -0.22 -0.00 0.00 0.00 177.93 178.41 3ktu h LYS 238 N 0.93 0.34 -0.39 5.26 1.63 -1.06 -3.02 116.57 120.27 3ktu h LYS 238 Ca 0.21 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3ktu h LYS 238 Cb 0.28 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3ktu h LYS 238 CO -0.01 0.48 0.24 0.00 -3.45 0.00 0.00 179.45 176.71 3ktu h ALA 239 N 0.84 0.49 -0.80 5.00 0.00 -1.33 -2.90 119.26 120.55 3ktu h ALA 239 Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3ktu h ALA 239 Cb 0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3ktu h ALA 239 CO 0.00 -0.09 0.52 -0.07 0.00 0.00 0.00 179.25 179.61 3ktu h LEU 240 N 0.48 0.71 0.00 0.00 3.38 -1.46 -0.96 115.31 117.46 3ktu h LEU 240 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ktu h LEU 240 Cb -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ktu h LEU 240 CO -0.06 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3ktu h ILE 242 N 0.00 1.38 -3.91 0.00 2.04 -1.27 -3.46 117.51 112.30 3ktu h ILE 242 Ca 0.00 -2.20 -0.53 0.00 1.00 0.00 0.00 64.86 63.13 3ktu h ILE 242 Cb 0.06 2.18 0.08 0.00 -0.74 0.00 0.00 36.82 38.40 3ktu h ILE 242 CO 0.00 0.66 0.68 -0.76 0.00 0.00 0.00 178.15 178.74 3ktu s LEU 243 N -7.93 4.38 0.06 1.44 1.43 -0.93 -4.96 118.68 112.17 3ktu s LEU 243 Ca -0.06 2.81 -0.31 0.00 -1.03 0.00 0.00 54.13 55.55 3ktu s LEU 243 Cb 0.10 -3.67 -0.08 0.00 0.03 0.00 0.00 46.19 42.57 3ktu s LEU 243 CO 0.85 -0.67 1.70 -2.84 0.23 0.00 0.00 176.35 175.62 3ktu s PRO 244 N -1.92 4.18 0.00 1.29 0.02 -1.26 -1.98 135.00 135.33 3ktu s PRO 244 Ca 0.51 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3ktu s PRO 244 Cb -0.42 -3.67 0.00 0.00 0.02 0.00 0.00 34.50 30.43 3ktu s PRO 244 CO 0.56 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3ktu n GLY 245 N 4.08 0.77 3.31 0.52 0.00 -1.26 -4.44 105.19 108.17 3ktu n GLY 245 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3ktu n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktu s VAL 246 N -2.47 4.19 0.00 1.61 1.01 -0.84 -4.85 120.40 119.05 3ktu s VAL 246 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3ktu s VAL 246 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3ktu s VAL 246 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.44 3ktu n GLY 247 N 4.91 2.42 0.33 4.51 0.00 -1.26 -4.49 105.19 111.61 3ktu n GLY 247 Ca -0.12 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.79 3ktu n GLY 247 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ktu h THR 248 N 0.03 1.23 0.12 2.61 2.02 -1.97 -2.29 112.91 114.67 3ktu h THR 248 Ca 0.00 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3ktu h THR 248 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3ktu h THR 248 CO 0.00 0.23 -0.06 0.50 0.37 0.00 0.00 175.52 176.56 3ktu h LYS 249 N 1.14 -0.16 -0.66 6.66 3.64 -1.95 -2.33 116.57 122.92 3ktu h LYS 249 Ca 0.30 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 3ktu h LYS 249 Cb -0.08 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 3ktu h LYS 249 CO -0.06 0.22 0.33 0.28 -2.27 0.00 0.00 179.45 177.96 3ktu h VAL 250 N -0.58 0.90 -0.81 2.00 2.07 -1.92 -0.86 116.25 117.06 3ktu h VAL 250 Ca -0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3ktu h VAL 250 Cb 0.46 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3ktu h VAL 250 CO 0.03 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.25 3ktu h ALA 251 N 1.37 1.03 -0.26 1.67 0.00 -1.43 -1.55 119.26 120.08 3ktu h ALA 251 Ca 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ktu h ALA 251 Cb 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ktu h ALA 251 CO -0.22 0.46 0.11 -0.44 0.00 0.00 0.00 179.25 179.15 3ktu h ASP 252 N 1.10 0.36 -0.75 0.00 3.32 -0.72 0.88 116.42 120.61 3ktu h ASP 252 Ca 0.29 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.30 3ktu h ASP 252 Cb -0.10 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.28 3ktu h ASP 252 CO -0.06 0.42 0.37 0.00 -1.72 0.00 0.00 179.24 178.24 3ktu h ILE 254 N 0.59 1.28 -0.50 0.00 2.04 -0.93 0.78 117.51 120.78 3ktu h ILE 254 Ca 0.38 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3ktu h ILE 254 Cb 0.45 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3ktu h ILE 254 CO -0.30 0.42 0.25 0.00 0.00 0.00 0.00 178.15 178.52 3ktu h LEU 256 N 0.66 -0.25 -0.07 0.00 5.85 -0.67 -1.57 115.31 119.26 3ktu h LEU 256 Ca 0.17 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ktu h LEU 256 Cb 0.09 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3ktu h LEU 256 CO -0.02 0.15 -0.34 0.23 -0.34 0.00 0.00 178.44 178.12 3ktu n MET 257 N -5.05 0.14 0.00 1.25 2.81 0.26 -4.37 117.12 112.17 3ktu n MET 257 Ca -0.09 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 3ktu n MET 257 Cb 0.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3ktu n MET 257 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ktu n ALA 258 N -1.37 0.00 -0.73 3.04 0.00 0.24 -1.18 120.51 120.51 3ktu n ALA 258 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.58 3ktu n ALA 258 Cb 0.33 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.89 3ktu n ALA 258 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ktu n LEU 259 N 0.00 2.36 -3.69 0.00 4.77 -0.89 -4.54 117.00 115.02 3ktu n LEU 259 Ca 0.00 -2.74 -0.25 0.00 -0.03 0.00 0.00 56.01 52.99 3ktu n LEU 259 Cb 0.00 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.85 3ktu n LEU 259 CO 0.00 0.65 0.19 0.47 -1.33 0.00 0.00 177.39 177.37 3ktu n ASP 260 N -1.05 -5.58 -4.10 -1.43 8.00 -1.16 -4.52 116.55 106.70 3ktu n ASP 260 Ca 0.12 -0.62 -0.36 0.00 0.71 0.00 0.00 54.79 54.63 3ktu n ASP 260 Cb 0.54 -4.67 -0.08 0.00 -0.02 0.00 0.00 41.12 36.88 3ktu n ASP 260 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ktu s LYS 261 N -6.35 2.96 0.58 -1.24 -0.14 -0.61 -4.94 119.74 109.99 3ktu s LYS 261 Ca 0.57 -2.95 0.34 0.00 -1.36 0.00 0.00 55.97 52.56 3ktu s LYS 261 Cb -0.26 -3.86 1.78 0.00 -1.68 0.00 0.00 37.83 33.81 3ktu s LYS 261 CO 0.76 -1.23 2.18 -1.00 -0.76 0.00 0.00 175.35 175.30 3ktu h PRO 262 N 6.45 0.00 0.00 -1.68 0.13 -1.84 -2.40 132.00 132.66 3ktu h PRO 262 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ktu h PRO 262 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ktu h PRO 262 CO 0.78 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.60 3ktu n GLN 263 N -3.44 0.33 -2.17 0.86 0.00 -0.32 -0.69 117.38 111.95 3ktu n GLN 263 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.56 3ktu n GLN 263 Cb 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.88 3ktu n GLN 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ktu s ALA 264 N -2.67 3.59 -0.30 2.61 0.00 -0.90 -4.29 121.76 119.80 3ktu s ALA 264 Ca 0.25 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3ktu s ALA 264 Cb 0.20 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.84 3ktu s ALA 264 CO 0.48 -0.72 0.01 0.08 0.00 0.00 0.00 175.76 175.60 3ktu s VAL 265 N 1.55 1.90 -0.08 0.00 1.01 -1.26 -3.41 120.40 120.11 3ktu s VAL 265 Ca 0.65 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 3ktu s VAL 265 Cb -0.36 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3ktu s VAL 265 CO 0.29 -0.41 1.54 -2.84 0.00 0.00 0.00 175.10 173.69 3ktu s PRO 266 N 1.14 4.20 -0.42 2.72 0.02 -1.26 -4.80 135.00 136.60 3ktu s PRO 266 Ca 0.04 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.97 3ktu s PRO 266 Cb -0.19 -3.91 0.04 0.00 0.02 0.00 0.00 34.50 30.47 3ktu s PRO 266 CO -0.10 -0.80 0.30 0.08 -0.33 0.00 0.00 177.00 176.16 3ktu s VAL 267 N 3.81 5.03 0.02 3.83 1.01 -1.26 -4.87 120.40 127.96 3ktu s VAL 267 Ca 0.68 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3ktu s VAL 267 Cb -0.30 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3ktu s VAL 267 CO 0.26 -0.38 0.00 -0.90 0.00 0.00 0.00 175.10 174.08 3ktu n ASP 268 N 5.12 1.60 -0.23 3.32 5.75 -1.26 -4.81 116.55 126.05 3ktu n ASP 268 Ca -0.11 -1.08 -0.06 0.00 -0.01 0.00 0.00 54.79 53.52 3ktu n ASP 268 Cb 0.46 0.02 0.04 0.00 -1.03 0.00 0.00 41.12 40.61 3ktu n ASP 268 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3ktu h VAL 269 N 1.02 1.19 -0.29 2.12 2.07 -2.00 -2.57 116.25 117.78 3ktu h VAL 269 Ca -0.01 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.16 3ktu h VAL 269 Cb 0.05 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 3ktu h VAL 269 CO 0.02 0.19 -0.31 0.45 0.02 0.00 0.00 177.57 177.94 3ktu h HIS 270 N 0.87 -0.86 -0.07 1.57 -0.00 -1.98 -1.02 115.15 113.66 3ktu h HIS 270 Ca 0.23 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 3ktu h HIS 270 Cb -0.03 0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 3ktu h HIS 270 CO -0.02 -0.38 -0.03 0.52 -0.00 0.00 0.00 177.93 178.02 3ktu h MET 271 N -0.30 0.10 -0.43 2.45 2.86 -1.85 -1.43 114.93 116.33 3ktu h MET 271 Ca 0.14 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 3ktu h MET 271 Cb 0.53 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3ktu h MET 271 CO -0.46 0.14 -0.18 -1.49 1.06 0.00 0.00 176.91 175.98 3ktu h TRP 272 N 0.10 1.00 -0.56 -0.22 4.06 -0.82 -0.66 115.95 118.84 3ktu h TRP 272 Ca 0.02 -0.24 -0.09 0.00 2.06 0.00 0.00 58.89 60.64 3ktu h TRP 272 Cb 0.12 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 3ktu h TRP 272 CO 0.00 1.01 -0.01 1.25 -3.56 0.00 0.00 178.44 177.13 3ktu h HIS 273 N 0.70 1.05 0.01 0.49 2.76 -0.68 -2.43 115.15 117.04 3ktu h HIS 273 Ca 0.10 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3ktu h HIS 273 Cb 0.74 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.42 3ktu h HIS 273 CO 0.05 0.95 -0.00 0.82 -1.30 0.00 0.00 177.93 178.45 3ktu h ILE 274 N 0.89 1.17 -0.53 6.26 2.04 -1.11 -1.48 117.51 124.75 3ktu h ILE 274 Ca 0.16 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3ktu h ILE 274 Cb 0.54 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 3ktu h ILE 274 CO 0.03 0.14 0.14 0.00 0.00 0.00 0.00 178.15 178.46 3ktu h ALA 275 N 0.74 0.63 -0.10 1.87 0.00 -1.03 -0.11 119.26 121.27 3ktu h ALA 275 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ktu h ALA 275 Cb 0.24 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ktu h ALA 275 CO 0.00 -0.27 -0.07 1.96 0.00 0.00 0.00 179.25 180.87 3ktu h GLN 276 N 0.30 0.22 -0.10 0.00 4.20 -1.41 -1.59 115.11 116.73 3ktu h GLN 276 Ca 0.27 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 3ktu h GLN 276 Cb 0.35 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3ktu h GLN 276 CO -0.32 0.61 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.16 3ktu h ARG 277 N -0.17 0.32 0.00 1.46 2.43 -1.14 -2.35 114.38 114.93 3ktu h ARG 277 Ca 0.02 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3ktu h ARG 277 Cb 0.56 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3ktu h ARG 277 CO 0.02 0.80 -1.13 -0.25 -1.51 0.00 0.00 179.97 177.90 3ktu n ASP 278 N -4.52 0.62 0.00 -3.80 10.43 -0.07 -4.43 116.55 114.78 3ktu n ASP 278 Ca -0.07 -0.37 0.00 0.00 2.57 0.00 0.00 54.79 56.92 3ktu n ASP 278 Cb 0.41 0.98 0.00 0.00 1.84 0.00 0.00 41.12 44.36 3ktu n ASP 278 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3ktu n TYR 279 N -1.87 0.00 -2.47 1.24 4.02 -0.71 -4.98 117.16 112.39 3ktu n TYR 279 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 3ktu n TYR 279 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.74 3ktu n TYR 279 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3ktu n SER 280 N -0.28 -4.96 -4.76 7.72 7.64 -0.68 -4.92 113.62 113.38 3ktu n SER 280 Ca 0.00 0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 3ktu n SER 280 Cb 0.05 -4.15 0.01 0.00 -1.01 0.00 0.00 64.21 59.11 3ktu n SER 280 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3ktu s TRP 281 N -2.85 2.61 -0.09 1.43 -0.00 -0.72 -4.94 118.94 114.37 3ktu s TRP 281 Ca 0.02 1.46 -0.10 0.00 -0.00 0.00 0.00 56.10 57.48 3ktu s TRP 281 Cb -0.01 -3.56 0.03 0.00 -0.00 0.00 0.00 33.47 29.92 3ktu s TRP 281 CO 0.03 -2.13 0.28 -1.01 -0.00 0.00 0.00 176.95 174.13 3ktu s HIS 282 N -1.44 -0.29 0.39 5.86 3.76 -1.26 -4.50 115.29 117.81 3ktu s HIS 282 Ca 0.67 0.68 -0.28 0.00 -0.15 0.00 0.00 55.06 55.99 3ktu s HIS 282 Cb -0.34 0.10 -0.11 0.00 1.11 0.00 0.00 32.58 33.35 3ktu s HIS 282 CO 0.40 -0.18 1.48 -2.14 -0.85 0.00 0.00 174.74 173.45 3ktu s PRO 283 N -0.07 4.04 0.00 8.40 0.02 -1.26 -4.98 135.00 141.16 3ktu s PRO 283 Ca -0.02 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ktu s PRO 283 Cb -0.03 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3ktu s PRO 283 CO 0.01 -0.58 0.00 2.41 -0.33 0.00 0.00 177.00 178.51 3ktu n THR 284 N 0.36 0.00 1.20 0.99 -1.04 -1.26 -4.72 114.28 109.81 3ktu n THR 284 Ca 0.02 0.35 0.12 0.00 -2.04 0.00 0.00 64.05 62.50 3ktu n THR 284 Cb 0.40 -1.35 0.62 0.00 -1.82 0.00 0.00 70.33 68.18 3ktu n THR 284 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3ktu n THR 285 N -2.49 0.20 -4.04 12.58 -2.24 -1.26 -4.83 114.28 112.20 3ktu n THR 285 Ca 0.00 0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 3ktu n THR 285 Cb 0.00 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.53 3ktu n THR 285 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ktu s SER 286 N -2.48 5.83 -0.02 3.42 1.04 -1.26 -5.07 113.70 115.16 3ktu s SER 286 Ca 0.25 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 3ktu s SER 286 Cb 0.16 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 3ktu s SER 286 CO 0.35 0.01 0.32 1.56 0.98 0.00 0.00 173.24 176.47 3ktu h GLN 287 N 1.88 -0.12 -6.34 4.02 7.50 -1.95 -3.48 115.11 116.61 3ktu h GLN 287 Ca -0.49 0.01 -0.58 0.00 0.50 0.00 0.00 58.65 58.09 3ktu h GLN 287 Cb 1.22 0.03 0.18 0.00 0.05 0.00 0.00 27.48 28.96 3ktu h GLN 287 CO 0.63 -0.08 -0.76 0.00 -1.50 0.00 0.00 178.83 177.12 3ktu n ALA 288 N -2.26 -2.20 0.37 3.87 0.00 -1.26 -4.91 120.51 114.12 3ktu n ALA 288 Ca -0.02 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.40 3ktu n ALA 288 Cb 0.05 -1.64 0.02 0.00 0.00 0.00 0.00 19.45 17.88 3ktu n ALA 288 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ktu n LYS 289 N 0.48 0.42 -0.88 0.00 4.76 -1.26 -4.84 118.16 116.85 3ktu n LYS 289 Ca 0.09 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3ktu n LYS 289 Cb 0.49 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 3ktu n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ktu n GLY 290 N 1.30 5.64 3.68 0.72 0.00 -1.26 -4.89 105.19 110.38 3ktu n GLY 290 Ca 0.01 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 3ktu n GLY 290 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ktu n PRO 291 N 0.00 2.42 -3.49 1.61 -0.02 -1.26 -4.76 135.00 129.50 3ktu n PRO 291 Ca 0.00 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 3ktu n PRO 291 Cb 0.00 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 30.76 3ktu n PRO 291 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ktu s SER 292 N 1.81 -0.44 0.42 2.55 1.04 -1.26 -4.99 113.70 112.83 3ktu s SER 292 Ca 0.81 -0.03 0.18 0.00 0.48 0.00 0.00 55.95 57.39 3ktu s SER 292 Cb -0.60 0.48 1.10 0.00 0.10 0.00 0.00 66.02 67.10 3ktu s SER 292 CO 0.39 -0.79 1.83 1.55 0.98 0.00 0.00 173.24 177.19 3ktu h PRO 293 N 2.00 0.38 -0.01 4.02 0.13 -1.99 0.11 132.00 136.65 3ktu h PRO 293 Ca -0.27 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.67 3ktu h PRO 293 Cb 1.27 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.33 3ktu h PRO 293 CO 0.33 0.25 -0.65 1.96 -0.23 0.00 0.00 178.00 179.66 3ktu h GLN 294 N 0.39 0.46 -0.30 0.86 7.50 -1.96 -2.83 115.11 119.23 3ktu h GLN 294 Ca 0.51 -0.48 -0.14 0.00 0.50 0.00 0.00 58.65 59.04 3ktu h GLN 294 Cb 1.31 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.96 3ktu h GLN 294 CO -0.21 1.13 -0.39 1.79 -1.50 0.00 0.00 178.83 179.65 3ktu h THR 295 N -0.02 1.29 -0.68 -0.54 1.35 -1.68 -2.21 112.91 110.41 3ktu h THR 295 Ca -0.08 -1.57 -0.07 0.00 -0.55 0.00 0.00 66.41 64.14 3ktu h THR 295 Cb 1.35 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 3ktu h THR 295 CO 0.13 0.51 0.14 0.78 -0.25 0.00 0.00 175.52 176.83 3ktu h ASN 296 N 0.59 1.05 -0.63 5.36 2.35 -0.89 -1.07 115.58 122.34 3ktu h ASN 296 Ca 0.05 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.50 3ktu h ASN 296 Cb 0.93 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3ktu h ASN 296 CO 0.09 1.03 0.20 0.50 -1.65 0.00 0.00 177.43 177.59 3ktu h LYS 297 N 1.03 0.98 -0.59 0.81 3.64 -1.40 -2.56 116.57 118.49 3ktu h LYS 297 Ca 0.21 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3ktu h LYS 297 Cb 0.40 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3ktu h LYS 297 CO 0.01 0.87 0.22 1.49 -2.27 0.00 0.00 179.45 179.77 3ktu h GLU 298 N 0.91 0.90 -0.82 1.90 4.81 -1.07 -2.75 114.58 118.45 3ktu h GLU 298 Ca 0.20 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ktu h GLU 298 Cb 0.29 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3ktu h GLU 298 CO -0.01 0.78 0.54 1.25 -0.73 0.00 0.00 179.01 180.84 3ktu h LEU 299 N 0.83 0.95 -1.13 1.64 5.85 -0.99 -0.21 115.31 122.25 3ktu h LEU 299 Ca 0.20 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3ktu h LEU 299 Cb 0.22 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3ktu h LEU 299 CO -0.01 0.69 0.59 1.23 -0.34 0.00 0.00 178.44 180.60 3ktu h GLY 300 N 1.12 1.26 1.30 3.75 0.00 -1.25 -1.68 103.07 107.57 3ktu h GLY 300 Ca 0.30 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 3ktu h GLY 300 CO -0.06 0.45 -0.09 3.43 0.00 0.00 0.00 176.54 180.27 3ktu h ASN 301 N 1.19 0.82 -0.09 0.19 -0.26 -1.02 -1.34 115.58 115.08 3ktu h ASN 301 Ca 0.33 -0.24 0.02 0.00 -0.56 0.00 0.00 56.30 55.85 3ktu h ASN 301 Cb -0.11 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 36.90 3ktu h ASN 301 CO -0.08 0.94 -0.03 0.15 -1.06 0.00 0.00 177.43 177.35 3ktu h PHE 302 N 0.76 -0.07 -0.05 1.19 3.57 -0.18 -0.61 116.94 121.55 3ktu h PHE 302 Ca 0.13 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 3ktu h PHE 302 Cb 0.58 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3ktu h PHE 302 CO 0.03 -0.05 -0.42 0.74 -2.23 0.00 0.00 178.31 176.38 3ktu h PHE 303 N -0.02 0.11 -0.34 0.41 0.05 -1.27 -1.62 116.94 114.27 3ktu h PHE 303 Ca 0.05 -0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.71 3ktu h PHE 303 Cb 0.09 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 3ktu h PHE 303 CO -0.15 0.50 -0.15 0.00 -0.18 0.00 0.00 178.31 178.33 3ktu h ARG 304 N 0.08 0.71 0.00 1.51 3.08 -0.83 -0.23 114.38 118.70 3ktu h ARG 304 Ca 0.01 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 3ktu h ARG 304 Cb 0.78 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3ktu h ARG 304 CO 0.06 0.91 -0.30 0.66 -1.07 0.00 0.00 179.97 180.22 3ktu h SER 305 N 0.49 0.00 0.04 7.04 4.64 -0.92 0.17 113.55 125.00 3ktu h SER 305 Ca 0.08 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3ktu h SER 305 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3ktu h SER 305 CO 0.05 0.30 -0.28 0.25 -0.87 0.00 0.00 176.83 176.28 3ktu h LEU 306 N 0.00 0.18 0.00 5.97 5.85 -1.11 -3.39 115.31 122.81 3ktu h LEU 306 Ca -0.00 -0.92 -0.08 0.00 0.84 0.00 0.00 57.88 57.72 3ktu h LEU 306 Cb 0.83 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3ktu h LEU 306 CO 0.04 1.08 -1.78 0.79 -0.34 0.00 0.00 178.44 178.23 3ktu n TRP 307 N -4.46 0.34 -0.54 1.25 8.01 -0.12 -4.86 117.44 117.06 3ktu n TRP 307 Ca -0.11 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3ktu n TRP 307 Cb 0.57 -0.76 0.00 0.00 -2.01 0.00 0.00 31.31 29.11 3ktu n TRP 307 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ktu n GLY 308 N 1.34 -1.81 0.41 6.99 0.00 0.57 -4.55 105.19 108.15 3ktu n GLY 308 Ca -0.09 -1.94 0.21 0.00 0.00 0.00 0.00 46.02 44.20 3ktu n GLY 308 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ktu h PRO 309 N 0.00 0.00 -0.24 1.61 0.11 -1.94 -1.12 132.00 130.42 3ktu h PRO 309 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3ktu h PRO 309 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 3ktu h PRO 309 CO 0.00 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.25 3ktu n TYR 310 N -3.42 0.74 -0.34 0.65 4.02 -1.26 -1.17 117.16 116.38 3ktu n TYR 310 Ca 0.10 -1.54 0.20 0.00 -0.01 0.00 0.00 57.90 56.64 3ktu n TYR 310 Cb 0.83 -0.41 0.42 0.00 -0.02 0.00 0.00 39.34 40.16 3ktu n TYR 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ktu h ALA 311 N 1.00 1.86 -0.83 -0.72 0.00 -1.20 0.28 119.26 119.66 3ktu h ALA 311 Ca 0.15 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3ktu h ALA 311 Cb 1.45 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 3ktu h ALA 311 CO 0.26 -0.38 0.51 0.78 0.00 0.00 0.00 179.25 180.41 3ktu h GLY 312 N 0.49 1.26 1.04 0.00 0.00 -0.92 0.99 103.07 105.94 3ktu h GLY 312 Ca 0.68 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 3ktu h GLY 312 CO -0.51 0.22 -0.07 1.49 0.00 0.00 0.00 176.54 177.66 3ktu h TRP 313 N 0.90 1.03 -0.76 5.60 4.06 -1.07 -1.92 115.95 123.79 3ktu h TRP 313 Ca 0.37 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 61.12 3ktu h TRP 313 Cb 0.22 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 3ktu h TRP 313 CO -0.04 0.98 0.49 0.00 -3.56 0.00 0.00 178.44 176.30 3ktu h ALA 314 N 0.91 0.96 -0.80 1.49 0.00 -0.96 -1.19 119.26 119.66 3ktu h ALA 314 Ca 0.13 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3ktu h ALA 314 Cb 0.62 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3ktu h ALA 314 CO 0.04 0.40 0.47 0.37 0.00 0.00 0.00 179.25 180.52 3ktu h GLN 315 N 1.03 0.79 -0.97 0.00 -0.00 -0.55 -1.57 115.11 113.84 3ktu h GLN 315 Ca 0.28 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.89 3ktu h GLN 315 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 27.48 27.16 3ktu h GLN 315 CO -0.06 0.52 0.64 0.00 0.00 0.00 0.00 178.83 179.94 3ktu h ALA 316 N 1.42 1.32 -0.31 3.38 0.00 -0.43 0.35 119.26 124.99 3ktu h ALA 316 Ca 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ktu h ALA 316 Cb 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ktu h ALA 316 CO -0.22 0.63 0.18 0.28 0.00 0.00 0.00 179.25 180.13 3ktu h VAL 317 N 1.31 1.11 -0.04 0.00 2.07 -0.87 0.22 116.25 120.06 3ktu h VAL 317 Ca 0.36 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 3ktu h VAL 317 Cb -0.14 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3ktu h VAL 317 CO -0.08 0.11 -0.36 -0.07 0.02 0.00 0.00 177.57 177.20 3ktu h LEU 318 N 0.39 0.37 -0.81 2.57 3.38 -1.22 -1.45 115.31 118.55 3ktu h LEU 318 Ca 0.11 -0.71 0.12 0.00 0.09 0.00 0.00 57.88 57.49 3ktu h LEU 318 Cb 0.02 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3ktu h LEU 318 CO -0.02 1.02 0.43 0.15 0.09 0.00 0.00 178.44 180.11 3ktu h PHE 319 N -0.24 0.76 -0.26 1.13 3.57 -0.24 0.59 116.94 122.24 3ktu h PHE 319 Ca -0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3ktu h PHE 319 Cb 1.05 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3ktu h PHE 319 CO 0.15 0.25 -0.17 1.03 -2.23 0.00 0.00 178.31 177.33 3ktu h SER 320 N 0.67 0.61 0.95 0.41 0.87 -0.59 -2.35 113.55 114.12 3ktu h SER 320 Ca 0.41 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3ktu h SER 320 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3ktu h SER 320 CO -0.30 0.91 0.00 0.00 -0.53 0.00 0.00 176.83 176.91 3ktu h ALA 321 N 0.72 1.00 0.22 6.23 0.00 -0.31 -2.96 119.26 124.16 3ktu h ALA 321 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 3ktu h ALA 321 Cb 0.70 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ktu h ALA 321 CO 0.05 0.00 -1.58 0.22 0.00 0.00 0.00 179.25 177.94 3ktu h ASP 322 N 0.00 0.73 0.31 0.00 3.58 0.40 -3.24 116.42 118.21 3ktu h ASP 322 Ca 0.00 -0.89 -0.00 0.00 0.42 0.00 0.00 57.03 56.56 3ktu h ASP 322 Cb 0.48 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 3ktu h ASP 322 CO 0.00 1.72 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.99 3ktu h LEU 323 N 0.13 0.00 0.00 2.28 3.38 -1.26 -2.04 115.31 117.80 3ktu h LEU 323 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3ktu h LEU 323 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 3ktu h LEU 323 CO 0.23 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.32 3ktu n ARG 324 N -3.18 0.63 0.00 1.13 3.00 -1.19 -5.13 116.66 111.92 3ktu n ARG 324 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.93 3ktu n ARG 324 Cb 0.15 -1.14 0.09 0.00 0.00 0.00 0.00 32.46 31.57 3ktu n ARG 324 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67