#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akw s ARG 2 N 0.00 4.33 -0.34 2.12 0.52 -1.26 -0.21 118.95 124.11 2akw s ARG 2 Ca 0.00 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 2akw s ARG 2 Cb 0.00 -3.46 0.10 0.00 0.52 0.00 0.00 34.95 32.11 2akw s ARG 2 CO 0.00 0.10 0.06 0.08 0.02 0.00 0.00 175.30 175.57 2akw s VAL 3 N 0.79 2.45 -0.30 3.52 1.01 0.12 -4.85 120.40 123.15 2akw s VAL 3 Ca 0.27 -2.22 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 2akw s VAL 3 Cb -0.15 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2akw s VAL 3 CO 0.11 -0.56 1.31 -2.84 0.00 0.00 0.00 175.10 173.12 2akw s PRO 4 N 0.96 3.91 0.19 2.72 0.02 -1.26 -0.61 135.00 140.93 2akw s PRO 4 Ca 0.09 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 62.15 2akw s PRO 4 Cb -0.20 -3.88 0.12 0.00 0.02 0.00 0.00 34.50 30.56 2akw s PRO 4 CO -0.07 -1.12 1.58 0.35 -0.33 0.00 0.00 177.00 177.41 2akw h PHE 5 N 9.32 -0.94 0.00 6.54 3.57 -1.55 -0.97 116.94 132.91 2akw h PHE 5 Ca -0.26 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 2akw h PHE 5 Cb 1.10 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 2akw h PHE 5 CO 0.88 -0.38 -0.18 0.66 -2.23 0.00 0.00 178.31 177.06 2akw h SER 6 N -0.16 0.00 0.11 0.41 4.64 -1.93 0.45 113.55 117.07 2akw h SER 6 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2akw h SER 6 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2akw h SER 6 CO -0.69 0.18 -0.05 -0.25 -0.87 0.00 0.00 176.83 175.15 2akw h TRP 7 N 0.00 -0.14 -0.86 4.77 2.91 -1.61 -3.02 115.95 118.01 2akw h TRP 7 Ca -0.00 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.07 2akw h TRP 7 Cb 0.39 0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.03 2akw h TRP 7 CO 0.00 0.34 0.54 1.25 -1.03 0.00 0.00 178.44 179.53 2akw h LEU 8 N -0.70 0.85 -1.88 0.65 5.85 -1.10 -0.39 115.31 118.59 2akw h LEU 8 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2akw h LEU 8 Cb 0.53 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2akw h LEU 8 CO 0.02 0.56 0.08 0.50 -0.34 0.00 0.00 178.44 179.26 2akw h LYS 9 N 0.99 0.00 0.00 1.25 3.64 -0.87 0.98 116.57 122.56 2akw h LYS 9 Ca 0.37 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 2akw h LYS 9 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2akw h LYS 9 CO -0.16 0.00 -0.53 0.00 -2.27 0.00 0.00 179.45 176.49 2akw h ALA 10 N 1.81 0.91 0.00 5.00 0.00 -0.93 -1.41 119.26 124.64 2akw h ALA 10 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 2akw h ALA 10 Cb 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2akw h ALA 10 CO 0.00 0.66 -2.16 0.66 0.00 0.00 0.00 179.25 178.41 2akw n TYR 11 N -3.60 0.30 -3.40 0.00 4.01 0.19 -4.58 117.16 110.08 2akw n TYR 11 Ca -0.00 0.11 -0.27 0.00 -0.16 0.00 0.00 57.90 57.58 2akw n TYR 11 Cb 0.60 -1.03 -0.08 0.00 -0.31 0.00 0.00 39.34 38.52 2akw n TYR 11 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2akw n VAL 12 N -2.82 1.75 -0.35 -0.72 0.31 -0.33 0.82 118.33 117.00 2akw n VAL 12 Ca -0.27 -4.97 0.23 0.00 -0.01 0.00 0.00 64.34 59.32 2akw n VAL 12 Cb 1.10 -2.07 0.47 0.00 -0.91 0.00 0.00 33.84 32.43 2akw n VAL 12 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2akw h PRO 13 N 4.21 0.39 -0.17 5.55 0.13 -1.46 -2.55 132.00 138.09 2akw h PRO 13 Ca 0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2akw h PRO 13 Cb 0.71 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2akw h PRO 13 CO 0.76 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 179.18 2akw n GLU 14 N -4.86 1.07 -1.71 0.86 1.02 -1.26 -4.91 120.64 110.85 2akw n GLU 14 Ca 0.29 -0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.91 2akw n GLU 14 Cb 0.93 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 31.22 2akw n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2akw n LEU 15 N -0.35 3.83 -0.15 -4.62 4.77 -0.96 -4.92 117.00 114.60 2akw n LEU 15 Ca 0.01 1.05 -0.10 0.00 -0.03 0.00 0.00 56.01 56.94 2akw n LEU 15 Cb 0.06 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.60 2akw n LEU 15 CO 0.01 0.09 0.76 -0.33 -1.33 0.00 0.00 177.39 176.59 2akw h GLU 16 N 6.86 0.82 0.00 3.23 3.07 -1.92 -3.48 114.58 123.15 2akw h GLU 16 Ca -0.44 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.13 2akw h GLU 16 Cb 1.21 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2akw h GLU 16 CO 0.94 0.91 0.00 -1.13 -1.40 0.00 0.00 179.01 178.33 2akw n SER 17 N -4.33 0.00 0.24 1.42 3.41 -1.26 -4.96 113.62 108.14 2akw n SER 17 Ca -0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2akw n SER 17 Cb 0.34 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.88 2akw n SER 17 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2akw h PRO 18 N 0.00 0.00 -0.05 4.33 0.13 -1.98 -0.15 132.00 134.29 2akw h PRO 18 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2akw h PRO 18 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2akw h PRO 18 CO 0.00 0.17 -0.04 0.93 -0.23 0.00 0.00 178.00 178.83 2akw h GLU 19 N 0.00 0.11 -0.10 0.86 3.07 -2.00 -0.91 114.58 115.61 2akw h GLU 19 Ca -0.00 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 2akw h GLU 19 Cb 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2akw h GLU 19 CO 0.02 0.55 -0.20 0.28 -1.40 0.00 0.00 179.01 178.26 2akw h VAL 20 N -0.33 1.19 -0.21 3.13 2.07 -1.88 -2.62 116.25 117.61 2akw h VAL 20 Ca 0.01 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 2akw h VAL 20 Cb 0.52 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2akw h VAL 20 CO 0.01 0.27 0.01 0.25 0.02 0.00 0.00 177.57 178.13 2akw h LEU 21 N 0.16 0.35 -1.02 2.57 5.85 -0.86 -1.09 115.31 121.27 2akw h LEU 21 Ca 0.03 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.59 2akw h LEU 21 Cb 0.44 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 2akw h LEU 21 CO 0.03 0.56 0.63 -0.08 -0.34 0.00 0.00 178.44 179.23 2akw h GLU 22 N 0.14 0.91 -0.00 1.25 4.81 -0.84 0.03 114.58 120.87 2akw h GLU 22 Ca 0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2akw h GLU 22 Cb 0.37 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2akw h GLU 22 CO 0.01 0.60 0.00 1.49 -0.73 0.00 0.00 179.01 180.38 2akw h GLU 23 N 0.93 0.01 -0.69 1.92 4.81 -1.16 -1.76 114.58 118.65 2akw h GLU 23 Ca 0.51 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.72 2akw h GLU 23 Cb 0.59 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2akw h GLU 23 CO -0.29 0.20 0.33 0.00 -0.73 0.00 0.00 179.01 178.52 2akw h ARG 24 N -0.18 0.97 -0.04 1.92 3.08 0.01 -2.09 114.38 118.05 2akw h ARG 24 Ca 0.00 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 2akw h ARG 24 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2akw h ARG 24 CO -0.00 0.75 -0.60 -0.07 -1.07 0.00 0.00 179.97 178.98 2akw h LEU 25 N 0.97 0.18 -0.06 3.04 3.38 -0.96 -2.50 115.31 119.37 2akw h LEU 25 Ca 0.24 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2akw h LEU 25 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2akw h LEU 25 CO -0.03 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.24 2akw h ALA 26 N 1.27 0.05 0.00 1.53 0.00 -0.64 0.30 119.26 121.77 2akw h ALA 26 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2akw h ALA 26 Cb 1.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2akw h ALA 26 CO 0.09 -0.47 -0.02 0.78 0.00 0.00 0.00 179.25 179.63 2akw h GLY 27 N 0.03 0.00 1.44 0.00 0.00 -1.36 -1.90 103.07 101.27 2akw h GLY 27 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2akw h GLY 27 CO -0.04 0.00 -0.35 1.04 0.00 0.00 0.00 176.54 177.19 2akw n LEU 28 N -3.14 0.51 0.00 3.11 4.77 -0.78 -4.80 117.00 116.67 2akw n LEU 28 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2akw n LEU 28 Cb 0.23 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2akw n LEU 28 CO 0.25 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2akw n GLY 29 N 1.41 1.37 3.05 -0.72 0.00 -0.71 -5.04 105.19 104.56 2akw n GLY 29 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2akw n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2akw s PHE 30 N -2.00 2.85 -0.13 1.61 0.08 0.99 -4.83 117.98 116.55 2akw s PHE 30 Ca 0.00 -1.91 -0.15 0.00 0.12 0.00 0.00 56.93 54.99 2akw s PHE 30 Cb 0.00 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 2akw s PHE 30 CO 0.00 -0.82 0.36 -2.00 -0.10 0.00 0.00 175.22 172.66 2akw s GLU 31 N 1.25 4.22 -0.21 0.44 2.12 -1.26 -2.48 118.70 122.79 2akw s GLU 31 Ca -0.03 0.24 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 2akw s GLU 31 Cb -0.17 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 2akw s GLU 31 CO -0.08 0.29 0.36 0.95 -0.54 0.00 0.00 175.26 176.23 2akw s THR 32 N 0.28 5.22 -2.38 -1.70 -4.23 -1.26 -1.04 115.64 110.54 2akw s THR 32 Ca 0.20 0.62 0.26 0.00 -1.18 0.00 0.00 61.69 61.59 2akw s THR 32 Cb -0.14 -3.69 0.54 0.00 1.34 0.00 0.00 72.50 70.55 2akw s THR 32 CO 0.07 0.27 1.71 0.47 -0.54 0.00 0.00 174.62 176.60 2akw n ASP 33 N 4.45 1.41 0.00 3.99 8.00 0.36 -4.93 116.55 129.83 2akw n ASP 33 Ca -0.09 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 53.87 2akw n ASP 33 Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2akw n ASP 33 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2akw n ARG 34 N 0.12 0.00 -4.11 -1.24 0.63 -1.25 -4.97 116.66 105.84 2akw n ARG 34 Ca 0.18 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.85 2akw n ARG 34 Cb 0.32 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.06 2akw n ARG 34 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2akw s ILE 35 N -1.83 1.05 -0.01 5.15 1.01 -1.26 -0.51 121.20 124.79 2akw s ILE 35 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2akw s ILE 35 Cb 0.00 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2akw s ILE 35 CO 0.00 0.36 -0.15 -1.61 0.00 0.00 0.00 174.94 173.54 2akw s GLU 36 N 1.38 1.20 -0.09 2.79 2.02 -0.39 -4.94 118.70 120.67 2akw s GLU 36 Ca -0.01 -0.52 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 2akw s GLU 36 Cb -0.14 -1.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 2akw s GLU 36 CO -0.05 0.31 0.52 0.50 0.02 0.00 0.00 175.26 176.56 2akw s ARG 37 N -0.33 4.32 0.00 1.61 3.52 -1.26 0.87 118.95 127.68 2akw s ARG 37 Ca 0.05 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2akw s ARG 37 Cb -0.06 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2akw s ARG 37 CO -0.00 0.22 0.00 1.33 -0.81 0.00 0.00 175.30 176.03 2akw n VAL 38 N 3.41 0.00 -3.10 7.11 0.24 0.41 -4.94 118.33 121.47 2akw n VAL 38 Ca -0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 2akw n VAL 38 Cb 0.52 0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.05 2akw n VAL 38 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2akw n PHE 39 N -1.34 3.55 -2.38 6.34 3.72 -1.26 -4.85 117.46 121.24 2akw n PHE 39 Ca 0.00 -3.73 -0.43 0.00 -0.05 0.00 0.00 57.45 53.24 2akw n PHE 39 Cb 0.07 -0.69 -0.02 0.00 -0.94 0.00 0.00 39.48 37.90 2akw n PHE 39 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2akw s PRO 40 N -3.11 4.25 -0.15 -1.08 0.04 -1.26 -3.94 135.00 129.75 2akw s PRO 40 Ca 0.42 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2akw s PRO 40 Cb 0.19 -3.73 0.03 0.00 0.04 0.00 0.00 34.50 31.03 2akw s PRO 40 CO -0.06 -0.66 -0.11 0.42 0.04 0.00 0.00 177.00 176.63 2akw s ILE 41 N 3.21 1.43 0.87 0.56 1.01 -1.26 -4.93 121.20 122.08 2akw s ILE 41 Ca 0.57 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 2akw s ILE 41 Cb -0.24 -1.41 0.12 0.00 0.01 0.00 0.00 42.46 40.94 2akw s ILE 41 CO 0.18 0.36 1.14 -2.84 0.00 0.00 0.00 174.94 173.78 2akw s PRO 42 N 1.53 1.39 0.50 2.79 0.02 -1.26 -4.75 135.00 135.23 2akw s PRO 42 Ca 0.04 1.47 0.24 0.00 0.02 0.00 0.00 61.00 62.77 2akw s PRO 42 Cb -0.14 -1.78 1.35 0.00 0.02 0.00 0.00 34.50 33.96 2akw s PRO 42 CO -0.10 -2.34 2.05 -0.09 -0.33 0.00 0.00 177.00 176.20 2akw h ARG 43 N -1.60 0.00 0.00 5.54 2.43 -2.00 -2.71 114.38 116.04 2akw h ARG 43 Ca -0.43 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2akw h ARG 43 Cb 1.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2akw h ARG 43 CO 0.44 0.14 -0.00 0.78 -1.51 0.00 0.00 179.97 179.82 2akw h GLY 44 N 0.79 0.00 -6.11 2.80 0.00 -1.93 -3.41 103.07 95.22 2akw h GLY 44 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2akw h GLY 44 CO 0.02 0.00 0.22 0.14 0.00 0.00 0.00 176.54 176.92 2akw s VAL 45 N -4.14 4.96 0.28 4.60 1.01 -1.02 -1.28 120.40 124.81 2akw s VAL 45 Ca -0.04 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.27 2akw s VAL 45 Cb 0.13 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 2akw s VAL 45 CO 0.44 0.03 -0.05 0.68 0.00 0.00 0.00 175.10 176.21 2akw s VAL 46 N 2.37 1.61 0.18 2.92 -7.23 0.90 -1.78 120.40 119.36 2akw s VAL 46 Ca 0.29 -2.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.08 2akw s VAL 46 Cb -0.16 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 2akw s VAL 46 CO 0.09 -0.27 0.86 0.12 -0.31 0.00 0.00 175.10 175.58 2akw s PHE 47 N -3.03 3.92 0.07 2.82 5.36 -0.50 -0.41 117.98 126.21 2akw s PHE 47 Ca 0.30 1.75 0.00 0.00 -0.96 0.00 0.00 56.93 58.03 2akw s PHE 47 Cb 0.04 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 2akw s PHE 47 CO 0.12 0.45 -0.05 0.00 -1.46 0.00 0.00 175.22 174.29 2akw s ALA 48 N -1.00 0.70 -0.13 11.12 0.00 -0.59 -0.75 121.76 131.11 2akw s ALA 48 Ca 0.39 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2akw s ALA 48 Cb -0.24 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2akw s ALA 48 CO 0.29 -0.28 -0.19 0.50 0.00 0.00 0.00 175.76 176.08 2akw s ARG 49 N -3.62 3.14 -0.75 0.00 3.52 0.04 -0.87 118.95 120.41 2akw s ARG 49 Ca 0.07 -0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 54.60 2akw s ARG 49 Cb 0.05 -2.49 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2akw s ARG 49 CO -0.07 0.07 1.27 0.08 -0.81 0.00 0.00 175.30 175.84 2akw s VAL 50 N 0.65 3.77 0.15 7.11 1.01 -0.74 0.42 120.40 132.77 2akw s VAL 50 Ca -0.10 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2akw s VAL 50 Cb -0.16 -4.91 -0.07 0.00 0.00 0.00 0.00 36.38 31.24 2akw s VAL 50 CO 0.02 -1.84 1.45 -0.07 0.00 0.00 0.00 175.10 174.66 2akw h LEU 51 N 12.92 0.86 -7.00 3.92 3.38 -1.25 -1.56 115.31 126.58 2akw h LEU 51 Ca -0.26 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 2akw h LEU 51 Cb 1.05 -0.25 -0.20 0.00 0.09 0.00 0.00 40.66 41.36 2akw h LEU 51 CO 1.28 1.22 0.32 -0.70 0.09 0.00 0.00 178.44 180.65 2akw s GLU 52 N -4.12 0.92 -0.07 1.13 2.56 -1.09 -4.71 118.70 113.32 2akw s GLU 52 Ca -0.10 0.16 0.05 0.00 0.00 0.00 0.00 54.97 55.08 2akw s GLU 52 Cb 0.11 0.43 -0.01 0.00 2.00 0.00 0.00 34.13 36.65 2akw s GLU 52 CO 0.87 -0.30 -0.21 0.00 -0.56 0.00 0.00 175.26 175.06 2akw s ALA 53 N -1.39 2.32 -0.13 6.30 0.00 -1.26 -0.06 121.76 127.54 2akw s ALA 53 Ca -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2akw s ALA 53 Cb -0.00 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.36 2akw s ALA 53 CO 0.05 0.42 -0.01 -1.01 0.00 0.00 0.00 175.76 175.21 2akw s HIS 54 N -0.20 1.09 0.25 0.00 3.76 0.56 -4.95 115.29 115.80 2akw s HIS 54 Ca -0.02 -0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 53.99 2akw s HIS 54 Cb -0.13 -1.03 -0.09 0.00 1.11 0.00 0.00 32.58 32.44 2akw s HIS 54 CO 0.03 -0.49 1.23 -1.25 -0.85 0.00 0.00 174.74 173.41 2akw s PRO 55 N 1.84 4.47 -0.18 8.40 0.04 -1.26 0.20 135.00 148.50 2akw s PRO 55 Ca 0.03 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2akw s PRO 55 Cb -0.14 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 2akw s PRO 55 CO -0.07 -0.07 1.14 0.42 0.04 0.00 0.00 177.00 178.46 2akw s ILE 56 N -0.62 4.49 0.08 0.56 -1.09 -0.15 -4.82 121.20 119.65 2akw s ILE 56 Ca 0.50 1.80 -0.34 0.00 -2.23 0.00 0.00 60.65 60.38 2akw s ILE 56 Cb -0.35 -4.16 -0.14 0.00 -1.58 0.00 0.00 42.46 36.23 2akw s ILE 56 CO 0.43 -0.14 1.63 -2.65 -1.23 0.00 0.00 174.94 172.98 2akw n PRO 57 N 6.29 2.01 0.00 2.79 -0.02 -1.26 -1.33 135.00 143.48 2akw n PRO 57 Ca 0.13 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2akw n PRO 57 Cb 0.46 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2akw n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2akw n GLY 58 N 3.57 2.07 3.71 -1.23 0.00 -1.26 -5.01 105.19 107.05 2akw n GLY 58 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2akw n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2akw s THR 59 N -2.45 2.04 -0.34 2.61 -4.23 -0.44 -5.02 115.64 107.80 2akw s THR 59 Ca 0.00 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 2akw s THR 59 Cb 0.00 -2.86 0.51 0.00 1.34 0.00 0.00 72.50 71.49 2akw s THR 59 CO 0.00 0.00 1.52 -2.11 -0.54 0.00 0.00 174.62 173.49 2akw n ARG 60 N -1.17 2.18 -4.14 3.99 -4.01 -1.26 -4.67 116.66 107.57 2akw n ARG 60 Ca -0.04 -3.33 -0.23 0.00 -1.04 0.00 0.00 57.85 53.21 2akw n ARG 60 Cb 0.66 -1.95 -0.06 0.00 -3.04 0.00 0.00 32.46 28.06 2akw n ARG 60 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2akw s LEU 61 N -3.36 3.31 0.05 2.89 1.43 -1.26 -4.74 118.68 116.99 2akw s LEU 61 Ca 0.48 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2akw s LEU 61 Cb 0.42 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2akw s LEU 61 CO 0.01 -0.20 -0.14 -0.54 0.23 0.00 0.00 176.35 175.71 2akw s LYS 62 N -3.81 0.86 -0.36 1.70 1.02 0.92 -0.97 119.74 119.10 2akw s LYS 62 Ca 0.36 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.38 2akw s LYS 62 Cb -0.04 -0.86 -0.00 0.00 -0.52 0.00 0.00 37.83 36.40 2akw s LYS 62 CO 0.22 0.20 0.35 0.50 -0.92 0.00 0.00 175.35 175.71 2akw s ARG 63 N -1.34 3.43 -0.15 1.68 3.52 0.53 -0.76 118.95 125.85 2akw s ARG 63 Ca -0.00 -0.56 -0.13 0.00 -0.13 0.00 0.00 55.73 54.90 2akw s ARG 63 Cb -0.09 -3.85 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 2akw s ARG 63 CO 0.02 -0.58 0.29 -0.51 -0.81 0.00 0.00 175.30 173.70 2akw s LEU 64 N 1.96 4.25 -0.37 -0.88 1.43 0.51 -0.32 118.68 125.27 2akw s LEU 64 Ca 0.10 0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 2akw s LEU 64 Cb -0.17 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 2akw s LEU 64 CO 0.12 0.12 0.26 -0.69 0.23 0.00 0.00 176.35 176.39 2akw s VAL 65 N 0.36 5.23 -0.09 -1.59 1.01 0.92 -1.68 120.40 124.57 2akw s VAL 65 Ca 0.16 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2akw s VAL 65 Cb -0.13 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2akw s VAL 65 CO 0.04 -0.14 -0.06 -0.76 0.00 0.00 0.00 175.10 174.19 2akw s LEU 66 N 1.70 3.22 -0.43 3.92 1.43 0.20 -0.71 118.68 128.01 2akw s LEU 66 Ca 0.05 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 2akw s LEU 66 Cb -0.18 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2akw s LEU 66 CO 0.10 0.32 0.63 -0.62 0.23 0.00 0.00 176.35 177.02 2akw s ASP 67 N -0.57 6.32 -0.23 2.29 -1.08 0.17 -0.61 116.67 122.96 2akw s ASP 67 Ca 0.09 -0.32 0.15 0.00 -0.52 0.00 0.00 52.55 51.95 2akw s ASP 67 Cb -0.12 -2.32 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 2akw s ASP 67 CO 0.02 -0.76 1.17 0.00 0.52 0.00 0.00 175.17 176.12 2akw n ALA 68 N 6.22 3.65 0.00 3.66 0.00 -1.26 -0.78 120.51 132.00 2akw n ALA 68 Ca -0.02 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.24 2akw n ALA 68 Cb 0.48 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2akw n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2akw n GLY 69 N -0.57 2.32 3.85 0.00 0.00 -1.22 -3.68 105.19 105.88 2akw n GLY 69 Ca 0.23 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 2akw n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2akw s ARG 70 N 0.00 2.60 -0.08 1.61 1.70 -1.26 -5.02 118.95 118.49 2akw s ARG 70 Ca 0.00 -1.44 -0.21 0.00 -0.47 0.00 0.00 55.73 53.61 2akw s ARG 70 Cb 0.00 -2.40 -0.04 0.00 -0.57 0.00 0.00 34.95 31.94 2akw s ARG 70 CO 0.00 -0.05 0.60 0.99 -1.08 0.00 0.00 175.30 175.76 2akw s THR 71 N -2.40 5.10 0.10 4.99 2.01 -1.26 -4.56 115.64 119.61 2akw s THR 71 Ca 0.44 1.23 0.03 0.00 0.31 0.00 0.00 61.69 63.70 2akw s THR 71 Cb -0.04 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2akw s THR 71 CO 0.27 0.30 -0.09 0.68 -0.69 0.00 0.00 174.62 175.08 2akw s VAL 72 N 0.65 0.93 0.14 3.82 -7.23 0.22 -4.97 120.40 113.96 2akw s VAL 72 Ca 0.32 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 2akw s VAL 72 Cb -0.17 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2akw s VAL 72 CO 0.15 -0.65 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.63 2akw s GLU 73 N -3.13 2.24 0.03 4.82 2.02 -1.26 0.60 118.70 124.02 2akw s GLU 73 Ca 0.08 -1.09 -0.18 0.00 0.02 0.00 0.00 54.97 53.80 2akw s GLU 73 Cb -0.01 -2.31 0.03 0.00 0.10 0.00 0.00 34.13 31.95 2akw s GLU 73 CO -0.01 0.48 0.40 0.54 0.02 0.00 0.00 175.26 176.68 2akw s VAL 74 N -1.51 0.06 -0.11 2.63 0.11 -0.67 -0.56 120.40 120.33 2akw s VAL 74 Ca 0.25 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 2akw s VAL 74 Cb -0.10 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2akw s VAL 74 CO 0.16 -0.25 -0.06 -0.69 -3.33 0.00 0.00 175.10 170.93 2akw s VAL 75 N -2.19 3.72 0.01 2.04 1.01 -1.26 -0.36 120.40 123.37 2akw s VAL 75 Ca -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2akw s VAL 75 Cb -0.02 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2akw s VAL 75 CO -0.00 0.54 -0.04 -0.55 0.00 0.00 0.00 175.10 175.04 2akw s SER 76 N -0.15 0.47 0.00 3.32 0.15 0.06 -4.81 113.70 112.75 2akw s SER 76 Ca 0.02 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 56.54 2akw s SER 76 Cb -0.13 0.01 0.24 0.00 -1.71 0.00 0.00 66.02 64.43 2akw s SER 76 CO 0.03 -0.10 1.13 0.61 1.20 0.00 0.00 173.24 176.11 2akw n GLY 77 N 2.30 1.13 3.72 9.45 0.00 -1.26 -0.06 105.19 120.47 2akw n GLY 77 Ca -0.18 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2akw n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akw s ALA 78 N -1.17 3.63 0.42 4.61 0.00 -1.26 -4.93 121.76 123.06 2akw s ALA 78 Ca 0.24 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.45 2akw s ALA 78 Cb 0.14 -3.56 0.91 0.00 0.00 0.00 0.00 23.12 20.62 2akw s ALA 78 CO 0.20 -0.66 2.07 0.93 0.00 0.00 0.00 175.76 178.30 2akw h GLU 79 N 6.83 0.48 -0.00 0.00 4.39 -1.95 -2.17 114.58 122.15 2akw h GLU 79 Ca -0.42 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2akw h GLU 79 Cb 1.21 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2akw h GLU 79 CO 0.88 0.31 -0.12 0.27 -1.16 0.00 0.00 179.01 179.19 2akw n ASN 80 N -4.48 0.34 -4.61 1.42 2.04 -1.26 -4.83 115.26 103.88 2akw n ASN 80 Ca 0.03 -0.32 -0.43 0.00 -0.44 0.00 0.00 54.58 53.41 2akw n ASN 80 Cb 0.07 -0.13 -0.03 0.00 -2.53 0.00 0.00 39.78 37.16 2akw n ASN 80 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2akw s ALA 81 N -2.62 2.92 0.26 -2.53 0.00 -0.82 -4.91 121.76 114.06 2akw s ALA 81 Ca 0.25 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 2akw s ALA 81 Cb 0.20 -4.01 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 2akw s ALA 81 CO 0.50 -2.51 0.46 -0.98 0.00 0.00 0.00 175.76 173.24 2akw s ARG 82 N 5.76 1.58 0.45 0.00 1.70 -1.26 -5.00 118.95 122.19 2akw s ARG 82 Ca 0.91 -1.33 -0.12 0.00 -0.47 0.00 0.00 55.73 54.71 2akw s ARG 82 Cb -0.31 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.47 2akw s ARG 82 CO 0.35 -0.65 0.86 -1.59 -1.08 0.00 0.00 175.30 173.18 2akw s LYS 83 N -3.89 3.82 0.00 3.89 -2.85 -1.26 -4.14 119.74 115.31 2akw s LYS 83 Ca 0.24 0.64 0.00 0.00 -1.00 0.00 0.00 55.97 55.85 2akw s LYS 83 Cb -0.00 -2.29 0.00 0.00 -2.06 0.00 0.00 37.83 33.48 2akw s LYS 83 CO 0.10 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.82 2akw n GLY 84 N -1.49 0.41 3.69 0.59 0.00 -0.59 -5.04 105.19 102.77 2akw n GLY 84 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2akw n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2akw s ILE 85 N -2.13 2.41 0.04 -0.61 -4.36 -1.26 -4.28 121.20 111.00 2akw s ILE 85 Ca 0.00 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 2akw s ILE 85 Cb 0.00 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2akw s ILE 85 CO 0.00 -0.07 0.10 -0.83 0.24 0.00 0.00 174.94 174.37 2akw s GLY 86 N -3.81 2.04 0.20 6.27 0.00 -0.47 -1.78 107.32 109.77 2akw s GLY 86 Ca 0.38 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 44.20 2akw s GLY 86 CO 0.21 -0.86 0.01 -1.34 0.00 0.00 0.00 173.10 171.12 2akw s VAL 87 N -1.31 0.76 -0.42 1.40 -7.23 -0.05 -0.52 120.40 113.03 2akw s VAL 87 Ca 0.27 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 2akw s VAL 87 Cb -0.12 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.60 2akw s VAL 87 CO 0.19 -0.38 0.57 0.00 -0.31 0.00 0.00 175.10 175.16 2akw s ALA 88 N -3.60 3.39 -0.39 1.32 0.00 -1.26 -1.54 121.76 119.68 2akw s ALA 88 Ca 0.27 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 2akw s ALA 88 Cb 0.06 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2akw s ALA 88 CO 0.06 -1.63 0.28 -1.17 0.00 0.00 0.00 175.76 173.30 2akw s LEU 89 N 2.56 4.95 -0.41 0.00 0.20 0.45 -0.51 118.68 125.92 2akw s LEU 89 Ca 0.19 -0.84 -0.21 0.00 0.69 0.00 0.00 54.13 53.95 2akw s LEU 89 Cb -0.15 -2.13 0.02 0.00 -0.43 0.00 0.00 46.19 43.49 2akw s LEU 89 CO 0.16 -0.41 0.69 0.00 -0.29 0.00 0.00 176.35 176.51 2akw s ALA 90 N 1.67 3.36 0.69 5.97 0.00 -0.49 -0.07 121.76 132.88 2akw s ALA 90 Ca 0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2akw s ALA 90 Cb -0.19 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2akw s ALA 90 CO 0.09 -1.69 1.06 -0.51 0.00 0.00 0.00 175.76 174.71 2akw s LEU 91 N 2.95 3.16 0.25 0.00 1.43 -0.41 -1.94 118.68 124.13 2akw s LEU 91 Ca 0.26 1.63 -0.31 0.00 -1.03 0.00 0.00 54.13 54.68 2akw s LEU 91 Cb -0.14 -4.50 -0.13 0.00 0.03 0.00 0.00 46.19 41.46 2akw s LEU 91 CO 0.19 -1.42 1.49 -0.81 0.23 0.00 0.00 176.35 176.03 2akw n PRO 92 N -3.04 2.29 0.00 1.29 -0.04 -1.26 -1.91 135.00 132.33 2akw n PRO 92 Ca 0.08 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2akw n PRO 92 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2akw n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2akw n GLY 93 N 2.30 1.05 3.73 0.55 0.00 0.47 -4.89 105.19 108.39 2akw n GLY 93 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2akw n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akw s THR 94 N -2.17 3.80 -0.54 2.61 2.01 -0.80 -4.68 115.64 115.87 2akw s THR 94 Ca 0.00 1.41 -0.21 0.00 0.31 0.00 0.00 61.69 63.20 2akw s THR 94 Cb 0.00 -3.90 0.05 0.00 0.01 0.00 0.00 72.50 68.66 2akw s THR 94 CO 0.00 0.18 0.77 -1.61 -0.69 0.00 0.00 174.62 173.27 2akw s GLU 95 N 0.30 3.20 -0.07 4.92 0.41 -1.26 -0.87 118.70 125.33 2akw s GLU 95 Ca 0.55 -0.67 -0.11 0.00 -0.41 0.00 0.00 54.97 54.33 2akw s GLU 95 Cb -0.31 -4.10 -0.05 0.00 -1.78 0.00 0.00 34.13 27.90 2akw s GLU 95 CO 0.33 -1.37 0.27 -0.51 -0.49 0.00 0.00 175.26 173.49 2akw s LEU 96 N 3.22 4.41 0.07 1.80 1.43 -1.26 -4.71 118.68 123.63 2akw s LEU 96 Ca 0.21 0.68 -0.35 0.00 -1.03 0.00 0.00 54.13 53.64 2akw s LEU 96 Cb -0.17 -2.33 -0.18 0.00 0.03 0.00 0.00 46.19 43.54 2akw s LEU 96 CO 0.14 0.34 1.54 -0.65 0.23 0.00 0.00 176.35 177.95 2akw h PRO 97 N 5.06 -1.11 -0.73 1.29 0.11 -1.85 -2.94 132.00 131.83 2akw h PRO 97 Ca -0.52 0.08 0.16 0.00 0.11 0.00 0.00 66.00 65.83 2akw h PRO 97 Cb 1.22 0.25 -0.12 0.00 0.11 0.00 0.00 31.00 32.46 2akw h PRO 97 CO 0.62 -0.74 0.04 0.78 -0.21 0.00 0.00 178.00 178.48 2akw h GLY 98 N -1.16 0.85 1.19 -0.55 0.00 -1.79 -2.97 103.07 98.64 2akw h GLY 98 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2akw h GLY 98 CO 0.10 -0.26 -0.63 -2.00 0.00 0.00 0.00 176.54 173.74 2akw h LEU 99 N 0.13 0.00 0.00 3.11 5.85 -1.76 -3.48 115.31 119.17 2akw h LEU 99 Ca 0.40 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2akw h LEU 99 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2akw h LEU 99 CO -0.62 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 178.18 2akw n GLY 100 N 1.32 1.98 3.90 3.75 0.00 -1.13 -4.95 105.19 110.06 2akw n GLY 100 Ca 0.03 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2akw n GLY 100 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2akw s GLN 101 N 0.00 3.07 0.41 1.61 0.00 -1.26 -4.90 119.66 118.58 2akw s GLN 101 Ca 0.00 0.29 -0.22 0.00 -0.00 0.00 0.00 55.36 55.43 2akw s GLN 101 Cb 0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 33.01 30.74 2akw s GLN 101 CO 0.00 -0.74 0.96 0.21 0.00 0.00 0.00 175.29 175.71 2akw s LYS 102 N -5.12 4.29 0.31 9.60 2.20 -1.26 -4.39 119.74 125.37 2akw s LYS 102 Ca 0.55 1.19 -0.21 0.00 -0.36 0.00 0.00 55.97 57.14 2akw s LYS 102 Cb -0.11 -2.33 -0.09 0.00 -1.51 0.00 0.00 37.83 33.79 2akw s LYS 102 CO 0.49 0.02 0.83 0.08 -0.36 0.00 0.00 175.35 176.41 2akw s VAL 103 N -2.02 4.45 0.37 4.02 1.01 -0.05 -4.92 120.40 123.26 2akw s VAL 103 Ca 0.59 1.43 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 2akw s VAL 103 Cb -0.12 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2akw s VAL 103 CO 0.16 0.03 0.58 0.61 0.00 0.00 0.00 175.10 176.48 2akw n GLY 104 N 0.25 1.78 3.62 4.51 0.00 -1.26 0.18 105.19 114.27 2akw n GLY 104 Ca 0.02 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2akw n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2akw s GLU 105 N -2.62 4.01 0.05 1.61 2.12 -1.26 -3.04 118.70 119.56 2akw s GLU 105 Ca 0.26 0.70 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 2akw s GLU 105 Cb -0.02 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 2akw s GLU 105 CO 0.19 -0.68 -0.03 -0.98 -0.54 0.00 0.00 175.26 173.21 2akw s ARG 106 N 3.03 0.57 -0.21 4.30 1.70 -0.63 -4.97 118.95 122.73 2akw s ARG 106 Ca 0.34 -1.12 -0.19 0.00 -0.47 0.00 0.00 55.73 54.29 2akw s ARG 106 Cb -0.14 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 2akw s ARG 106 CO 0.12 -0.10 0.53 0.08 -1.08 0.00 0.00 175.30 174.85 2akw s VAL 107 N -3.50 5.09 -0.08 4.99 1.01 -1.26 -0.26 120.40 126.39 2akw s VAL 107 Ca 0.03 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2akw s VAL 107 Cb 0.05 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2akw s VAL 107 CO -0.08 0.15 -0.08 -0.63 0.00 0.00 0.00 175.10 174.45 2akw s ILE 108 N 1.83 0.92 -1.60 2.22 1.01 -0.23 -4.87 121.20 120.48 2akw s ILE 108 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 2akw s ILE 108 Cb -0.15 -0.90 0.05 0.00 0.01 0.00 0.00 42.46 41.46 2akw s ILE 108 CO 0.09 0.33 0.21 0.00 0.00 0.00 0.00 174.94 175.57 2akw n GLN 109 N 4.35 -1.32 0.00 2.79 1.13 -1.26 -1.20 117.38 121.87 2akw n GLN 109 Ca -0.19 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 2akw n GLN 109 Cb 0.51 -3.99 0.00 0.00 0.11 0.00 0.00 30.24 26.87 2akw n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2akw n GLY 110 N -2.17 1.72 3.30 1.08 0.00 -1.26 -5.03 105.19 102.83 2akw n GLY 110 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2akw n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2akw s VAL 111 N -2.47 1.87 -0.54 1.61 0.11 -0.34 -5.09 120.40 115.54 2akw s VAL 111 Ca 0.00 -1.36 -0.26 0.00 -2.93 0.00 0.00 61.98 57.43 2akw s VAL 111 Cb 0.00 -1.63 0.03 0.00 -1.53 0.00 0.00 36.38 33.26 2akw s VAL 111 CO 0.00 0.20 1.04 -0.13 -3.33 0.00 0.00 175.10 172.88 2akw s ARG 112 N -1.39 3.45 -0.34 1.54 0.52 -1.26 -1.06 118.95 120.40 2akw s ARG 112 Ca 0.09 0.03 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 2akw s ARG 112 Cb -0.09 -4.01 0.02 0.00 0.52 0.00 0.00 34.95 31.38 2akw s ARG 112 CO 0.03 -1.51 1.04 0.45 0.02 0.00 0.00 175.30 175.32 2akw s SER 113 N 2.78 6.85 -1.28 0.23 0.15 0.64 -4.46 113.70 118.61 2akw s SER 113 Ca 0.37 0.91 -0.12 0.00 0.70 0.00 0.00 55.95 57.80 2akw s SER 113 Cb -0.10 -2.52 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 2akw s SER 113 CO 0.23 -0.89 1.74 0.33 1.20 0.00 0.00 173.24 175.86 2akw n PHE 114 N 6.89 3.93 -2.10 3.44 7.35 0.28 -1.61 117.46 135.64 2akw n PHE 114 Ca 0.11 -3.02 0.00 0.00 -0.76 0.00 0.00 57.45 53.77 2akw n PHE 114 Cb 0.47 -2.18 0.00 0.00 0.35 0.00 0.00 39.48 38.12 2akw n PHE 114 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2akw n GLY 115 N 3.70 -0.82 3.41 7.13 0.00 -1.17 -4.49 105.19 112.93 2akw n GLY 115 Ca 0.41 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2akw n GLY 115 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2akw s MET 116 N 0.00 1.13 0.10 1.61 0.23 -0.82 -4.67 119.30 116.88 2akw s MET 116 Ca 0.00 -0.33 -0.25 0.00 -1.03 0.00 0.00 55.69 54.08 2akw s MET 116 Cb 0.00 0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 33.75 2akw s MET 116 CO 0.00 -0.44 0.75 0.00 -2.03 0.00 0.00 175.02 173.29 2akw s ALA 117 N -2.99 3.43 0.38 3.16 0.00 -1.26 -1.40 121.76 123.07 2akw s ALA 117 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2akw s ALA 117 Cb -0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2akw s ALA 117 CO -0.06 0.19 0.59 -0.51 0.00 0.00 0.00 175.76 175.97 2akw s LEU 118 N -0.62 3.91 0.35 0.00 1.43 0.34 -4.96 118.68 119.14 2akw s LEU 118 Ca 0.36 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 2akw s LEU 118 Cb -0.21 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2akw s LEU 118 CO 0.24 -0.40 0.19 -0.94 0.23 0.00 0.00 176.35 175.67 2akw s SER 119 N -4.08 4.80 0.26 2.29 1.04 -1.26 -1.63 113.70 115.12 2akw s SER 119 Ca 0.42 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 2akw s SER 119 Cb -0.10 -0.74 0.52 0.00 0.10 0.00 0.00 66.02 65.80 2akw s SER 119 CO 0.37 -0.36 1.74 -0.65 0.98 0.00 0.00 173.24 175.32 2akw h PRO 120 N 1.44 0.51 -0.37 4.02 0.11 -1.71 -0.46 132.00 135.54 2akw h PRO 120 Ca -0.44 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2akw h PRO 120 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2akw h PRO 120 CO 0.62 0.34 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.54 2akw h ARG 121 N 0.53 0.65 -0.10 1.05 2.43 0.19 0.23 114.38 119.37 2akw h ARG 121 Ca 0.45 -0.21 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 2akw h ARG 121 Cb 0.67 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2akw h ARG 121 CO -0.39 0.75 -0.88 0.93 -1.51 0.00 0.00 179.97 178.87 2akw h GLU 122 N 0.59 0.76 0.00 0.20 5.08 -1.54 -2.92 114.58 116.75 2akw h GLU 122 Ca 0.10 -0.69 -0.11 0.00 -1.00 0.00 0.00 59.36 57.67 2akw h GLU 122 Cb 0.55 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2akw h GLU 122 CO 0.03 1.28 -0.50 1.25 -1.00 0.00 0.00 179.01 180.08 2akw h LEU 123 N 0.49 0.00 -0.53 1.33 5.85 -1.06 -3.32 115.31 118.07 2akw h LEU 123 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2akw h LEU 123 Cb 1.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2akw h LEU 123 CO 0.18 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 2akw n GLY 124 N 0.24 0.98 0.00 3.75 0.00 0.60 -4.73 105.19 106.03 2akw n GLY 124 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.62 2akw n GLY 124 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2akw n VAL 125 N -1.74 0.00 -3.80 1.61 0.24 -0.02 -4.90 118.33 109.72 2akw n VAL 125 Ca 0.00 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 61.96 2akw n VAL 125 Cb 0.31 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 2akw n VAL 125 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2akw s GLY 126 N -2.55 0.04 0.36 7.63 0.00 -1.13 -4.74 107.32 106.93 2akw s GLY 126 Ca -0.01 -0.37 0.25 0.00 0.00 0.00 0.00 44.72 44.59 2akw s GLY 126 CO 0.38 -0.35 1.69 0.83 0.00 0.00 0.00 173.10 175.65 2akw h GLU 127 N 2.22 0.00 -6.60 2.90 3.07 -1.95 -2.74 114.58 111.49 2akw h GLU 127 Ca -0.28 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.06 2akw h GLU 127 Cb 1.26 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 29.21 2akw h GLU 127 CO 0.37 0.00 0.89 -0.47 -1.40 0.00 0.00 179.01 178.41 2akw s TYR 128 N -3.20 3.01 -0.03 4.33 5.04 -1.26 -4.59 117.35 120.66 2akw s TYR 128 Ca 0.08 0.59 0.06 0.00 -2.44 0.00 0.00 57.07 55.36 2akw s TYR 128 Cb 0.08 -3.94 0.10 0.00 0.35 0.00 0.00 41.96 38.55 2akw s TYR 128 CO 0.63 -3.49 1.05 0.41 -1.34 0.00 0.00 175.55 172.81 2akw n GLY 129 N 3.78 1.38 1.56 8.97 0.00 -1.26 0.33 105.19 119.94 2akw n GLY 129 Ca 0.14 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.94 2akw n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2akw n GLY 130 N -0.22 2.57 3.62 -0.02 0.00 -1.26 -4.97 105.19 104.91 2akw n GLY 130 Ca 0.04 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.33 2akw n GLY 130 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2akw s GLY 131 N -0.76 -0.47 0.66 -0.02 0.00 -1.26 -4.62 107.32 100.85 2akw s GLY 131 Ca 0.46 0.86 -0.11 0.00 0.00 0.00 0.00 44.72 45.93 2akw s GLY 131 CO 0.18 1.15 1.05 1.08 0.00 0.00 0.00 173.10 176.56 2akw s LEU 132 N -3.14 3.17 0.30 0.66 1.43 -1.26 -4.21 118.68 115.64 2akw s LEU 132 Ca 0.17 1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 2akw s LEU 132 Cb 0.07 -4.48 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 2akw s LEU 132 CO -0.06 -1.18 1.13 -0.76 0.23 0.00 0.00 176.35 175.71 2akw s LEU 133 N -5.38 4.49 -0.24 1.79 2.01 -0.65 -4.82 118.68 115.89 2akw s LEU 133 Ca 0.57 2.32 -0.02 0.00 0.01 0.00 0.00 54.13 57.01 2akw s LEU 133 Cb -0.13 -3.68 0.02 0.00 0.01 0.00 0.00 46.19 42.41 2akw s LEU 133 CO 0.55 -0.25 -0.07 -1.61 1.01 0.00 0.00 176.35 175.98 2akw s GLU 134 N -1.60 2.89 0.42 1.70 2.02 -1.26 -4.52 118.70 118.35 2akw s GLU 134 Ca 0.46 -0.94 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2akw s GLU 134 Cb -0.32 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2akw s GLU 134 CO 0.42 -0.37 0.22 -0.06 0.02 0.00 0.00 175.26 175.49 2akw s PHE 135 N 1.34 2.58 0.13 1.61 0.08 0.32 -4.65 117.98 119.37 2akw s PHE 135 Ca 0.01 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 2akw s PHE 135 Cb -0.16 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.22 2akw s PHE 135 CO -0.05 0.11 1.24 -2.14 -0.10 0.00 0.00 175.22 174.28 2akw s PRO 136 N -3.96 4.43 0.63 0.24 0.02 -1.26 -1.36 135.00 133.74 2akw s PRO 136 Ca 0.42 1.88 0.25 0.00 0.02 0.00 0.00 61.00 63.57 2akw s PRO 136 Cb 0.02 -3.28 1.26 0.00 0.02 0.00 0.00 34.50 32.52 2akw s PRO 136 CO 0.23 -0.23 1.70 1.49 -0.33 0.00 0.00 177.00 179.87 2akw h GLU 137 N 6.14 0.00 -0.28 5.54 4.81 -1.83 0.19 114.58 129.14 2akw h GLU 137 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2akw h GLU 137 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2akw h GLU 137 CO 0.79 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 2akw n ASP 138 N -3.19 2.94 -0.31 1.04 5.68 -1.26 -4.71 116.55 116.74 2akw n ASP 138 Ca 0.05 -2.18 0.15 0.00 -0.50 0.00 0.00 54.79 52.31 2akw n ASP 138 Cb 0.73 -0.25 0.33 0.00 -1.14 0.00 0.00 41.12 40.78 2akw n ASP 138 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2akw h ALA 139 N 1.68 1.43 -2.74 2.12 0.00 -0.99 -3.44 119.26 117.33 2akw h ALA 139 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2akw h ALA 139 Cb 0.82 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 2akw h ALA 139 CO 0.03 -0.46 -0.38 -0.51 0.00 0.00 0.00 179.25 177.93 2akw s LEU 140 N -10.58 0.88 -0.06 0.00 1.43 -1.26 -5.02 118.68 104.07 2akw s LEU 140 Ca -0.12 -1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 51.42 2akw s LEU 140 Cb 0.26 1.01 -0.03 0.00 0.03 0.00 0.00 46.19 47.47 2akw s LEU 140 CO 0.78 -1.02 1.13 -2.84 0.23 0.00 0.00 176.35 174.64 2akw s PRO 141 N -3.93 4.39 -0.06 1.29 0.02 -1.26 -4.92 135.00 130.52 2akw s PRO 141 Ca 0.32 1.59 -0.40 0.00 0.02 0.00 0.00 61.00 62.53 2akw s PRO 141 Cb 0.03 -3.54 -0.19 0.00 0.02 0.00 0.00 34.50 30.83 2akw s PRO 141 CO 0.13 -0.38 1.27 -2.30 -0.33 0.00 0.00 177.00 175.39 2akw n PRO 142 N 5.01 0.44 -0.01 5.54 -0.02 -1.26 -1.42 135.00 143.28 2akw n PRO 142 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2akw n PRO 142 Cb 0.47 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2akw n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2akw n GLY 143 N 2.34 0.96 3.74 -1.23 0.00 0.07 -3.45 105.19 107.62 2akw n GLY 143 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2akw n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2akw s THR 144 N -2.34 3.38 0.16 2.61 -4.23 -0.51 -4.63 115.64 110.08 2akw s THR 144 Ca 0.00 1.19 -0.34 0.00 -1.18 0.00 0.00 61.69 61.36 2akw s THR 144 Cb 0.00 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.94 2akw s THR 144 CO 0.00 0.21 1.52 -2.65 -0.54 0.00 0.00 174.62 173.15 2akw n PRO 145 N 2.23 1.98 0.05 3.99 -0.02 -1.26 -1.41 135.00 140.56 2akw n PRO 145 Ca 0.04 0.71 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2akw n PRO 145 Cb 0.44 -2.44 0.57 0.00 -0.02 0.00 0.00 33.50 32.04 2akw n PRO 145 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2akw h LEU 146 N 5.48 0.20 -0.80 2.45 5.85 -1.64 -2.18 115.31 124.67 2akw h LEU 146 Ca -0.45 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.41 2akw h LEU 146 Cb 1.27 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 2akw h LEU 146 CO 0.85 0.13 0.38 0.28 -0.34 0.00 0.00 178.44 179.74 2akw h SER 147 N 0.22 0.43 0.00 1.25 0.02 -1.81 -0.72 113.55 112.95 2akw h SER 147 Ca 0.17 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2akw h SER 147 Cb 0.38 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2akw h SER 147 CO -0.03 0.18 0.08 -0.62 -1.14 0.00 0.00 176.83 175.31 2akw n GLU 148 N -4.92 0.00 0.00 3.45 1.02 -0.82 -0.66 120.64 118.71 2akw n GLU 148 Ca 0.15 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2akw n GLU 148 Cb 0.41 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2akw n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2akw n ALA 149 N -1.21 0.67 -2.98 0.62 0.00 -0.41 -4.93 120.51 112.28 2akw n ALA 149 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 2akw n ALA 149 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 2akw n ALA 149 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2akw n TRP 150 N 0.00 -2.36 -1.38 0.00 -0.00 0.16 -4.74 117.44 109.13 2akw n TRP 150 Ca 0.00 -2.35 -0.29 0.00 -0.00 0.00 0.00 57.50 54.86 2akw n TRP 150 Cb 0.42 0.87 0.13 0.00 -0.00 0.00 0.00 31.31 32.73 2akw n TRP 150 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2akw s PRO 151 N 0.22 1.25 0.78 5.87 0.04 -1.11 -4.36 135.00 137.68 2akw s PRO 151 Ca 0.32 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 2akw s PRO 151 Cb 0.11 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.89 2akw s PRO 151 CO -0.15 -2.18 1.10 -1.21 0.04 0.00 0.00 177.00 174.59 2akw s GLU 152 N -5.09 2.15 0.07 4.56 2.02 -1.25 -4.67 118.70 116.49 2akw s GLU 152 Ca 0.63 1.21 0.03 0.00 0.02 0.00 0.00 54.97 56.86 2akw s GLU 152 Cb -0.16 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 2akw s GLU 152 CO 0.55 -1.73 -0.09 -2.00 0.02 0.00 0.00 175.26 172.02 2akw s GLU 153 N -4.86 0.72 -0.16 1.61 2.56 -1.26 -4.80 118.70 112.50 2akw s GLU 153 Ca 0.62 -1.02 -0.02 0.00 0.00 0.00 0.00 54.97 54.55 2akw s GLU 153 Cb -0.18 -0.40 -0.02 0.00 2.00 0.00 0.00 34.13 35.54 2akw s GLU 153 CO 0.56 0.06 -0.08 0.08 -0.56 0.00 0.00 175.26 175.31 2akw s VAL 154 N -2.16 3.37 -0.15 3.70 1.01 -1.26 0.16 120.40 125.08 2akw s VAL 154 Ca -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2akw s VAL 154 Cb -0.05 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2akw s VAL 154 CO -0.01 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 2akw s VAL 155 N 0.61 2.26 -0.11 2.92 1.01 0.25 -1.19 120.40 126.15 2akw s VAL 155 Ca -0.05 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 2akw s VAL 155 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2akw s VAL 155 CO 0.03 0.54 0.43 -0.76 0.00 0.00 0.00 175.10 175.33 2akw s LEU 156 N 0.84 4.29 -0.75 3.92 1.02 0.22 -1.27 118.68 126.96 2akw s LEU 156 Ca -0.06 0.76 -0.19 0.00 0.02 0.00 0.00 54.13 54.66 2akw s LEU 156 Cb -0.15 -2.61 0.11 0.00 0.02 0.00 0.00 46.19 43.56 2akw s LEU 156 CO -0.02 0.06 0.93 -0.62 0.02 0.00 0.00 176.35 176.72 2akw s ASP 157 N 0.38 6.38 -0.03 2.29 -1.08 0.33 0.13 116.67 125.08 2akw s ASP 157 Ca 0.23 -1.63 -0.15 0.00 -0.52 0.00 0.00 52.55 50.48 2akw s ASP 157 Cb -0.15 -2.36 -0.05 0.00 -1.46 0.00 0.00 42.92 38.90 2akw s ASP 157 CO 0.09 -1.14 0.41 -0.22 0.52 0.00 0.00 175.17 174.83 2akw s LEU 158 N 2.85 4.44 -0.20 -1.34 0.20 0.71 -0.48 118.68 124.86 2akw s LEU 158 Ca 0.22 0.91 -0.20 0.00 0.69 0.00 0.00 54.13 55.76 2akw s LEU 158 Cb -0.14 -2.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.01 2akw s LEU 158 CO 0.00 0.27 0.58 -0.70 -0.29 0.00 0.00 176.35 176.21 2akw s GLU 159 N -0.76 4.20 -0.38 1.98 2.12 -0.21 -0.21 118.70 125.44 2akw s GLU 159 Ca 0.23 0.52 0.02 0.00 0.36 0.00 0.00 54.97 56.11 2akw s GLU 159 Cb -0.16 -3.57 0.11 0.00 0.26 0.00 0.00 34.13 30.76 2akw s GLU 159 CO 0.12 -0.20 0.11 0.08 -0.54 0.00 0.00 175.26 174.84 2akw s VAL 160 N 1.78 2.57 0.61 3.70 1.01 -1.26 -4.00 120.40 124.81 2akw s VAL 160 Ca 0.26 -2.39 -0.19 0.00 0.00 0.00 0.00 61.98 59.66 2akw s VAL 160 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2akw s VAL 160 CO 0.10 -0.65 1.27 0.35 0.00 0.00 0.00 175.10 176.18 2akw n THR 161 N 4.20 4.39 -0.21 3.92 -2.24 -1.26 -4.88 114.28 118.20 2akw n THR 161 Ca 0.03 -0.50 0.31 0.00 -2.27 0.00 0.00 64.05 61.62 2akw n THR 161 Cb 0.41 -1.50 0.70 0.00 -2.10 0.00 0.00 70.33 67.84 2akw n THR 161 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2akw h PRO 162 N 0.85 0.00 0.00 -0.78 0.11 -1.99 -0.52 132.00 129.67 2akw h PRO 162 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2akw h PRO 162 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2akw h PRO 162 CO 0.54 0.00 -0.00 -2.95 -0.21 0.00 0.00 178.00 175.38 2akw h ASN 163 N 0.00 0.00 -2.28 -2.05 -1.07 -1.94 -3.33 115.58 104.91 2akw h ASN 163 Ca 0.47 0.00 -0.67 0.00 0.07 0.00 0.00 56.30 56.17 2akw h ASN 163 Cb 2.10 0.00 -0.37 0.00 -2.07 0.00 0.00 38.32 37.98 2akw h ASN 163 CO -0.00 0.00 -0.07 0.54 0.07 0.00 0.00 177.43 177.97 2akw n ARG 164 N -3.10 3.99 0.32 4.14 5.12 -0.20 -4.19 116.66 122.73 2akw n ARG 164 Ca 0.01 -4.80 0.19 0.00 -1.93 0.00 0.00 57.85 51.33 2akw n ARG 164 Cb 0.36 -2.32 1.05 0.00 -1.16 0.00 0.00 32.46 30.39 2akw n ARG 164 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2akw h PRO 165 N 3.43 0.00 0.00 5.56 0.13 -1.75 0.84 132.00 140.21 2akw h PRO 165 Ca 0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.38 2akw h PRO 165 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 2akw h PRO 165 CO 0.94 0.01 -0.07 0.38 -0.23 0.00 0.00 178.00 179.04 2akw h ASP 166 N 0.00 0.00 -0.03 1.44 2.03 -1.86 -2.02 116.42 115.99 2akw h ASP 166 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2akw h ASP 166 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2akw h ASP 166 CO 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 179.24 178.28 2akw n ALA 167 N -2.16 2.59 -0.15 4.15 0.00 0.29 -2.78 120.51 122.44 2akw n ALA 167 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2akw n ALA 167 Cb 0.26 -1.24 0.26 0.00 0.00 0.00 0.00 19.45 18.73 2akw n ALA 167 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2akw n LEU 168 N -0.59 3.92 -3.86 0.00 4.77 -0.76 -4.69 117.00 115.79 2akw n LEU 168 Ca 0.13 -1.99 -0.19 0.00 -0.03 0.00 0.00 56.01 53.93 2akw n LEU 168 Cb 0.10 -0.59 -0.16 0.00 -2.33 0.00 0.00 43.42 40.43 2akw n LEU 168 CO 0.10 0.51 -0.39 -0.83 -1.33 0.00 0.00 177.39 175.44 2akw s GLY 169 N -0.56 0.38 0.43 -0.72 0.00 -1.12 -3.56 107.32 102.17 2akw s GLY 169 Ca 0.35 0.02 0.11 0.00 0.00 0.00 0.00 44.72 45.20 2akw s GLY 169 CO 0.12 0.54 2.01 1.41 0.00 0.00 0.00 173.10 177.17 2akw h LEU 170 N 7.27 0.41 -0.87 0.66 4.07 -0.27 -0.41 115.31 126.17 2akw h LEU 170 Ca -0.38 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.47 2akw h LEU 170 Cb 1.14 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 2akw h LEU 170 CO 0.46 0.27 -0.50 0.25 -1.08 0.00 0.00 178.44 177.83 2akw h LEU 171 N 0.46 0.00 -0.46 1.67 6.46 -0.75 -1.23 115.31 121.47 2akw h LEU 171 Ca 0.23 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2akw h LEU 171 Cb 0.30 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 2akw h LEU 171 CO -0.06 0.50 0.06 1.23 -0.62 0.00 0.00 178.44 179.55 2akw h GLY 172 N 1.88 0.82 0.99 3.75 0.00 -1.23 -1.29 103.07 107.99 2akw h GLY 172 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2akw h GLY 172 CO 0.07 0.52 0.31 1.41 0.00 0.00 0.00 176.54 178.84 2akw h LEU 173 N 0.63 0.67 -1.17 3.11 4.07 -1.14 -2.32 115.31 119.17 2akw h LEU 173 Ca 0.14 -0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.15 2akw h LEU 173 Cb 0.41 -0.17 -0.08 0.00 1.08 0.00 0.00 40.66 41.90 2akw h LEU 173 CO 0.01 0.56 0.60 0.00 -1.08 0.00 0.00 178.44 178.53 2akw h ALA 174 N 1.14 1.70 -0.40 1.53 0.00 -0.72 -1.44 119.26 121.07 2akw h ALA 174 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2akw h ALA 174 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2akw h ALA 174 CO -0.03 0.05 0.04 -0.09 0.00 0.00 0.00 179.25 179.22 2akw h ARG 175 N 0.82 0.67 -0.82 0.00 2.43 -0.68 -0.38 114.38 116.42 2akw h ARG 175 Ca 0.47 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2akw h ARG 175 Cb 0.63 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2akw h ARG 175 CO -0.23 0.74 0.54 -0.44 -1.51 0.00 0.00 179.97 179.06 2akw h ASP 176 N 0.51 0.91 -0.08 -3.80 5.19 -1.10 -0.60 116.42 117.46 2akw h ASP 176 Ca 0.12 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2akw h ASP 176 Cb 0.40 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2akw h ASP 176 CO 0.01 0.65 -0.12 -0.07 -3.12 0.00 0.00 179.24 176.58 2akw h LEU 177 N 1.07 0.39 -0.53 1.55 3.38 -1.10 -2.19 115.31 117.88 2akw h LEU 177 Ca 0.31 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2akw h LEU 177 Cb -0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2akw h LEU 177 CO -0.09 0.55 0.16 -0.74 0.09 0.00 0.00 178.44 178.41 2akw h HIS 178 N 0.38 0.85 -0.26 1.13 2.76 0.21 -2.03 115.15 118.19 2akw h HIS 178 Ca 0.07 -0.09 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 2akw h HIS 178 Cb 0.45 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2akw h HIS 178 CO 0.01 0.73 0.20 0.00 -1.30 0.00 0.00 177.93 177.58 2akw h ALA 179 N 1.03 2.17 0.00 5.26 0.00 -0.52 0.52 119.26 127.72 2akw h ALA 179 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2akw h ALA 179 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2akw h ALA 179 CO -0.00 -0.34 0.00 -0.07 0.00 0.00 0.00 179.25 178.84 2akw h LEU 180 N 0.00 0.00 0.00 0.00 4.07 -1.16 -3.47 115.31 114.75 2akw h LEU 180 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2akw h LEU 180 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2akw h LEU 180 CO -0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2akw n GLY 181 N 0.52 1.02 3.78 0.83 0.00 0.18 -5.12 105.19 106.39 2akw n GLY 181 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2akw n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2akw s TYR 182 N -1.20 3.06 0.38 1.61 1.51 -1.07 -4.98 117.35 116.66 2akw s TYR 182 Ca 0.00 1.58 -0.26 0.00 -1.01 0.00 0.00 57.07 57.38 2akw s TYR 182 Cb 0.00 -3.27 -0.09 0.00 -0.11 0.00 0.00 41.96 38.49 2akw s TYR 182 CO 0.00 -1.10 1.23 0.00 -1.11 0.00 0.00 175.55 174.57 2akw s ALA 183 N -1.59 3.27 -0.14 3.71 0.00 -1.26 -4.21 121.76 121.54 2akw s ALA 183 Ca 0.61 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.67 2akw s ALA 183 Cb -0.26 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2akw s ALA 183 CO 0.32 -0.62 -0.13 -1.17 0.00 0.00 0.00 175.76 174.15 2akw s LEU 184 N -2.27 2.68 -0.26 0.00 1.98 -1.26 -4.40 118.68 115.15 2akw s LEU 184 Ca 0.55 -0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 51.39 2akw s LEU 184 Cb -0.35 -1.60 0.02 0.00 0.66 0.00 0.00 46.19 44.91 2akw s LEU 184 CO 0.45 0.15 -0.00 -0.69 -1.89 0.00 0.00 176.35 174.36 2akw s VAL 185 N 0.44 3.35 -0.17 1.68 1.01 0.24 -5.02 120.40 121.94 2akw s VAL 185 Ca -0.10 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2akw s VAL 185 Cb -0.16 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2akw s VAL 185 CO 0.05 0.18 0.13 -1.61 0.00 0.00 0.00 175.10 173.84 2akw s GLU 186 N 1.41 3.88 0.35 2.72 2.02 -1.26 -4.37 118.70 123.44 2akw s GLU 186 Ca 0.02 -0.19 -0.28 0.00 0.02 0.00 0.00 54.97 54.53 2akw s GLU 186 Cb -0.17 -3.31 -0.11 0.00 0.10 0.00 0.00 34.13 30.64 2akw s GLU 186 CO -0.02 0.49 1.37 -1.25 0.02 0.00 0.00 175.26 175.87 2akw s PRO 187 N -0.18 4.26 -0.23 0.39 0.04 -1.26 -4.99 135.00 133.03 2akw s PRO 187 Ca 0.10 2.35 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 2akw s PRO 187 Cb -0.11 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2akw s PRO 187 CO 0.00 -0.32 0.33 -1.83 0.04 0.00 0.00 177.00 175.23 2akw s GLU 188 N -1.89 4.11 -1.29 4.56 -1.05 -1.26 -5.00 118.70 116.88 2akw s GLU 188 Ca 0.50 0.04 -0.15 0.00 -0.15 0.00 0.00 54.97 55.21 2akw s GLU 188 Cb -0.42 -3.57 0.11 0.00 -0.44 0.00 0.00 34.13 29.81 2akw s GLU 188 CO 0.57 -0.08 1.71 0.00 0.95 0.00 0.00 175.26 178.41 2akw n ALA 189 N 4.66 4.08 -2.08 -0.84 0.00 -1.26 -4.94 120.51 120.12 2akw n ALA 189 Ca -0.10 -4.03 -0.39 0.00 0.00 0.00 0.00 53.44 48.91 2akw n ALA 189 Cb 0.51 -3.35 -0.03 0.00 0.00 0.00 0.00 19.45 16.58 2akw n ALA 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2akw s ALA 190 N 2.82 2.30 -0.01 0.00 0.00 -1.26 -4.90 121.76 120.72 2akw s ALA 190 Ca 0.48 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.90 2akw s ALA 190 Cb 0.03 -4.26 -0.03 0.00 0.00 0.00 0.00 23.12 18.86 2akw s ALA 190 CO 0.03 -3.69 -0.15 -1.17 0.00 0.00 0.00 175.76 170.78 2akw s LEU 191 N 8.54 2.72 -0.68 0.00 0.20 -1.26 -4.74 118.68 123.47 2akw s LEU 191 Ca 0.66 -0.28 0.05 0.00 0.69 0.00 0.00 54.13 55.25 2akw s LEU 191 Cb -0.13 -1.57 0.16 0.00 -0.43 0.00 0.00 46.19 44.22 2akw s LEU 191 CO 0.22 0.30 0.46 -0.75 -0.29 0.00 0.00 176.35 176.29 2akw s LYS 192 N -1.09 2.37 0.82 1.98 2.20 -1.26 -5.09 119.74 119.66 2akw s LYS 192 Ca 0.13 -3.23 -0.12 0.00 -0.36 0.00 0.00 55.97 52.39 2akw s LYS 192 Cb -0.11 -3.36 0.08 0.00 -1.51 0.00 0.00 37.83 32.93 2akw s LYS 192 CO 0.03 -1.27 1.13 0.00 -0.36 0.00 0.00 175.35 174.89 2akw s ALA 193 N -1.29 2.34 -0.09 3.13 0.00 -1.26 -4.47 121.76 120.13 2akw s ALA 193 Ca 0.24 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2akw s ALA 193 Cb -0.07 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2akw s ALA 193 CO -0.15 -1.76 -0.05 -1.21 0.00 0.00 0.00 175.76 172.58 2akw s GLU 194 N -5.34 1.20 -0.51 0.00 2.02 0.10 -4.83 118.70 111.34 2akw s GLU 194 Ca 0.61 -0.15 -0.27 0.00 0.02 0.00 0.00 54.97 55.18 2akw s GLU 194 Cb -0.13 -1.32 -0.01 0.00 0.10 0.00 0.00 34.13 32.77 2akw s GLU 194 CO 0.52 -0.23 1.75 0.00 0.02 0.00 0.00 175.26 177.32 2akw s ALA 195 N 1.61 2.53 0.06 5.21 0.00 -1.26 -1.41 121.76 128.49 2akw s ALA 195 Ca 0.02 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 2akw s ALA 195 Cb -0.13 -4.17 0.07 0.00 0.00 0.00 0.00 23.12 18.90 2akw s ALA 195 CO -0.05 -3.28 0.67 -0.48 0.00 0.00 0.00 175.76 172.61 2akw s LEU 196 N 7.77 -0.58 0.43 0.00 0.05 -1.26 -4.98 118.68 120.11 2akw s LEU 196 Ca 0.69 0.28 -0.24 0.00 0.05 0.00 0.00 54.13 54.91 2akw s LEU 196 Cb -0.15 2.50 -0.08 0.00 -2.05 0.00 0.00 46.19 46.41 2akw s LEU 196 CO 0.26 -0.78 1.14 -2.16 -0.55 0.00 0.00 176.35 174.25 2akw s PRO 197 N -2.65 3.91 -0.20 1.48 0.04 -1.26 -4.66 135.00 131.66 2akw s PRO 197 Ca -0.03 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2akw s PRO 197 Cb -0.01 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 32.05 2akw s PRO 197 CO -0.04 -0.41 0.97 -0.51 0.04 0.00 0.00 177.00 177.06 2akw s LEU 198 N -2.85 4.14 0.00 -3.56 1.43 -1.26 -4.92 118.68 111.66 2akw s LEU 198 Ca 0.61 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2akw s LEU 198 Cb -0.27 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2akw s LEU 198 CO 0.33 -0.56 1.18 -0.81 0.23 0.00 0.00 176.35 176.72 2akw n PRO 199 N 5.85 0.58 -3.59 1.29 -0.04 -1.26 -4.73 135.00 133.11 2akw n PRO 199 Ca 0.09 -0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 2akw n PRO 199 Cb 0.47 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2akw n PRO 199 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2akw s PHE 200 N 1.22 -0.17 0.34 0.54 -0.12 -1.26 -4.92 117.98 113.61 2akw s PHE 200 Ca 0.06 0.07 0.09 0.00 -0.05 0.00 0.00 56.93 57.10 2akw s PHE 200 Cb 0.03 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 2akw s PHE 200 CO 0.00 -0.37 0.03 0.00 -0.05 0.00 0.00 175.22 174.83 2akw s ALA 201 N -2.70 3.25 -0.09 1.99 0.00 -0.41 -4.95 121.76 118.85 2akw s ALA 201 Ca 0.09 -1.96 0.03 0.00 0.00 0.00 0.00 51.96 50.12 2akw s ALA 201 Cb -0.00 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2akw s ALA 201 CO -0.05 0.05 -0.20 -1.17 0.00 0.00 0.00 175.76 174.39 2akw s LEU 202 N -3.74 1.94 -0.30 0.00 2.96 -1.26 -0.55 118.68 117.74 2akw s LEU 202 Ca 0.35 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2akw s LEU 202 Cb 0.00 -1.22 0.10 0.00 0.50 0.00 0.00 46.19 45.57 2akw s LEU 202 CO 0.20 0.11 0.11 -0.75 -1.32 0.00 0.00 176.35 174.70 2akw s LYS 203 N 0.49 0.46 -0.76 1.98 2.20 -0.62 -4.99 119.74 118.50 2akw s LYS 203 Ca -0.16 -0.81 -0.20 0.00 -0.36 0.00 0.00 55.97 54.44 2akw s LYS 203 Cb -0.17 -1.59 0.11 0.00 -1.51 0.00 0.00 37.83 34.66 2akw s LYS 203 CO 0.06 -1.00 0.97 0.08 -0.36 0.00 0.00 175.35 175.10 2akw s VAL 204 N 1.85 4.64 -1.12 4.02 1.01 -1.26 -1.79 120.40 127.74 2akw s VAL 204 Ca 0.09 -1.05 0.25 0.00 0.00 0.00 0.00 61.98 61.27 2akw s VAL 204 Cb -0.17 -4.67 0.27 0.00 0.00 0.00 0.00 36.38 31.81 2akw s VAL 204 CO -0.31 -1.39 1.81 -0.62 0.00 0.00 0.00 175.10 174.59 2akw n GLU 205 N 6.82 0.10 -3.35 2.72 1.02 -0.36 -4.32 120.64 123.27 2akw n GLU 205 Ca 0.06 0.07 -0.26 0.00 -0.02 0.00 0.00 57.16 57.01 2akw n GLU 205 Cb 0.46 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.29 2akw n GLU 205 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2akw n ASP 206 N -1.44 -0.30 0.16 1.62 -0.08 -1.03 -4.95 116.55 110.53 2akw n ASP 206 Ca 0.08 -2.45 0.12 0.00 -1.51 0.00 0.00 54.79 51.02 2akw n ASP 206 Cb 0.26 -0.57 0.59 0.00 2.34 0.00 0.00 41.12 43.74 2akw n ASP 206 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2akw h PRO 207 N 5.29 0.00 0.22 -0.67 0.13 -1.82 -1.76 132.00 133.39 2akw h PRO 207 Ca 0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.35 2akw h PRO 207 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2akw h PRO 207 CO 0.39 0.00 -0.11 1.49 -0.23 0.00 0.00 178.00 179.55 2akw h GLU 208 N 0.00 -0.29 -0.06 0.86 4.57 -1.97 -2.58 114.58 115.12 2akw h GLU 208 Ca 0.00 0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.01 2akw h GLU 208 Cb 0.11 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2akw h GLU 208 CO 0.00 -0.01 -0.79 0.78 -1.18 0.00 0.00 179.01 177.82 2akw h GLY 209 N -0.57 0.44 -6.05 1.92 0.00 -1.84 -3.37 103.07 93.60 2akw h GLY 209 Ca -0.03 -0.67 -0.64 0.00 0.00 0.00 0.00 47.33 46.00 2akw h GLY 209 CO 0.05 0.59 -0.34 0.00 0.00 0.00 0.00 176.54 176.84 2akw n ALA 210 N -2.52 4.49 -0.34 3.60 0.00 -0.71 -0.37 120.51 124.67 2akw n ALA 210 Ca -0.05 -4.76 0.18 0.00 0.00 0.00 0.00 53.44 48.82 2akw n ALA 210 Cb 0.74 -1.11 0.40 0.00 0.00 0.00 0.00 19.45 19.49 2akw n ALA 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2akw h PRO 211 N 4.02 0.55 -3.36 0.00 0.11 -1.45 -3.38 132.00 128.49 2akw h PRO 211 Ca 0.20 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.89 2akw h PRO 211 Cb 0.59 -0.12 -0.39 0.00 0.11 0.00 0.00 31.00 31.19 2akw h PRO 211 CO 0.92 0.36 -0.75 -1.58 -0.21 0.00 0.00 178.00 176.74 2akw s HIS 212 N -5.73 0.20 -0.09 0.65 5.65 -1.22 -4.27 115.29 110.48 2akw s HIS 212 Ca -0.10 0.12 -0.03 0.00 0.25 0.00 0.00 55.06 55.30 2akw s HIS 212 Cb 0.27 -0.56 0.04 0.00 -1.18 0.00 0.00 32.58 31.14 2akw s HIS 212 CO 0.80 -0.25 0.05 0.12 -0.65 0.00 0.00 174.74 174.81 2akw s PHE 213 N 2.13 0.29 0.27 3.88 2.19 -0.00 -0.80 117.98 125.94 2akw s PHE 213 Ca 0.05 -0.06 0.10 0.00 0.33 0.00 0.00 56.93 57.35 2akw s PHE 213 Cb -0.12 -0.64 -0.05 0.00 -1.31 0.00 0.00 43.02 40.90 2akw s PHE 213 CO -0.04 -0.33 -0.07 0.95 1.83 0.00 0.00 175.22 177.56 2akw s THR 214 N 2.10 3.13 -0.03 0.12 -4.23 -0.62 -1.50 115.64 114.61 2akw s THR 214 Ca 0.04 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2akw s THR 214 Cb -0.13 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.06 2akw s THR 214 CO -0.05 -0.38 -0.01 -0.76 -0.54 0.00 0.00 174.62 172.88 2akw s LEU 215 N -3.60 1.31 0.22 4.79 1.43 0.45 -2.69 118.68 120.59 2akw s LEU 215 Ca 0.31 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2akw s LEU 215 Cb -0.06 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 2akw s LEU 215 CO 0.18 -0.07 0.17 -0.83 0.23 0.00 0.00 176.35 176.02 2akw s GLY 216 N 0.85 1.52 -0.16 -3.19 0.00 -0.40 -1.61 107.32 104.32 2akw s GLY 216 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2akw s GLY 216 CO -0.01 -1.40 -0.10 -0.47 0.00 0.00 0.00 173.10 171.12 2akw s TYR 217 N -2.02 2.01 -0.08 1.90 5.04 -1.26 -0.34 117.35 122.59 2akw s TYR 217 Ca 0.32 -1.22 0.02 0.00 -2.44 0.00 0.00 57.07 53.75 2akw s TYR 217 Cb -0.08 -1.47 0.01 0.00 0.35 0.00 0.00 41.96 40.77 2akw s TYR 217 CO 0.24 -0.65 -0.12 0.00 -1.34 0.00 0.00 175.55 173.68 2akw s ALA 218 N 1.54 1.32 0.38 3.97 0.00 -1.19 -1.85 121.76 125.92 2akw s ALA 218 Ca 0.02 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.56 2akw s ALA 218 Cb -0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2akw s ALA 218 CO -0.09 0.03 0.17 -0.59 0.00 0.00 0.00 175.76 175.28 2akw s PHE 219 N 0.83 1.76 -1.14 0.00 -0.71 -0.52 -0.85 117.98 117.35 2akw s PHE 219 Ca -0.11 -1.40 -0.00 0.00 -1.04 0.00 0.00 56.93 54.38 2akw s PHE 219 Cb -0.15 -1.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.65 2akw s PHE 219 CO 0.02 -0.48 0.02 0.41 -1.34 0.00 0.00 175.22 173.84 2akw n GLY 220 N -0.81 -0.18 3.74 1.99 0.00 -0.30 -1.16 105.19 108.47 2akw n GLY 220 Ca -0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2akw n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2akw s LEU 221 N -3.87 4.47 -0.74 0.99 1.43 0.43 -4.48 118.68 116.91 2akw s LEU 221 Ca 0.01 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 2akw s LEU 221 Cb -0.00 -3.61 0.21 0.00 0.03 0.00 0.00 46.19 42.82 2akw s LEU 221 CO 0.01 -0.32 0.68 -1.14 0.23 0.00 0.00 176.35 175.81 2akw n ARG 222 N 2.20 2.34 -1.72 1.70 3.00 -0.75 -4.57 116.66 118.87 2akw n ARG 222 Ca 0.03 -4.56 -0.43 0.00 -0.00 0.00 0.00 57.85 52.89 2akw n ARG 222 Cb 0.45 -2.31 -0.02 0.00 0.00 0.00 0.00 32.46 30.58 2akw n ARG 222 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2akw n VAL 223 N 1.59 1.05 -3.91 5.15 0.31 -1.26 -4.74 118.33 116.52 2akw n VAL 223 Ca 0.24 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.29 2akw n VAL 223 Cb 0.37 -1.77 0.02 0.00 -0.91 0.00 0.00 33.84 31.55 2akw n VAL 223 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2akw s ALA 224 N -0.08 -1.79 0.82 3.52 0.00 -1.26 -4.87 121.76 118.09 2akw s ALA 224 Ca 0.65 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 2akw s ALA 224 Cb -0.55 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.45 2akw s ALA 224 CO 0.50 -1.08 1.19 -2.14 0.00 0.00 0.00 175.76 174.22 2akw s PRO 225 N -2.13 1.59 0.51 0.00 0.02 -1.26 0.15 135.00 133.88 2akw s PRO 225 Ca 0.24 1.68 -0.10 0.00 0.02 0.00 0.00 61.00 62.84 2akw s PRO 225 Cb -0.02 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 2akw s PRO 225 CO 0.04 -2.23 0.88 -1.12 -0.33 0.00 0.00 177.00 174.23 2akw s SER 226 N -2.31 6.37 0.86 2.53 0.01 -1.26 -4.39 113.70 115.50 2akw s SER 226 Ca 0.71 1.21 -0.12 0.00 1.31 0.00 0.00 55.95 59.06 2akw s SER 226 Cb -0.27 -2.37 0.11 0.00 0.21 0.00 0.00 66.02 63.71 2akw s SER 226 CO 0.52 -0.62 1.18 -2.65 0.41 0.00 0.00 173.24 172.08 2akw n PRO 227 N -2.07 -0.11 -0.37 12.44 -0.02 -1.26 -4.37 135.00 139.24 2akw n PRO 227 Ca 0.03 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2akw n PRO 227 Cb 0.54 -2.41 0.17 0.00 -0.02 0.00 0.00 33.50 31.78 2akw n PRO 227 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2akw h LEU 228 N -1.36 1.04 -1.41 2.45 3.38 -1.95 -2.16 115.31 115.30 2akw h LEU 228 Ca -0.45 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2akw h LEU 228 Cb 1.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2akw h LEU 228 CO 0.44 0.66 0.32 4.11 0.09 0.00 0.00 178.44 184.06 2akw h TRP 229 N 1.18 0.69 -0.12 1.13 5.08 -1.90 -0.92 115.95 121.10 2akw h TRP 229 Ca 0.43 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.25 2akw h TRP 229 Cb 0.17 -0.23 0.01 0.00 -3.00 0.00 0.00 29.16 26.10 2akw h TRP 229 CO -0.00 0.47 -0.53 1.98 -1.28 0.00 0.00 178.44 179.08 2akw h MET 230 N 0.73 0.56 -0.33 0.12 4.05 -1.75 -1.78 114.93 116.54 2akw h MET 230 Ca 0.19 -0.45 0.01 0.00 -0.28 0.00 0.00 59.70 59.17 2akw h MET 230 Cb -0.02 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2akw h MET 230 CO -0.04 1.08 0.21 1.96 0.23 0.00 0.00 176.91 180.35 2akw h GLN 231 N 0.19 0.42 -0.17 0.39 4.20 -1.15 0.30 115.11 119.28 2akw h GLN 231 Ca -0.03 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.70 2akw h GLN 231 Cb 1.17 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 2akw h GLN 231 CO 0.11 0.28 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.34 2akw h ARG 232 N 0.43 -0.11 0.11 1.46 2.43 -1.19 0.18 114.38 117.69 2akw h ARG 232 Ca 0.13 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2akw h ARG 232 Cb -0.03 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2akw h ARG 232 CO -0.04 -0.07 -0.18 0.00 -1.51 0.00 0.00 179.97 178.17 2akw h ALA 233 N 1.01 -0.30 -0.69 2.80 0.00 -0.77 -0.80 119.26 120.51 2akw h ALA 233 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2akw h ALA 233 Cb 0.27 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2akw h ALA 233 CO -0.25 -0.70 0.44 -0.07 0.00 0.00 0.00 179.25 178.68 2akw h LEU 234 N -0.35 0.75 -0.31 0.00 3.38 -0.07 -2.00 115.31 116.72 2akw h LEU 234 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2akw h LEU 234 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2akw h LEU 234 CO -0.09 0.53 0.17 -0.26 0.09 0.00 0.00 178.44 178.88 2akw h PHE 235 N 0.89 0.43 -0.25 1.13 0.04 -0.40 -0.72 116.94 118.07 2akw h PHE 235 Ca 0.26 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.07 2akw h PHE 235 Cb -0.05 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 2akw h PHE 235 CO -0.03 0.36 0.17 0.00 -0.60 0.00 0.00 178.31 178.21 2akw h ALA 236 N 1.03 2.07 -0.24 2.45 0.00 -0.85 -0.99 119.26 122.74 2akw h ALA 236 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2akw h ALA 236 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2akw h ALA 236 CO -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2akw n ALA 237 N -2.55 2.52 -0.36 0.00 0.00 -0.78 -4.78 120.51 114.55 2akw n ALA 237 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2akw n ALA 237 Cb 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2akw n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2akw n GLY 238 N 0.81 1.17 3.92 0.00 0.00 -0.38 -4.70 105.19 106.02 2akw n GLY 238 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2akw n GLY 238 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2akw s MET 239 N -0.41 3.00 -0.16 1.61 -1.94 -0.34 -4.99 119.30 116.07 2akw s MET 239 Ca 0.00 -1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 52.89 2akw s MET 239 Cb 0.00 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 34.15 2akw s MET 239 CO 0.00 0.16 -0.13 0.50 -0.01 0.00 0.00 175.02 175.54 2akw s ARG 240 N -4.05 3.29 0.46 2.03 3.52 -1.26 -2.93 118.95 120.01 2akw s ARG 240 Ca 0.41 -0.71 -0.25 0.00 -0.13 0.00 0.00 55.73 55.05 2akw s ARG 240 Cb -0.08 -2.70 -0.08 0.00 -1.56 0.00 0.00 34.95 30.53 2akw s ARG 240 CO 0.29 0.03 1.38 -1.25 -0.81 0.00 0.00 175.30 174.94 2akw s PRO 241 N 0.81 3.66 -0.02 5.12 0.04 -1.26 -4.94 135.00 138.41 2akw s PRO 241 Ca -0.04 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 2akw s PRO 241 Cb -0.15 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 2akw s PRO 241 CO 0.00 -0.80 -0.06 -0.89 0.04 0.00 0.00 177.00 175.30 2akw n ILE 242 N -0.27 0.48 0.00 0.56 2.08 -1.26 -5.06 119.36 115.89 2akw n ILE 242 Ca 0.06 0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.39 2akw n ILE 242 Cb 0.43 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 2akw n ILE 242 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2akw n ASN 243 N -3.31 0.00 0.00 4.38 0.23 -1.26 -4.89 115.26 110.41 2akw n ASN 243 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 2akw n ASN 243 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2akw n ASN 243 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2akw n ASN 244 N 0.00 0.00 0.24 0.53 3.02 0.39 -0.32 115.26 119.12 2akw n ASN 244 Ca 0.00 0.03 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 2akw n ASN 244 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2akw n ASN 244 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2akw h VAL 245 N 0.00 0.58 -0.86 2.41 2.07 -1.94 -1.25 116.25 117.27 2akw h VAL 245 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2akw h VAL 245 Cb 0.00 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2akw h VAL 245 CO 0.00 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.70 2akw h VAL 246 N -0.56 1.03 -0.42 2.57 2.07 -1.85 -2.11 116.25 116.98 2akw h VAL 246 Ca -0.05 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2akw h VAL 246 Cb 0.44 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2akw h VAL 246 CO 0.09 0.18 0.14 0.44 0.02 0.00 0.00 177.57 178.43 2akw h ASP 247 N 0.96 0.61 -1.00 0.57 5.19 -0.54 -2.58 116.42 119.61 2akw h ASP 247 Ca 0.38 -0.20 0.10 0.00 -0.62 0.00 0.00 57.03 56.69 2akw h ASP 247 Cb 0.18 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 39.46 2akw h ASP 247 CO -0.18 0.65 0.64 0.58 -3.12 0.00 0.00 179.24 177.80 2akw h VAL 248 N 0.53 0.97 -0.01 -1.35 2.07 -0.59 1.00 116.25 118.87 2akw h VAL 248 Ca 0.14 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 2akw h VAL 248 Cb 0.25 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2akw h VAL 248 CO -0.01 0.19 -0.47 0.71 0.02 0.00 0.00 177.57 178.02 2akw h THR 249 N 1.05 1.34 0.13 2.57 1.35 -1.07 -1.37 112.91 116.91 2akw h THR 249 Ca 0.48 -1.62 -0.30 0.00 -0.55 0.00 0.00 66.41 64.42 2akw h THR 249 Cb 0.40 1.86 0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2akw h THR 249 CO -0.24 0.47 -1.26 0.78 -0.25 0.00 0.00 175.52 175.02 2akw h ASN 250 N 0.03 0.83 0.03 5.36 2.35 -0.91 -2.45 115.58 120.82 2akw h ASN 250 Ca -0.00 -0.78 0.01 0.00 -0.55 0.00 0.00 56.30 54.98 2akw h ASN 250 Cb 0.84 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2akw h ASN 250 CO 0.06 1.59 -0.11 0.22 -1.65 0.00 0.00 177.43 177.54 2akw h TYR 251 N 0.25 -0.29 -0.64 1.19 3.20 -0.69 0.16 116.97 120.15 2akw h TYR 251 Ca -0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.63 2akw h TYR 251 Cb 1.93 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 40.30 2akw h TYR 251 CO 0.11 -0.17 0.16 0.28 -1.64 0.00 0.00 178.16 176.90 2akw h VAL 252 N -0.21 1.25 -0.06 1.81 2.07 -1.34 0.42 116.25 120.19 2akw h VAL 252 Ca 0.03 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2akw h VAL 252 Cb 0.25 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2akw h VAL 252 CO -0.09 0.34 0.04 -0.03 0.02 0.00 0.00 177.57 177.85 2akw h MET 253 N 0.96 0.08 0.00 1.57 1.85 -1.03 -0.49 114.93 117.88 2akw h MET 253 Ca 0.21 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.27 2akw h MET 253 Cb 0.33 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.34 2akw h MET 253 CO -0.00 0.09 -0.10 -0.07 -0.40 0.00 0.00 176.91 176.44 2akw h LEU 254 N 0.05 0.00 0.22 3.39 3.38 -0.29 -1.56 115.31 120.50 2akw h LEU 254 Ca 0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.66 2akw h LEU 254 Cb 0.03 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.82 2akw h LEU 254 CO -0.00 0.10 -1.42 -0.08 0.09 0.00 0.00 178.44 177.12 2akw h GLU 255 N 0.00 0.55 -0.49 1.13 4.81 -0.10 -0.76 114.58 119.71 2akw h GLU 255 Ca -0.00 -0.88 -0.29 0.00 -0.13 0.00 0.00 59.36 58.05 2akw h GLU 255 Cb 0.33 0.32 -0.41 0.00 0.63 0.00 0.00 28.75 29.62 2akw h GLU 255 CO 0.01 1.42 -1.07 2.89 -0.73 0.00 0.00 179.01 181.53 2akw n ARG 256 N -3.72 2.05 -4.19 1.92 1.85 -0.27 -0.07 116.66 114.24 2akw n ARG 256 Ca -0.16 -3.62 -0.34 0.00 -1.00 0.00 0.00 57.85 52.73 2akw n ARG 256 Cb 1.08 -1.72 -0.06 0.00 -1.05 0.00 0.00 32.46 30.70 2akw n ARG 256 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2akw n ALA 257 N -0.61 -2.13 -3.40 2.89 0.00 -0.60 -4.84 120.51 111.82 2akw n ALA 257 Ca 0.13 -0.45 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 2akw n ALA 257 Cb 0.83 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 2akw n ALA 257 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2akw s GLN 258 N -7.24 0.68 0.39 0.00 2.00 -1.20 -4.65 119.66 109.64 2akw s GLN 258 Ca 0.14 -1.49 -0.27 0.00 -2.00 0.00 0.00 55.36 51.74 2akw s GLN 258 Cb -0.08 -1.20 -0.11 0.00 0.80 0.00 0.00 33.01 32.42 2akw s GLN 258 CO 0.95 -1.27 1.37 -2.30 -0.50 0.00 0.00 175.29 173.54 2akw n PRO 259 N 3.67 2.29 -3.78 1.67 -0.02 -1.26 -3.98 135.00 133.59 2akw n PRO 259 Ca 0.18 0.81 -0.11 0.00 -2.02 0.00 0.00 63.50 62.35 2akw n PRO 259 Cb 0.42 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 2akw n PRO 259 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2akw s MET 260 N -2.11 0.79 -0.06 -0.52 0.23 -1.26 -4.48 119.30 111.89 2akw s MET 260 Ca 0.57 -0.56 -0.04 0.00 -1.03 0.00 0.00 55.69 54.63 2akw s MET 260 Cb -0.51 0.34 0.03 0.00 -1.53 0.00 0.00 34.83 33.16 2akw s MET 260 CO 0.61 -0.25 0.15 -1.58 -2.03 0.00 0.00 175.02 171.92 2akw s HIS 261 N -2.64 -0.16 -0.27 3.16 2.46 -0.91 -4.81 115.29 112.11 2akw s HIS 261 Ca -0.04 0.44 -0.15 0.00 0.47 0.00 0.00 55.06 55.77 2akw s HIS 261 Cb -0.01 -0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.40 2akw s HIS 261 CO -0.04 -0.12 0.37 0.00 -2.47 0.00 0.00 174.74 172.48 2akw s ALA 262 N 0.62 3.56 -0.16 1.58 0.00 -1.26 -1.22 121.76 124.87 2akw s ALA 262 Ca -0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2akw s ALA 262 Cb -0.06 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 2akw s ALA 262 CO -0.03 -0.69 0.23 -0.06 0.00 0.00 0.00 175.76 175.21 2akw s PHE 263 N 2.07 3.48 -0.03 0.00 0.08 -0.46 -4.21 117.98 118.91 2akw s PHE 263 Ca 0.15 0.52 -0.30 0.00 0.12 0.00 0.00 56.93 57.42 2akw s PHE 263 Cb -0.16 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 2akw s PHE 263 CO 0.10 0.35 1.46 0.34 -0.10 0.00 0.00 175.22 177.37 2akw s ASP 264 N 0.14 6.80 0.46 1.36 -1.08 -0.74 -1.22 116.67 122.39 2akw s ASP 264 Ca 0.14 2.10 0.29 0.00 -0.52 0.00 0.00 52.55 54.56 2akw s ASP 264 Cb -0.12 -2.55 1.59 0.00 -1.46 0.00 0.00 42.92 40.38 2akw s ASP 264 CO 0.03 -0.79 1.89 -0.07 0.52 0.00 0.00 175.17 176.75 2akw h LEU 265 N 9.04 0.00 -1.43 -1.34 3.38 -1.71 -2.08 115.31 121.16 2akw h LEU 265 Ca -0.37 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.70 2akw h LEU 265 Cb 1.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2akw h LEU 265 CO 0.93 0.00 0.49 0.03 0.09 0.00 0.00 178.44 179.97 2akw h ARG 266 N 0.00 0.62 -0.01 1.13 3.08 -1.89 -2.54 114.38 114.76 2akw h ARG 266 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2akw h ARG 266 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2akw h ARG 266 CO 0.00 0.41 -0.65 1.19 -1.07 0.00 0.00 179.97 179.84 2akw n PHE 267 N -4.50 0.00 -0.06 3.04 3.72 -0.78 -4.47 117.46 114.40 2akw n PHE 267 Ca 0.12 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.40 2akw n PHE 267 Cb 0.34 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.86 2akw n PHE 267 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2akw h VAL 268 N 1.36 1.29 0.00 -4.37 2.07 -1.51 -3.46 116.25 111.62 2akw h VAL 268 Ca 0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2akw h VAL 268 Cb 0.63 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2akw h VAL 268 CO 0.00 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.75 2akw n GLY 269 N 0.27 0.32 0.16 2.17 0.00 -1.25 -3.06 105.19 103.79 2akw n GLY 269 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.16 2akw n GLY 269 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2akw h GLU 270 N 0.00 0.00 0.00 1.61 5.08 -1.14 -3.47 114.58 116.67 2akw h GLU 270 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2akw h GLU 270 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2akw h GLU 270 CO 0.00 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 2akw n GLY 271 N 0.46 0.01 3.81 -3.84 0.00 -1.24 -1.28 105.19 103.10 2akw n GLY 271 Ca -0.00 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 2akw n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2akw s ILE 272 N -2.00 5.25 -0.16 -0.61 -1.09 0.29 -2.72 121.20 120.17 2akw s ILE 272 Ca 0.00 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2akw s ILE 272 Cb 0.00 -3.61 0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2akw s ILE 272 CO 0.00 0.52 -0.11 0.00 -1.23 0.00 0.00 174.94 174.12 2akw s ALA 273 N -0.52 1.79 -0.58 9.38 0.00 0.70 -1.59 121.76 130.94 2akw s ALA 273 Ca 0.19 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 2akw s ALA 273 Cb -0.14 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 21.93 2akw s ALA 273 CO 0.08 -0.55 0.85 0.08 0.00 0.00 0.00 175.76 176.21 2akw s VAL 274 N 1.51 4.52 0.28 0.00 1.01 -0.74 -0.21 120.40 126.76 2akw s VAL 274 Ca 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2akw s VAL 274 Cb -0.14 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 2akw s VAL 274 CO -0.09 -1.16 0.25 0.00 0.00 0.00 0.00 175.10 174.10 2akw s ARG 275 N 3.55 1.54 0.49 2.72 1.70 -0.65 -1.22 118.95 127.08 2akw s ARG 275 Ca 0.22 -1.79 -0.15 0.00 -0.47 0.00 0.00 55.73 53.54 2akw s ARG 275 Cb -0.17 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.47 2akw s ARG 275 CO 0.13 -0.56 0.92 0.50 -1.08 0.00 0.00 175.30 175.21 2akw s ARG 276 N -3.71 3.88 0.25 3.89 6.06 -1.26 0.50 118.95 128.56 2akw s ARG 276 Ca 0.38 0.80 -0.27 0.00 -2.50 0.00 0.00 55.73 54.14 2akw s ARG 276 Cb 0.04 -2.21 -0.09 0.00 0.06 0.00 0.00 34.95 32.75 2akw s ARG 276 CO 0.20 -0.22 0.89 0.00 -2.50 0.00 0.00 175.30 173.67 2akw s ALA 277 N -2.58 3.33 0.16 6.12 0.00 -0.33 -4.79 121.76 123.66 2akw s ALA 277 Ca 0.56 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 2akw s ALA 277 Cb -0.10 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2akw s ALA 277 CO 0.32 0.23 1.00 1.03 0.00 0.00 0.00 175.76 178.34 2akw s ARG 278 N -1.54 4.70 0.23 0.00 1.81 -1.26 -3.66 118.95 119.22 2akw s ARG 278 Ca 0.43 1.55 -0.30 0.00 -1.72 0.00 0.00 55.73 55.69 2akw s ARG 278 Cb -0.22 -3.32 -0.15 0.00 -0.45 0.00 0.00 34.95 30.80 2akw s ARG 278 CO 0.27 0.23 0.98 0.39 -0.68 0.00 0.00 175.30 176.49 2akw n GLU 279 N 2.36 1.03 0.00 3.54 1.02 -1.26 -0.89 120.64 126.44 2akw n GLU 279 Ca 0.01 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2akw n GLU 279 Cb 0.48 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2akw n GLU 279 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2akw n GLY 280 N 1.62 2.80 3.31 0.62 0.00 -1.23 -5.00 105.19 107.31 2akw n GLY 280 Ca 0.13 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.65 2akw n GLY 280 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2akw n GLU 281 N -0.30 0.00 -4.07 1.61 1.02 -0.07 -4.54 120.64 114.29 2akw n GLU 281 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2akw n GLU 281 Cb 0.00 -1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 2akw n GLU 281 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2akw s ARG 282 N -0.58 2.95 -0.29 3.49 0.52 -1.26 0.04 118.95 123.80 2akw s ARG 282 Ca 0.72 -1.05 -0.14 0.00 -0.52 0.00 0.00 55.73 54.74 2akw s ARG 282 Cb -1.02 -2.58 0.13 0.00 0.52 0.00 0.00 34.95 32.00 2akw s ARG 282 CO 0.54 0.37 0.81 -1.17 0.02 0.00 0.00 175.30 175.88 2akw s LEU 283 N -3.87 -0.83 -0.53 2.53 0.20 -0.89 -4.73 118.68 110.56 2akw s LEU 283 Ca 0.34 1.21 -0.19 0.00 0.69 0.00 0.00 54.13 56.17 2akw s LEU 283 Cb -0.08 2.04 0.07 0.00 -0.43 0.00 0.00 46.19 47.79 2akw s LEU 283 CO 0.25 -0.18 0.67 -0.75 -0.29 0.00 0.00 176.35 176.06 2akw s LYS 284 N 2.24 3.12 0.74 1.98 2.20 -1.26 -0.81 119.74 127.95 2akw s LYS 284 Ca -0.06 -0.93 -0.11 0.00 -0.36 0.00 0.00 55.97 54.51 2akw s LYS 284 Cb -0.07 -4.13 0.03 0.00 -1.51 0.00 0.00 37.83 32.15 2akw s LYS 284 CO -0.18 -1.31 1.08 0.95 -0.36 0.00 0.00 175.35 175.52 2akw s THR 285 N 2.77 3.58 0.58 3.43 -4.23 -0.47 -0.45 115.64 120.86 2akw s THR 285 Ca 0.16 0.51 0.32 0.00 -1.18 0.00 0.00 61.69 61.50 2akw s THR 285 Cb -0.20 -3.28 0.46 0.00 1.34 0.00 0.00 72.50 70.83 2akw s THR 285 CO 0.11 -0.67 1.63 0.25 -0.54 0.00 0.00 174.62 175.40 2akw h LEU 286 N -0.87 0.00 -1.02 4.79 6.46 -1.38 0.35 115.31 123.64 2akw h LEU 286 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2akw h LEU 286 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 2akw h LEU 286 CO 0.58 0.00 0.00 -0.90 -0.62 0.00 0.00 178.44 177.50 2akw n ASP 287 N -3.66 1.22 0.00 1.25 5.68 -1.26 -4.82 116.55 114.96 2akw n ASP 287 Ca 0.21 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2akw n ASP 287 Cb 1.26 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 2akw n ASP 287 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2akw n GLY 288 N 0.20 0.42 3.68 6.12 0.00 0.12 -4.96 105.19 110.78 2akw n GLY 288 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2akw n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2akw s VAL 289 N -2.22 4.88 -0.20 1.61 1.01 -1.21 -4.87 120.40 119.41 2akw s VAL 289 Ca 0.00 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.43 2akw s VAL 289 Cb 0.00 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 2akw s VAL 289 CO 0.00 0.06 0.93 -0.70 0.00 0.00 0.00 175.10 175.38 2akw s GLU 290 N 1.90 4.27 0.41 2.72 2.56 -1.26 -1.37 118.70 127.93 2akw s GLU 290 Ca 0.41 1.17 0.05 0.00 0.00 0.00 0.00 54.97 56.60 2akw s GLU 290 Cb -0.17 -3.61 -0.06 0.00 2.00 0.00 0.00 34.13 32.29 2akw s GLU 290 CO 0.15 -0.48 0.03 1.03 -0.56 0.00 0.00 175.26 175.43 2akw s ARG 291 N 2.66 1.94 -0.11 4.30 0.52 0.01 -4.99 118.95 123.28 2akw s ARG 291 Ca 0.41 -2.13 -0.01 0.00 -0.52 0.00 0.00 55.73 53.48 2akw s ARG 291 Cb -0.16 -1.40 0.03 0.00 0.52 0.00 0.00 34.95 33.94 2akw s ARG 291 CO 0.10 -0.16 -0.06 0.99 0.02 0.00 0.00 175.30 176.19 2akw s THR 292 N -2.89 0.88 0.41 0.02 2.01 -1.26 -2.09 115.64 112.73 2akw s THR 292 Ca 0.29 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 2akw s THR 292 Cb 0.08 -0.95 -0.10 0.00 0.01 0.00 0.00 72.50 71.54 2akw s THR 292 CO 0.14 0.33 0.97 -0.76 -0.69 0.00 0.00 174.62 174.61 2akw s LEU 293 N 1.76 4.03 -0.10 4.42 1.43 0.11 -4.99 118.68 125.34 2akw s LEU 293 Ca 0.05 1.78 -0.09 0.00 -1.03 0.00 0.00 54.13 54.84 2akw s LEU 293 Cb -0.13 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2akw s LEU 293 CO -0.08 -0.36 0.21 -2.28 0.23 0.00 0.00 176.35 174.07 2akw s HIS 294 N -1.99 3.62 -1.05 0.29 5.65 -1.26 -3.48 115.29 117.07 2akw s HIS 294 Ca 0.60 0.64 0.00 0.00 0.25 0.00 0.00 55.06 56.55 2akw s HIS 294 Cb -0.13 -2.05 0.00 0.00 -1.18 0.00 0.00 32.58 29.21 2akw s HIS 294 CO 0.17 0.67 0.63 -0.35 -0.65 0.00 0.00 174.74 175.22 2akw n PRO 295 N 2.08 0.00 0.00 2.88 -0.04 -1.24 -0.21 135.00 138.46 2akw n PRO 295 Ca -0.18 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2akw n PRO 295 Cb 0.54 -1.58 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2akw n PRO 295 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2akw n GLU 296 N -1.13 1.52 -2.80 0.54 2.13 -1.26 -4.09 120.64 115.55 2akw n GLU 296 Ca 0.00 -1.24 -0.42 0.00 0.66 0.00 0.00 57.16 56.16 2akw n GLU 296 Cb 0.08 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.29 2akw n GLU 296 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2akw s ASP 297 N -2.32 7.19 0.20 4.31 1.01 0.70 -4.92 116.67 122.83 2akw s ASP 297 Ca 0.21 1.44 -0.30 0.00 0.71 0.00 0.00 52.55 54.61 2akw s ASP 297 Cb 0.18 -2.52 -0.08 0.00 1.01 0.00 0.00 42.92 41.52 2akw s ASP 297 CO 0.49 -0.31 1.03 -0.22 0.21 0.00 0.00 175.17 176.37 2akw s LEU 298 N 1.48 4.55 0.03 1.23 0.20 -1.26 -1.19 118.68 123.71 2akw s LEU 298 Ca 0.46 2.03 0.03 0.00 0.69 0.00 0.00 54.13 57.34 2akw s LEU 298 Cb -0.19 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 41.95 2akw s LEU 298 CO 0.20 -0.07 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.39 2akw s VAL 299 N -0.63 0.83 -0.41 1.68 1.01 0.18 -2.49 120.40 120.57 2akw s VAL 299 Ca 0.46 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2akw s VAL 299 Cb -0.28 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2akw s VAL 299 CO 0.34 -0.02 0.48 -0.63 0.00 0.00 0.00 175.10 175.27 2akw s ILE 300 N -0.75 5.03 0.33 2.22 -1.09 -0.41 -1.64 121.20 124.90 2akw s ILE 300 Ca -0.00 -0.15 0.09 0.00 -2.23 0.00 0.00 60.65 58.36 2akw s ILE 300 Cb -0.07 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.70 2akw s ILE 300 CO 0.01 -0.41 -0.10 0.00 -1.23 0.00 0.00 174.94 173.20 2akw s ALA 301 N 2.30 2.88 0.40 9.38 0.00 0.70 0.71 121.76 138.14 2akw s ALA 301 Ca 0.15 -2.06 0.05 0.00 0.00 0.00 0.00 51.96 50.11 2akw s ALA 301 Cb -0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 2akw s ALA 301 CO 0.15 0.08 0.02 0.20 0.00 0.00 0.00 175.76 176.21 2akw s GLY 302 N -3.58 2.48 -0.01 0.00 0.00 -0.31 0.25 107.32 106.15 2akw s GLY 302 Ca 0.32 -1.96 -0.14 0.00 0.00 0.00 0.00 44.72 42.94 2akw s GLY 302 CO 0.16 -2.04 0.29 0.66 0.00 0.00 0.00 173.10 172.17 2akw s TRP 303 N -2.89 -0.15 -0.11 1.90 -2.14 -1.10 -1.59 118.94 112.85 2akw s TRP 303 Ca 0.31 0.21 -0.03 0.00 2.66 0.00 0.00 56.10 59.25 2akw s TRP 303 Cb 0.08 0.08 0.05 0.00 -3.10 0.00 0.00 33.47 30.59 2akw s TRP 303 CO 0.15 -0.39 0.12 0.50 -2.66 0.00 0.00 176.95 174.68 2akw s ARG 304 N -1.39 0.03 7.93 3.25 3.52 -0.08 -0.47 118.95 131.74 2akw s ARG 304 Ca -0.13 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2akw s ARG 304 Cb -0.05 -0.88 0.00 0.00 -1.56 0.00 0.00 34.95 32.46 2akw s ARG 304 CO 0.04 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 2akw n GLY 305 N 5.31 3.89 1.87 8.12 0.00 -1.26 -1.44 105.19 121.67 2akw n GLY 305 Ca -0.05 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2akw n GLY 305 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2akw n GLU 306 N 13.72 4.76 -5.27 1.61 -0.58 -1.26 -4.94 120.64 128.68 2akw n GLU 306 Ca 0.00 -3.06 -0.31 0.00 -0.42 0.00 0.00 57.16 53.36 2akw n GLU 306 Cb 0.00 -2.25 -0.16 0.00 -0.57 0.00 0.00 31.44 28.46 2akw n GLU 306 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2akw s GLU 307 N -2.73 2.27 -0.10 3.49 2.02 -0.52 -5.11 118.70 118.01 2akw s GLU 307 Ca 0.53 -0.91 0.03 0.00 0.02 0.00 0.00 54.97 54.64 2akw s GLU 307 Cb 0.41 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.55 2akw s GLU 307 CO 0.15 0.51 -0.20 0.45 0.02 0.00 0.00 175.26 176.19 2akw s SER 308 N -0.48 2.74 0.01 -0.19 0.15 -1.26 -0.90 113.70 113.76 2akw s SER 308 Ca 0.06 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.24 2akw s SER 308 Cb -0.11 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 2akw s SER 308 CO 0.00 0.09 -0.08 0.72 1.20 0.00 0.00 173.24 175.18 2akw s PHE 309 N 0.61 0.67 0.39 3.44 -0.71 -0.62 -5.00 117.98 116.75 2akw s PHE 309 Ca -0.14 -0.23 -0.27 0.00 -1.04 0.00 0.00 56.93 55.26 2akw s PHE 309 Cb -0.17 -0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 41.14 2akw s PHE 309 CO 0.04 -0.02 1.29 -2.14 -1.34 0.00 0.00 175.22 173.04 2akw s PRO 310 N -0.61 4.07 -0.03 1.99 0.02 -1.26 -1.16 135.00 138.01 2akw s PRO 310 Ca -0.01 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.17 2akw s PRO 310 Cb -0.05 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 2akw s PRO 310 CO 0.00 -0.40 0.01 1.28 -0.33 0.00 0.00 177.00 177.56 2akw n LEU 311 N 0.27 0.00 -3.56 -5.54 4.77 0.22 -4.82 117.00 108.34 2akw n LEU 311 Ca 0.03 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 2akw n LEU 311 Cb 0.43 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2akw n LEU 311 CO 0.56 0.07 0.73 -0.83 -1.33 0.00 0.00 177.39 176.59 2akw s GLY 312 N -3.33 -0.41 -0.84 -0.72 0.00 -0.75 -0.15 107.32 101.11 2akw s GLY 312 Ca -0.01 0.89 -0.21 0.00 0.00 0.00 0.00 44.72 45.38 2akw s GLY 312 CO 0.13 0.28 1.12 1.08 0.00 0.00 0.00 173.10 175.71 2akw s LEU 313 N -2.56 4.57 -0.27 0.66 1.43 0.55 -1.29 118.68 121.78 2akw s LEU 313 Ca 0.07 -1.56 -0.33 0.00 -1.03 0.00 0.00 54.13 51.28 2akw s LEU 313 Cb -0.01 -2.43 -0.15 0.00 0.03 0.00 0.00 46.19 43.63 2akw s LEU 313 CO -0.07 -1.27 1.06 0.00 0.23 0.00 0.00 176.35 176.30 2akw n ALA 314 N 7.33 -1.48 -0.83 4.21 0.00 -1.04 -0.15 120.51 128.54 2akw n ALA 314 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2akw n ALA 314 Cb 0.48 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2akw n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2akw n GLY 315 N 2.43 0.31 1.06 0.00 0.00 -1.26 -4.76 105.19 102.97 2akw n GLY 315 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2akw n GLY 315 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2akw n VAL 316 N -2.18 0.82 -3.64 1.61 0.31 0.78 -2.48 118.33 113.55 2akw n VAL 316 Ca 0.00 0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 2akw n VAL 316 Cb 0.13 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.47 2akw n VAL 316 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2akw s MET 317 N -2.00 0.60 0.87 5.55 0.00 -0.87 -4.29 119.30 119.16 2akw s MET 317 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 55.69 56.42 2akw s MET 317 Cb 0.00 0.22 0.12 0.00 0.00 0.00 0.00 34.83 35.16 2akw s MET 317 CO 0.00 -0.10 1.14 0.20 0.00 0.00 0.00 175.02 176.27 2akw s GLY 318 N 0.86 1.58 0.64 2.11 0.00 -1.26 -0.33 107.32 110.93 2akw s GLY 318 Ca -0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 44.72 44.04 2akw s GLY 318 CO -0.10 0.01 1.05 -0.32 0.00 0.00 0.00 173.10 173.74 2akw s GLY 319 N -4.14 1.86 0.11 0.20 0.00 0.78 -1.31 107.32 104.82 2akw s GLY 319 Ca 0.63 0.20 -0.10 0.00 0.00 0.00 0.00 44.72 45.45 2akw s GLY 319 CO 0.52 0.51 1.29 0.00 0.00 0.00 0.00 173.10 175.42 2akw h ALA 320 N -0.18 0.31 -0.19 3.20 0.00 -0.92 -3.27 119.26 118.21 2akw h ALA 320 Ca -0.45 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 53.72 2akw h ALA 320 Cb 1.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2akw h ALA 320 CO 0.57 0.71 -0.31 1.49 0.00 0.00 0.00 179.25 181.72 2akw h GLU 321 N 0.42 0.38 -0.01 0.00 4.81 -1.92 -3.15 114.58 115.11 2akw h GLU 321 Ca -0.08 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2akw h GLU 321 Cb 1.50 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2akw h GLU 321 CO 0.17 0.65 -0.44 -1.13 -0.73 0.00 0.00 179.01 177.53 2akw n SER 322 N -4.09 1.01 -4.46 1.04 3.41 -1.25 -4.96 113.62 104.31 2akw n SER 322 Ca -0.01 -0.80 -0.49 0.00 -0.26 0.00 0.00 58.87 57.31 2akw n SER 322 Cb 0.43 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 2akw n SER 322 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2akw n GLU 323 N -0.91 0.33 -2.48 4.33 0.00 -1.19 -1.79 120.64 118.93 2akw n GLU 323 Ca 0.09 0.12 -0.42 0.00 0.00 0.00 0.00 57.16 56.95 2akw n GLU 323 Cb 0.36 -1.29 -0.03 0.00 0.00 0.00 0.00 31.44 30.48 2akw n GLU 323 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2akw s VAL 324 N -0.80 4.22 0.33 6.31 1.01 -1.26 -4.74 120.40 125.46 2akw s VAL 324 Ca 0.68 1.59 0.04 0.00 0.00 0.00 0.00 61.98 64.28 2akw s VAL 324 Cb -0.93 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 31.42 2akw s VAL 324 CO 0.56 0.12 0.13 0.54 0.00 0.00 0.00 175.10 176.45 2akw n ARG 325 N 3.95 0.61 -0.33 2.72 1.74 -1.26 -4.86 116.66 119.23 2akw n ARG 325 Ca 0.08 -2.79 0.14 0.00 -0.77 0.00 0.00 57.85 54.51 2akw n ARG 325 Cb 0.47 1.59 0.36 0.00 -1.02 0.00 0.00 32.46 33.87 2akw n ARG 325 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2akw h GLU 326 N 0.00 0.68 -0.00 5.56 3.07 -1.95 -1.76 114.58 120.17 2akw h GLU 326 Ca -0.25 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2akw h GLU 326 Cb 0.99 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2akw h GLU 326 CO 0.40 0.45 -0.03 -0.25 -1.40 0.00 0.00 179.01 178.17 2akw n ASP 327 N -4.71 0.40 -4.76 1.42 8.00 -1.26 -4.42 116.55 111.21 2akw n ASP 327 Ca 0.23 -0.85 -0.41 0.00 0.71 0.00 0.00 54.79 54.47 2akw n ASP 327 Cb 0.60 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 2akw n ASP 327 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2akw s THR 328 N -2.21 2.90 -0.01 -3.53 2.01 -0.66 -4.94 115.64 109.19 2akw s THR 328 Ca 0.38 0.88 0.01 0.00 0.31 0.00 0.00 61.69 63.27 2akw s THR 328 Cb 0.21 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 2akw s THR 328 CO 0.41 0.20 0.01 -0.62 -0.69 0.00 0.00 174.62 173.93 2akw n GLU 329 N 1.08 2.78 -3.97 4.92 1.02 -1.26 -4.49 120.64 120.72 2akw n GLU 329 Ca 0.01 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 2akw n GLU 329 Cb 0.42 -1.03 -0.09 0.00 -0.02 0.00 0.00 31.44 30.72 2akw n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2akw s ALA 330 N -2.05 0.10 0.16 0.62 0.00 -1.26 -0.43 121.76 118.90 2akw s ALA 330 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2akw s ALA 330 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2akw s ALA 330 CO 0.05 -0.34 0.17 0.96 0.00 0.00 0.00 175.76 176.60 2akw s ILE 331 N -3.00 0.07 -0.15 0.00 -4.36 -0.03 -1.97 121.20 111.76 2akw s ILE 331 Ca -0.02 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 2akw s ILE 331 Cb 0.01 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 2akw s ILE 331 CO -0.06 -0.30 -0.14 0.00 0.24 0.00 0.00 174.94 174.68 2akw s ALA 332 N -4.04 2.54 -0.31 2.27 0.00 -0.36 -3.19 121.76 118.67 2akw s ALA 332 Ca 0.25 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2akw s ALA 332 Cb 0.06 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2akw s ALA 332 CO 0.04 0.06 0.17 -1.17 0.00 0.00 0.00 175.76 174.86 2akw s LEU 333 N 0.66 4.15 -0.16 0.00 0.20 0.53 -1.35 118.68 122.71 2akw s LEU 333 Ca -0.07 -0.43 -0.24 0.00 0.69 0.00 0.00 54.13 54.07 2akw s LEU 333 Cb -0.16 -2.04 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 2akw s LEU 333 CO 0.02 -0.18 0.77 -0.70 -0.29 0.00 0.00 176.35 175.98 2akw s GLU 334 N 1.65 4.30 -0.21 1.98 2.12 -0.36 -1.28 118.70 126.91 2akw s GLU 334 Ca 0.05 0.92 -0.04 0.00 0.36 0.00 0.00 54.97 56.26 2akw s GLU 334 Cb -0.17 -3.55 0.08 0.00 0.26 0.00 0.00 34.13 30.75 2akw s GLU 334 CO 0.07 -0.25 0.15 0.08 -0.54 0.00 0.00 175.26 174.78 2akw s VAL 335 N 1.89 -0.19 0.30 3.70 1.01 -1.10 -2.14 120.40 123.87 2akw s VAL 335 Ca 0.36 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2akw s VAL 335 Cb -0.17 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2akw s VAL 335 CO 0.13 -0.33 0.26 0.00 0.00 0.00 0.00 175.10 175.16 2akw n ALA 336 N 5.29 0.61 -3.86 5.51 0.00 -1.26 -1.59 120.51 125.21 2akw n ALA 336 Ca -0.06 -1.74 -0.28 0.00 0.00 0.00 0.00 53.44 51.36 2akw n ALA 336 Cb 0.48 1.41 -0.16 0.00 0.00 0.00 0.00 19.45 21.18 2akw n ALA 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2akw s PHE 338 N 1.66 3.34 -0.32 0.00 0.08 -1.26 -3.30 117.98 118.18 2akw s PHE 338 Ca -0.01 -0.02 -0.28 0.00 0.12 0.00 0.00 56.93 56.74 2akw s PHE 338 Cb -0.16 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2akw s PHE 338 CO -0.07 0.48 1.76 0.34 -0.10 0.00 0.00 175.22 177.62 2akw s ASP 339 N -3.76 5.98 0.27 1.36 2.15 0.51 -4.90 116.67 118.28 2akw s ASP 339 Ca 0.34 1.31 -0.03 0.00 0.43 0.00 0.00 52.55 54.60 2akw s ASP 339 Cb -0.09 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.58 2akw s ASP 339 CO 0.27 -1.64 1.62 -0.65 -0.17 0.00 0.00 175.17 174.61 2akw h PRO 340 N 12.49 0.10 -0.30 4.34 0.11 -1.89 -1.57 132.00 145.29 2akw h PRO 340 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2akw h PRO 340 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2akw h PRO 340 CO 1.03 0.07 0.15 0.28 -0.21 0.00 0.00 178.00 179.31 2akw h VAL 341 N 0.11 1.15 0.11 3.15 2.07 -1.89 0.58 116.25 121.52 2akw h VAL 341 Ca 0.49 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2akw h VAL 341 Cb 0.93 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2akw h VAL 341 CO -0.73 0.16 -0.20 -1.28 0.02 0.00 0.00 177.57 175.54 2akw h SER 342 N 0.36 -0.57 -0.61 0.57 0.87 -1.72 0.37 113.55 112.82 2akw h SER 342 Ca 0.10 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2akw h SER 342 Cb 0.12 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 2akw h SER 342 CO -0.01 -0.29 0.37 0.40 -0.53 0.00 0.00 176.83 176.77 2akw h ILE 343 N -0.38 1.07 -0.20 2.23 1.08 -1.23 -0.68 117.51 119.40 2akw h ILE 343 Ca 0.03 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.30 2akw h ILE 343 Cb 0.40 0.27 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 2akw h ILE 343 CO -0.11 0.13 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.16 2akw h ARG 344 N 0.73 -0.24 -0.34 2.37 2.43 -0.21 0.14 114.38 119.26 2akw h ARG 344 Ca 0.25 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2akw h ARG 344 Cb 0.03 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2akw h ARG 344 CO -0.11 -0.16 -0.00 0.87 -1.51 0.00 0.00 179.97 179.06 2akw h LYS 345 N -0.25 0.60 -0.09 0.20 1.57 -0.53 -2.41 116.57 115.66 2akw h LYS 345 Ca 0.12 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2akw h LYS 345 Cb 0.44 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2akw h LYS 345 CO -0.34 0.73 0.06 1.15 -0.57 0.00 0.00 179.45 180.47 2akw h THR 346 N 0.41 1.04 -0.35 -0.16 2.02 -0.90 0.16 112.91 115.13 2akw h THR 346 Ca 0.10 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.27 2akw h THR 346 Cb 0.46 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 2akw h THR 346 CO 0.02 0.03 -0.17 0.00 0.37 0.00 0.00 175.52 175.77 2akw h ALA 347 N 1.01 0.10 0.79 6.16 0.00 -0.68 -2.18 119.26 124.46 2akw h ALA 347 Ca 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2akw h ALA 347 Cb 0.01 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2akw h ALA 347 CO -0.01 -0.55 -0.43 0.00 0.00 0.00 0.00 179.25 178.27 2akw h ARG 348 N -0.11 -1.08 -1.05 0.00 -0.00 -1.17 -0.54 114.38 110.44 2akw h ARG 348 Ca 0.18 0.07 0.40 0.00 -0.50 0.00 0.00 59.98 60.13 2akw h ARG 348 Cb 0.38 0.25 -0.14 0.00 0.00 0.00 0.00 29.97 30.45 2akw h ARG 348 CO -0.42 -0.72 0.63 -2.13 0.00 0.00 0.00 179.97 177.33 2akw n ARG 349 N -5.58 -0.04 -0.15 0.04 0.63 0.54 0.24 116.66 112.33 2akw n ARG 349 Ca -0.15 1.17 0.06 0.00 -0.92 0.00 0.00 57.85 58.01 2akw n ARG 349 Cb 0.46 -2.19 0.14 0.00 0.45 0.00 0.00 32.46 31.32 2akw n ARG 349 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2akw n HIS 350 N -4.74 0.40 -2.91 -0.14 8.25 -0.87 -4.99 115.22 110.23 2akw n HIS 350 Ca 0.35 -0.39 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 2akw n HIS 350 Cb 1.26 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 32.39 2akw n HIS 350 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2akw n GLY 351 N 0.66 -0.31 3.51 -1.41 0.00 0.14 -5.00 105.19 102.76 2akw n GLY 351 Ca 0.12 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2akw n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2akw s LEU 352 N -5.65 3.03 -0.22 0.99 1.43 -0.28 -5.03 118.68 112.95 2akw s LEU 352 Ca 0.26 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2akw s LEU 352 Cb -0.12 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2akw s LEU 352 CO 0.33 0.28 0.07 -0.60 0.23 0.00 0.00 176.35 176.66 2akw s ARG 353 N -0.33 0.44 0.33 1.70 3.00 -1.26 -4.39 118.95 118.43 2akw s ARG 353 Ca 0.04 -0.44 0.09 0.00 -1.00 0.00 0.00 55.73 54.42 2akw s ARG 353 Cb -0.13 -1.88 -0.06 0.00 0.00 0.00 0.00 34.95 32.88 2akw s ARG 353 CO 0.02 -0.75 -0.08 0.95 0.00 0.00 0.00 175.30 175.44 2akw s THR 354 N 1.94 2.06 0.47 4.11 -4.23 -1.26 -4.99 115.64 113.74 2akw s THR 354 Ca 0.03 -2.18 0.20 0.00 -1.18 0.00 0.00 61.69 58.56 2akw s THR 354 Cb -0.17 -2.60 0.37 0.00 1.34 0.00 0.00 72.50 71.44 2akw s THR 354 CO -0.15 -0.22 1.95 -0.33 -0.54 0.00 0.00 174.62 175.33 2akw h GLU 355 N 2.09 0.23 0.15 3.99 4.39 -1.98 -0.42 114.58 123.03 2akw h GLU 355 Ca -0.41 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 2akw h GLU 355 Cb 1.25 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2akw h GLU 355 CO 0.70 0.15 -0.07 0.00 -1.16 0.00 0.00 179.01 178.63 2akw h ALA 356 N 1.68 -0.20 -0.60 3.43 0.00 -1.86 -3.15 119.26 118.56 2akw h ALA 356 Ca 0.32 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2akw h ALA 356 Cb 0.91 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2akw h ALA 356 CO -0.07 -0.20 0.11 0.66 0.00 0.00 0.00 179.25 179.76 2akw h SER 357 N -1.04 -0.03 -0.53 0.00 4.64 -1.16 -1.20 113.55 114.23 2akw h SER 357 Ca -0.02 0.12 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 2akw h SER 357 Cb 0.24 0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 62.39 2akw h SER 357 CO 0.03 -0.01 -0.22 -0.74 -0.87 0.00 0.00 176.83 175.03 2akw h HIS 358 N 0.24 -0.55 -0.29 4.77 6.17 -1.21 0.16 115.15 124.45 2akw h HIS 358 Ca 0.31 0.06 -0.12 0.00 0.71 0.00 0.00 60.37 61.33 2akw h HIS 358 Cb 0.47 0.32 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 2akw h HIS 358 CO -0.26 -0.31 -0.32 0.00 0.71 0.00 0.00 177.93 177.76 2akw h ARG 359 N -0.09 0.61 -0.03 5.26 3.08 -1.22 -2.37 114.38 119.62 2akw h ARG 359 Ca 0.25 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2akw h ARG 359 Cb 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2akw h ARG 359 CO -0.59 0.85 -0.64 0.74 -1.07 0.00 0.00 179.97 179.25 2akw h PHE 360 N 0.52 0.17 -0.51 3.04 0.04 -0.25 -0.50 116.94 119.44 2akw h PHE 360 Ca 0.06 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 2akw h PHE 360 Cb 0.80 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 2akw h PHE 360 CO 0.03 0.73 -0.02 0.93 -0.60 0.00 0.00 178.31 179.38 2akw h GLU 361 N 0.09 0.91 0.00 1.51 5.08 -0.61 -2.61 114.58 118.95 2akw h GLU 361 Ca -0.01 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2akw h GLU 361 Cb 1.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2akw h GLU 361 CO 0.09 0.95 0.00 0.00 -1.00 0.00 0.00 179.01 179.05 2akw h ARG 362 N 0.78 0.00 0.00 2.33 -0.00 -1.32 -3.46 114.38 112.71 2akw h ARG 362 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 2akw h ARG 362 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.53 2akw h ARG 362 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.41 2akw n GLY 363 N 1.07 2.37 3.51 0.04 0.00 -0.21 -4.70 105.19 107.28 2akw n GLY 363 Ca 0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 2akw n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2akw s VAL 364 N -0.72 2.77 -0.29 1.61 1.01 -1.26 -4.76 120.40 118.77 2akw s VAL 364 Ca 0.00 -2.07 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 2akw s VAL 364 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2akw s VAL 364 CO 0.00 -0.26 2.26 -0.67 0.00 0.00 0.00 175.10 176.42 2akw n ASP 365 N -0.30 2.91 0.16 3.32 -0.08 -1.26 -4.80 116.55 116.49 2akw n ASP 365 Ca -0.08 0.12 0.08 0.00 -1.51 0.00 0.00 54.79 53.39 2akw n ASP 365 Cb 0.58 -1.51 0.41 0.00 2.34 0.00 0.00 41.12 42.94 2akw n ASP 365 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2akw n PRO 366 N 8.72 0.10 -0.71 -0.67 -0.04 -1.26 -1.07 135.00 140.07 2akw n PRO 366 Ca 0.33 0.58 0.04 0.00 -0.04 0.00 0.00 63.50 64.42 2akw n PRO 366 Cb 0.42 -2.06 0.07 0.00 -0.04 0.00 0.00 33.50 31.90 2akw n PRO 366 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2akw n LEU 367 N -2.10 1.27 0.02 1.53 4.77 -1.26 -4.72 117.00 116.51 2akw n LEU 367 Ca -0.01 -2.26 0.12 0.00 -0.03 0.00 0.00 56.01 53.83 2akw n LEU 367 Cb 0.26 -0.19 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 2akw n LEU 367 CO 0.07 0.63 0.22 0.61 -1.33 0.00 0.00 177.39 177.59 2akw n GLY 368 N -0.36 -1.24 0.35 -0.72 0.00 -0.23 -4.53 105.19 98.46 2akw n GLY 368 Ca 0.09 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 2akw n GLY 368 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2akw h GLN 369 N 0.00 -0.46 -0.71 1.61 7.50 -1.87 -1.23 115.11 119.95 2akw h GLN 369 Ca 0.00 0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.20 2akw h GLN 369 Cb 0.63 0.10 -0.04 0.00 0.05 0.00 0.00 27.48 28.22 2akw h GLN 369 CO 0.00 -0.31 0.45 0.28 -1.50 0.00 0.00 178.83 177.76 2akw h VAL 370 N -0.48 1.12 -0.41 -0.54 2.07 -1.92 0.18 116.25 116.28 2akw h VAL 370 Ca 0.07 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2akw h VAL 370 Cb 0.58 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2akw h VAL 370 CO -0.31 0.16 0.02 -0.65 0.02 0.00 0.00 177.57 176.82 2akw h PRO 371 N 0.90 0.64 -0.36 1.57 0.11 -1.78 -2.51 132.00 130.57 2akw h PRO 371 Ca 0.28 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 2akw h PRO 371 Cb -0.02 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 2akw h PRO 371 CO -0.09 0.65 -0.14 0.00 -0.21 0.00 0.00 178.00 178.20 2akw h ALA 372 N 1.42 1.08 -0.47 -0.75 0.00 -0.34 -2.31 119.26 117.89 2akw h ALA 372 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2akw h ALA 372 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2akw h ALA 372 CO 0.01 0.57 0.20 1.96 0.00 0.00 0.00 179.25 181.99 2akw h GLN 373 N 0.58 0.69 -0.14 0.00 1.08 -0.57 -1.10 115.11 115.66 2akw h GLN 373 Ca 0.10 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2akw h GLN 373 Cb 0.58 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2akw h GLN 373 CO 0.04 0.61 0.08 0.00 -0.95 0.00 0.00 178.83 178.61 2akw h ARG 374 N 0.61 0.20 -0.05 1.46 3.08 -1.23 0.28 114.38 118.73 2akw h ARG 374 Ca 0.16 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.22 2akw h ARG 374 Cb 0.17 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 2akw h ARG 374 CO -0.02 0.20 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.68 2akw h ARG 375 N 0.14 -0.41 0.44 0.04 1.12 -1.25 0.24 114.38 114.69 2akw h ARG 375 Ca 0.05 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.93 2akw h ARG 375 Cb 0.05 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2akw h ARG 375 CO -0.01 -0.28 -0.21 0.00 -3.11 0.00 0.00 179.97 176.36 2akw h ALA 376 N 0.35 -0.59 -0.89 2.80 0.00 -0.99 -1.26 119.26 118.68 2akw h ALA 376 Ca 0.07 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2akw h ALA 376 Cb 0.54 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2akw h ALA 376 CO -0.29 -0.80 0.54 -0.07 0.00 0.00 0.00 179.25 178.63 2akw h LEU 377 N -0.66 0.82 0.24 0.00 3.38 -0.30 0.38 115.31 119.16 2akw h LEU 377 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2akw h LEU 377 Cb 0.49 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2akw h LEU 377 CO 0.10 0.49 -0.22 -1.28 0.09 0.00 0.00 178.44 177.62 2akw h SER 378 N 0.93 -0.58 -1.00 -0.43 0.87 -0.40 0.13 113.55 113.07 2akw h SER 378 Ca 0.41 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 61.04 2akw h SER 378 Cb 0.30 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 2akw h SER 378 CO -0.22 -0.33 0.66 -0.07 -0.53 0.00 0.00 176.83 176.34 2akw h LEU 379 N -0.49 1.13 -1.24 2.23 3.38 -0.27 -1.14 115.31 118.91 2akw h LEU 379 Ca -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2akw h LEU 379 Cb 0.44 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2akw h LEU 379 CO -0.04 0.80 -0.05 -0.07 0.09 0.00 0.00 178.44 179.17 2akw h LEU 380 N 1.32 0.43 -0.51 1.67 3.38 0.33 0.76 115.31 122.69 2akw h LEU 380 Ca 0.38 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 2akw h LEU 380 Cb -0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2akw h LEU 380 CO -0.09 0.54 -0.35 -0.61 0.09 0.00 0.00 178.44 178.01 2akw h GLN 381 N 0.43 0.83 -0.07 1.13 4.15 0.34 0.24 115.11 122.17 2akw h GLN 381 Ca 0.09 -0.41 -0.22 0.00 0.77 0.00 0.00 58.65 58.87 2akw h GLN 381 Cb 0.37 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.07 2akw h GLN 381 CO 0.02 1.05 -0.86 0.00 -1.93 0.00 0.00 178.83 177.11 2akw h ALA 382 N 0.91 0.36 0.00 3.38 0.00 -0.63 -2.53 119.26 120.74 2akw h ALA 382 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2akw h ALA 382 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2akw h ALA 382 CO 0.08 0.74 -1.72 1.28 0.00 0.00 0.00 179.25 179.63 2akw n LEU 383 N -3.85 0.12 0.00 0.00 4.32 0.21 -4.48 117.00 113.33 2akw n LEU 383 Ca -0.07 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2akw n LEU 383 Cb 0.79 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.59 2akw n LEU 383 CO 0.52 0.03 0.45 0.00 -1.22 0.00 0.00 177.39 177.17 2akw n ALA 384 N -2.05 1.80 -3.67 -1.18 0.00 0.03 -4.90 120.51 110.53 2akw n ALA 384 Ca -0.02 -0.90 -0.27 0.00 0.00 0.00 0.00 53.44 52.24 2akw n ALA 384 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 2akw n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2akw n GLY 385 N -0.40 -0.51 3.77 0.00 0.00 -0.96 -1.81 105.19 105.29 2akw n GLY 385 Ca 0.00 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2akw n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akw s ALA 386 N -3.24 3.24 -0.28 4.61 0.00 -0.93 -4.65 121.76 120.50 2akw s ALA 386 Ca 0.58 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2akw s ALA 386 Cb -0.28 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2akw s ALA 386 CO 0.71 -0.34 0.15 1.03 0.00 0.00 0.00 175.76 177.31 2akw s ARG 387 N -2.05 3.71 0.01 0.00 0.52 -0.31 -4.43 118.95 116.41 2akw s ARG 387 Ca 0.53 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 2akw s ARG 387 Cb -0.29 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.58 2akw s ARG 387 CO 0.37 -0.25 0.05 0.08 0.02 0.00 0.00 175.30 175.57 2akw s VAL 388 N 1.69 4.48 0.48 3.52 1.01 -1.26 -1.45 120.40 128.87 2akw s VAL 388 Ca 0.06 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 2akw s VAL 388 Cb -0.16 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 2akw s VAL 388 CO 0.08 0.33 0.95 0.00 0.00 0.00 0.00 175.10 176.46 2akw s ALA 389 N -1.18 3.10 0.09 5.51 0.00 -0.77 -0.73 121.76 127.79 2akw s ALA 389 Ca 0.22 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 2akw s ALA 389 Cb -0.12 -3.07 -0.19 0.00 0.00 0.00 0.00 23.12 19.75 2akw s ALA 389 CO 0.13 -0.12 1.26 1.49 0.00 0.00 0.00 175.76 178.52 2akw h GLU 390 N 1.18 0.76 -6.92 0.00 4.81 -1.50 -3.41 114.58 109.50 2akw h GLU 390 Ca -0.47 -0.70 -0.49 0.00 -0.13 0.00 0.00 59.36 57.57 2akw h GLU 390 Cb 1.18 0.17 0.03 0.00 0.63 0.00 0.00 28.75 30.76 2akw h GLU 390 CO 0.62 1.29 0.12 0.00 -0.73 0.00 0.00 179.01 180.31 2akw s ALA 391 N -3.58 3.38 0.37 2.92 0.00 -1.26 -5.00 121.76 118.59 2akw s ALA 391 Ca -0.10 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2akw s ALA 391 Cb 0.08 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 2akw s ALA 391 CO 0.91 -0.27 -0.04 -0.51 0.00 0.00 0.00 175.76 175.86 2akw s LEU 392 N -4.50 2.78 -0.20 0.00 1.43 -1.26 -4.61 118.68 112.32 2akw s LEU 392 Ca 0.49 -1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 2akw s LEU 392 Cb -0.10 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2akw s LEU 392 CO 0.41 -0.33 -0.04 -0.76 0.23 0.00 0.00 176.35 175.86 2akw s LEU 393 N -3.65 2.98 0.05 1.79 1.02 -0.63 -4.94 118.68 115.30 2akw s LEU 393 Ca 0.34 -0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.22 2akw s LEU 393 Cb 0.06 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 2akw s LEU 393 CO 0.17 0.03 -0.19 -0.70 0.02 0.00 0.00 176.35 175.68 2akw s GLU 394 N 1.20 1.23 -0.17 1.70 2.12 -1.26 -0.41 118.70 123.10 2akw s GLU 394 Ca 0.03 -0.91 -0.04 0.00 0.36 0.00 0.00 54.97 54.41 2akw s GLU 394 Cb -0.14 -1.32 0.08 0.00 0.26 0.00 0.00 34.13 33.00 2akw s GLU 394 CO -0.01 0.33 0.22 0.00 -0.54 0.00 0.00 175.26 175.26 2akw s ALA 395 N -0.85 -0.28 0.00 6.30 0.00 -0.56 -5.00 121.76 121.37 2akw s ALA 395 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2akw s ALA 395 Cb -0.09 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2akw s ALA 395 CO 0.02 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2akw n GLY 396 N 5.32 3.13 2.58 0.00 0.00 -1.26 -0.82 105.19 114.14 2akw n GLY 396 Ca -0.05 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2akw n GLY 396 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2akw n SER 397 N 0.00 -2.05 -4.70 1.61 2.88 -1.26 -4.86 113.62 105.23 2akw n SER 397 Ca 0.00 -2.74 -0.39 0.00 -1.33 0.00 0.00 58.87 54.42 2akw n SER 397 Cb 0.00 0.74 0.04 0.00 -0.75 0.00 0.00 64.21 64.24 2akw n SER 397 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2akw n PRO 398 N 2.66 1.47 -3.34 -1.46 -0.02 -1.26 -5.00 135.00 128.05 2akw n PRO 398 Ca 0.22 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 2akw n PRO 398 Cb 0.54 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 2akw n PRO 398 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2akw s LYS 399 N -2.80 4.02 1.03 -0.52 -0.14 -1.26 -5.04 119.74 115.02 2akw s LYS 399 Ca 0.72 0.54 -0.12 0.00 -1.36 0.00 0.00 55.97 55.75 2akw s LYS 399 Cb -0.43 -2.97 0.21 0.00 -1.68 0.00 0.00 37.83 32.95 2akw s LYS 399 CO 0.49 0.50 1.08 -2.14 -0.76 0.00 0.00 175.35 174.51 2akw s PRO 400 N -1.83 0.18 0.53 -1.68 0.02 -1.26 -4.97 135.00 125.99 2akw s PRO 400 Ca 0.37 0.96 -0.19 0.00 0.02 0.00 0.00 61.00 62.16 2akw s PRO 400 Cb -0.16 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 2akw s PRO 400 CO 0.19 -3.02 1.08 -1.25 -0.33 0.00 0.00 177.00 173.67 2akw s PRO 401 N -4.67 3.54 0.69 5.54 0.04 -1.26 -5.03 135.00 133.85 2akw s PRO 401 Ca 0.66 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 2akw s PRO 401 Cb -0.22 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.31 2akw s PRO 401 CO 0.61 -0.66 1.03 -1.21 0.04 0.00 0.00 177.00 176.81 2akw s GLU 402 N -3.38 2.56 0.40 4.56 2.02 -1.26 -4.85 118.70 118.75 2akw s GLU 402 Ca 0.69 0.09 -0.23 0.00 0.02 0.00 0.00 54.97 55.53 2akw s GLU 402 Cb -0.19 -2.12 -0.10 0.00 0.10 0.00 0.00 34.13 31.82 2akw s GLU 402 CO 0.25 -1.08 0.99 0.00 0.02 0.00 0.00 175.26 175.44 2akw s ALA 403 N -3.26 3.08 -0.10 5.21 0.00 -1.26 -4.37 121.76 121.05 2akw s ALA 403 Ca 0.58 0.55 0.04 0.00 0.00 0.00 0.00 51.96 53.13 2akw s ALA 403 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2akw s ALA 403 CO 0.48 -0.01 -0.23 0.42 0.00 0.00 0.00 175.76 176.42 2akw s ILE 404 N -1.84 1.98 0.13 0.00 1.01 0.36 -4.87 121.20 117.96 2akw s ILE 404 Ca 0.58 -0.96 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 2akw s ILE 404 Cb -0.17 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 2akw s ILE 404 CO 0.21 0.54 1.36 -2.16 0.00 0.00 0.00 174.94 174.89 2akw s PRO 405 N 0.47 4.34 -0.06 2.79 0.04 -1.26 -0.34 135.00 140.99 2akw s PRO 405 Ca -0.16 2.05 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2akw s PRO 405 Cb -0.17 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2akw s PRO 405 CO 0.06 -0.38 -0.05 0.12 0.04 0.00 0.00 177.00 176.80 2akw s PHE 406 N 0.87 0.88 -0.28 0.56 5.36 0.42 -4.41 117.98 121.38 2akw s PHE 406 Ca 0.62 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 56.32 2akw s PHE 406 Cb -0.36 -0.80 0.06 0.00 -0.34 0.00 0.00 43.02 41.58 2akw s PHE 406 CO 0.32 -0.26 -0.07 1.03 -1.46 0.00 0.00 175.22 174.78 2akw s ARG 407 N 1.20 2.27 0.52 10.12 3.00 -1.26 0.11 118.95 134.91 2akw s ARG 407 Ca -0.06 -1.34 0.32 0.00 0.00 0.00 0.00 55.73 54.64 2akw s ARG 407 Cb -0.14 -2.99 1.46 0.00 0.00 0.00 0.00 34.95 33.28 2akw s ARG 407 CO -0.02 -0.60 1.85 -1.35 0.00 0.00 0.00 175.30 175.19 2akw h PRO 408 N 7.84 0.05 -0.45 3.54 0.11 -1.97 0.13 132.00 141.25 2akw h PRO 408 Ca -0.19 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.80 2akw h PRO 408 Cb 1.05 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2akw h PRO 408 CO 0.49 0.03 -0.17 1.49 -0.21 0.00 0.00 178.00 179.63 2akw h GLU 409 N 0.05 0.90 -0.45 1.05 4.22 -1.94 -2.05 114.58 116.36 2akw h GLU 409 Ca 0.48 -0.37 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 2akw h GLU 409 Cb 1.84 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 2akw h GLU 409 CO -0.03 1.03 -0.17 -0.92 -2.18 0.00 0.00 179.01 176.73 2akw h TYR 410 N 0.74 1.05 0.02 0.92 3.20 -1.18 -0.39 116.97 121.33 2akw h TYR 410 Ca 0.11 -0.25 0.03 0.00 3.14 0.00 0.00 58.73 61.76 2akw h TYR 410 Cb 0.73 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 2akw h TYR 410 CO 0.05 1.04 -0.34 0.00 -1.64 0.00 0.00 178.16 177.27 2akw h ALA 411 N 0.86 -0.52 -0.32 1.82 0.00 -1.18 0.42 119.26 120.33 2akw h ALA 411 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2akw h ALA 411 Cb 0.74 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2akw h ALA 411 CO 0.06 -0.86 0.12 -0.91 0.00 0.00 0.00 179.25 177.66 2akw h ASN 412 N -0.50 0.41 -0.19 0.00 2.35 -1.25 -1.79 115.58 114.60 2akw h ASN 412 Ca 0.05 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 2akw h ASN 412 Cb 0.58 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2akw h ASN 412 CO -0.26 0.38 -0.57 0.03 -1.65 0.00 0.00 177.43 175.36 2akw h ARG 413 N 0.45 0.72 -0.48 0.81 3.08 -0.07 0.15 114.38 119.03 2akw h ARG 413 Ca 0.11 -0.52 -0.13 0.00 0.07 0.00 0.00 59.98 59.51 2akw h ARG 413 Cb 0.10 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2akw h ARG 413 CO -0.01 1.14 -0.21 1.25 -1.07 0.00 0.00 179.97 181.07 2akw h LEU 414 N 0.42 1.01 0.03 3.04 5.85 0.03 -3.19 115.31 122.50 2akw h LEU 414 Ca -0.02 -0.38 -0.24 0.00 0.84 0.00 0.00 57.88 58.08 2akw h LEU 414 Cb 1.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 2akw h LEU 414 CO 0.12 1.18 -1.18 -0.07 -0.34 0.00 0.00 178.44 178.15 2akw h LEU 415 N 0.86 0.09 0.00 2.25 3.38 -1.36 -3.47 115.31 117.05 2akw h LEU 415 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2akw h LEU 415 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2akw h LEU 415 CO 0.07 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2akw n GLY 416 N 1.43 0.68 2.98 0.83 0.00 0.40 -4.84 105.19 106.66 2akw n GLY 416 Ca -0.05 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2akw n GLY 416 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2akw n THR 417 N -2.55 0.00 -2.89 2.61 -2.24 -0.49 -4.65 114.28 104.06 2akw n THR 417 Ca 0.00 -1.48 -0.12 0.00 -2.27 0.00 0.00 64.05 60.18 2akw n THR 417 Cb 0.00 -0.62 0.03 0.00 -2.10 0.00 0.00 70.33 67.64 2akw n THR 417 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2akw n SER 418 N -2.48 -0.12 -4.73 3.42 3.41 -1.26 -4.54 113.62 107.34 2akw n SER 418 Ca 0.12 -3.02 -0.41 0.00 -0.26 0.00 0.00 58.87 55.29 2akw n SER 418 Cb 0.46 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.57 2akw n SER 418 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2akw s TYR 419 N -1.63 3.64 0.33 7.33 2.02 -1.26 -4.99 117.35 122.79 2akw s TYR 419 Ca 0.30 1.62 -0.29 0.00 -0.37 0.00 0.00 57.07 58.33 2akw s TYR 419 Cb 0.37 -3.21 -0.10 0.00 -0.40 0.00 0.00 41.96 38.61 2akw s TYR 419 CO -0.05 -0.40 1.36 -1.25 -1.57 0.00 0.00 175.55 173.65 2akw s PRO 420 N 0.27 4.29 0.18 -1.71 0.04 -1.26 -4.87 135.00 131.95 2akw s PRO 420 Ca 0.51 2.30 -0.17 0.00 0.04 0.00 0.00 61.00 63.68 2akw s PRO 420 Cb -0.26 -3.06 0.16 0.00 0.04 0.00 0.00 34.50 31.38 2akw s PRO 420 CO 0.31 -0.29 1.32 -1.91 0.04 0.00 0.00 177.00 176.46 2akw n GLU 421 N 0.99 -0.23 -0.30 4.56 2.13 -1.26 -0.77 120.64 125.76 2akw n GLU 421 Ca 0.01 1.30 0.08 0.00 0.66 0.00 0.00 57.16 59.22 2akw n GLU 421 Cb 0.41 -1.93 0.24 0.00 0.27 0.00 0.00 31.44 30.43 2akw n GLU 421 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2akw h ALA 422 N 1.03 1.32 -0.60 4.31 0.00 -2.00 -0.52 119.26 122.81 2akw h ALA 422 Ca 0.27 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2akw h ALA 422 Cb 0.48 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2akw h ALA 422 CO -0.83 -0.14 0.36 1.49 0.00 0.00 0.00 179.25 180.12 2akw h GLU 423 N 0.58 0.69 0.53 0.00 4.81 -1.31 -1.87 114.58 118.01 2akw h GLU 423 Ca 0.48 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 2akw h GLU 423 Cb 0.74 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2akw h GLU 423 CO -0.40 0.46 -0.25 1.96 -0.73 0.00 0.00 179.01 180.05 2akw h GLN 424 N 0.71 -0.68 -0.84 1.92 4.20 -0.96 -2.44 115.11 117.03 2akw h GLN 424 Ca 0.24 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.12 2akw h GLN 424 Cb 0.03 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 2akw h GLN 424 CO -0.10 -0.39 0.54 0.82 -0.67 0.00 0.00 178.83 179.03 2akw h ILE 425 N -0.87 0.88 0.01 2.54 2.04 -1.31 -1.24 117.51 119.57 2akw h ILE 425 Ca -0.07 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 2akw h ILE 425 Cb 0.60 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2akw h ILE 425 CO 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 2akw h ALA 426 N 1.60 -0.01 -0.02 1.87 0.00 -1.27 -0.90 119.26 120.53 2akw h ALA 426 Ca 0.41 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2akw h ALA 426 Cb 0.61 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2akw h ALA 426 CO -0.17 -0.43 -0.46 0.82 0.00 0.00 0.00 179.25 179.01 2akw h ILE 427 N -0.17 0.00 -0.89 0.00 1.08 -0.76 0.11 117.51 116.88 2akw h ILE 427 Ca -0.00 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 2akw h ILE 427 Cb 0.16 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.78 2akw h ILE 427 CO 0.00 0.00 0.36 -0.07 -0.69 0.00 0.00 178.15 177.75 2akw h LEU 428 N -0.56 0.25 -0.61 1.44 3.38 -1.24 0.15 115.31 118.12 2akw h LEU 428 Ca 0.01 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2akw h LEU 428 Cb 0.61 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2akw h LEU 428 CO -0.32 -0.05 0.13 0.11 0.09 0.00 0.00 178.44 178.41 2akw h LYS 429 N 0.34 0.98 -0.16 1.13 1.57 0.21 -1.65 116.57 118.99 2akw h LYS 429 Ca 0.56 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2akw h LYS 429 Cb 1.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2akw h LYS 429 CO -0.56 0.91 0.06 0.00 -0.57 0.00 0.00 179.45 179.28 2akw h ARG 430 N 0.89 0.21 0.00 3.15 3.08 0.18 0.20 114.38 122.10 2akw h ARG 430 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2akw h ARG 430 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2akw h ARG 430 CO 0.01 0.19 0.00 1.28 -1.07 0.00 0.00 179.97 180.37 2akw n LEU 431 N -4.47 0.00 0.00 3.04 4.77 -0.66 -4.57 117.00 115.11 2akw n LEU 431 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2akw n LEU 431 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2akw n LEU 431 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2akw n GLY 432 N 0.58 0.76 3.82 -0.72 0.00 0.06 -4.79 105.19 104.90 2akw n GLY 432 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2akw n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akw s ARG 434 N -3.81 3.69 -0.19 0.00 3.52 -0.32 -4.29 118.95 117.55 2akw s ARG 434 Ca 0.62 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.90 2akw s ARG 434 Cb -0.13 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.18 2akw s ARG 434 CO 0.28 0.43 -0.19 0.08 -0.81 0.00 0.00 175.30 175.10 2akw s VAL 435 N -0.09 2.07 0.19 7.11 1.01 -1.26 -1.58 120.40 127.85 2akw s VAL 435 Ca 0.06 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.11 2akw s VAL 435 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2akw s VAL 435 CO 0.01 0.46 -0.15 -1.61 0.00 0.00 0.00 175.10 173.81 2akw s GLU 436 N 1.27 1.85 0.00 2.72 2.02 0.26 -4.99 118.70 121.82 2akw s GLU 436 Ca 0.03 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2akw s GLU 436 Cb -0.14 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.07 2akw s GLU 436 CO -0.12 0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2akw n GLY 437 N 0.04 -0.32 1.05 -1.39 0.00 -1.26 -1.64 105.19 101.67 2akw n GLY 437 Ca -0.11 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.12 2akw n GLY 437 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2akw n GLU 438 N -0.38 0.66 -0.24 1.61 0.28 -1.26 -4.95 120.64 116.36 2akw n GLU 438 Ca 0.00 -2.47 0.03 0.00 -0.16 0.00 0.00 57.16 54.56 2akw n GLU 438 Cb 0.00 -0.70 -0.01 0.00 1.43 0.00 0.00 31.44 32.16 2akw n GLU 438 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2akw n GLY 439 N -0.22 -1.42 0.29 -1.84 0.00 -1.26 -4.90 105.19 95.83 2akw n GLY 439 Ca 0.11 -1.47 0.16 0.00 0.00 0.00 0.00 46.02 44.82 2akw n GLY 439 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2akw h PRO 440 N -0.23 0.00 -5.12 1.61 0.13 -2.00 -3.47 132.00 122.92 2akw h PRO 440 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2akw h PRO 440 Cb 0.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.09 2akw h PRO 440 CO 0.00 0.06 -0.72 -0.08 -0.23 0.00 0.00 178.00 177.03 2akw s THR 441 N -4.18 3.41 0.41 1.56 -1.32 -1.26 -4.10 115.64 110.16 2akw s THR 441 Ca -0.03 -0.50 0.05 0.00 -1.21 0.00 0.00 61.69 59.99 2akw s THR 441 Cb 0.13 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 2akw s THR 441 CO 0.54 0.46 0.58 -0.31 -2.21 0.00 0.00 174.62 173.68 2akw s TYR 442 N 1.02 3.04 -0.46 9.09 1.51 0.29 -4.79 117.35 127.06 2akw s TYR 442 Ca 0.00 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 2akw s TYR 442 Cb -0.15 -2.25 0.10 0.00 -0.11 0.00 0.00 41.96 39.56 2akw s TYR 442 CO -0.00 -0.29 0.34 1.03 -1.11 0.00 0.00 175.55 175.52 2akw s ARG 443 N -4.38 2.63 -0.28 -0.62 0.52 -0.65 -0.44 118.95 115.73 2akw s ARG 443 Ca 0.49 -1.62 -0.05 0.00 -0.52 0.00 0.00 55.73 54.04 2akw s ARG 443 Cb -0.10 -3.95 0.02 0.00 0.52 0.00 0.00 34.95 31.44 2akw s ARG 443 CO 0.34 -1.12 0.03 0.08 0.02 0.00 0.00 175.30 174.65 2akw s VAL 444 N 1.44 3.53 -0.26 3.52 1.01 0.54 -0.58 120.40 129.61 2akw s VAL 444 Ca 0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2akw s VAL 444 Cb -0.25 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2akw s VAL 444 CO 0.01 0.10 -0.00 0.28 0.00 0.00 0.00 175.10 175.49 2akw s THR 445 N 1.42 3.41 0.91 3.92 -1.32 -0.62 0.14 115.64 123.50 2akw s THR 445 Ca 0.01 -0.76 -0.12 0.00 -1.21 0.00 0.00 61.69 59.62 2akw s THR 445 Cb -0.17 -2.69 0.14 0.00 -1.51 0.00 0.00 72.50 68.26 2akw s THR 445 CO -0.00 0.22 1.09 -2.16 -2.21 0.00 0.00 174.62 171.56 2akw s PRO 446 N 1.43 1.14 0.36 7.08 0.04 -1.26 -1.17 135.00 142.61 2akw s PRO 446 Ca 0.03 0.80 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 2akw s PRO 446 Cb -0.16 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2akw s PRO 446 CO -0.02 -2.32 1.06 -2.14 0.04 0.00 0.00 177.00 173.63 2akw s PRO 447 N -4.93 4.33 0.66 0.56 0.02 -1.26 -4.68 135.00 129.70 2akw s PRO 447 Ca 0.64 1.61 0.35 0.00 0.02 0.00 0.00 61.00 63.62 2akw s PRO 447 Cb -0.18 -2.77 1.91 0.00 0.02 0.00 0.00 34.50 33.48 2akw s PRO 447 CO 0.57 -0.02 2.10 0.66 -0.33 0.00 0.00 177.00 179.99 2akw h SER 448 N 2.96 0.00 1.09 2.53 4.64 -1.96 -1.05 113.55 121.76 2akw h SER 448 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2akw h SER 448 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2akw h SER 448 CO 0.64 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.60 2akw n HIS 449 N -3.10 0.85 -3.19 4.77 1.44 -1.26 -4.39 115.22 110.35 2akw n HIS 449 Ca -0.02 0.29 -0.46 0.00 -2.01 0.00 0.00 57.72 55.52 2akw n HIS 449 Cb 0.27 -0.97 -0.02 0.00 0.12 0.00 0.00 29.99 29.39 2akw n HIS 449 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2akw s ARG 450 N -3.21 3.66 0.43 -1.40 1.81 -0.40 -4.46 118.95 115.38 2akw s ARG 450 Ca 0.07 -2.30 0.24 0.00 -1.72 0.00 0.00 55.73 52.02 2akw s ARG 450 Cb 0.11 -4.61 0.83 0.00 -0.45 0.00 0.00 34.95 30.83 2akw s ARG 450 CO 0.49 -1.45 1.79 -0.07 -0.68 0.00 0.00 175.30 175.37 2akw h LEU 451 N 8.59 0.00 0.00 2.53 3.38 -1.84 -3.09 115.31 124.88 2akw h LEU 451 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2akw h LEU 451 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2akw h LEU 451 CO 0.89 0.23 0.00 -0.90 0.09 0.00 0.00 178.44 178.75 2akw n ASP 452 N -3.34 0.00 -4.13 -0.43 5.75 -1.26 -4.66 116.55 108.47 2akw n ASP 452 Ca 0.01 -1.17 -0.36 0.00 -0.01 0.00 0.00 54.79 53.25 2akw n ASP 452 Cb 0.46 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.43 2akw n ASP 452 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2akw s LEU 453 N -1.80 5.13 0.00 -2.12 1.43 -1.17 -4.84 118.68 115.31 2akw s LEU 453 Ca 0.38 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 2akw s LEU 453 Cb 0.17 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2akw s LEU 453 CO 0.29 -0.52 0.00 0.54 0.23 0.00 0.00 176.35 176.89 2akw n ARG 454 N 4.61 0.68 -3.75 1.70 5.12 -1.26 -4.85 116.66 118.91 2akw n ARG 454 Ca -0.03 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.68 2akw n ARG 454 Cb 0.42 -0.69 -0.03 0.00 -1.16 0.00 0.00 32.46 30.99 2akw n ARG 454 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2akw s LEU 455 N -3.06 3.64 0.23 0.55 1.43 -1.26 -4.86 118.68 115.35 2akw s LEU 455 Ca 0.00 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2akw s LEU 455 Cb 0.00 -2.28 0.23 0.00 0.03 0.00 0.00 46.19 44.17 2akw s LEU 455 CO 0.00 -0.38 1.77 -0.08 0.23 0.00 0.00 176.35 177.88 2akw h GLU 456 N 1.18 1.04 -0.90 1.70 4.81 -1.95 -1.72 114.58 118.74 2akw h GLU 456 Ca -0.45 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 58.60 2akw h GLU 456 Cb 1.25 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 2akw h GLU 456 CO 0.57 0.91 0.59 0.93 -0.73 0.00 0.00 179.01 181.28 2akw h GLU 457 N 0.99 1.07 -0.90 1.92 3.07 -1.95 0.59 114.58 119.37 2akw h GLU 457 Ca 0.21 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 59.06 2akw h GLU 457 Cb 0.33 -0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 27.94 2akw h GLU 457 CO -0.00 0.71 0.59 -0.44 -1.40 0.00 0.00 179.01 178.47 2akw h ASP 458 N 1.11 0.94 0.29 1.42 3.32 -1.68 -1.07 116.42 120.74 2akw h ASP 458 Ca 0.37 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.23 2akw h ASP 458 Cb 0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2akw h ASP 458 CO -0.12 0.62 -0.73 -0.07 -1.72 0.00 0.00 179.24 177.23 2akw h LEU 459 N 1.08 0.44 -1.15 1.55 -0.00 -0.65 -2.88 115.31 113.70 2akw h LEU 459 Ca 0.38 -0.29 -0.08 0.00 -0.00 0.00 0.00 57.88 57.88 2akw h LEU 459 Cb 0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2akw h LEU 459 CO -0.13 1.03 -0.39 -0.37 -0.00 0.00 0.00 178.44 178.58 2akw h VAL 460 N 0.25 1.10 -0.00 1.22 -1.51 -0.06 -1.34 116.25 115.91 2akw h VAL 460 Ca -0.03 -1.42 -0.11 0.00 -1.23 0.00 0.00 66.70 63.91 2akw h VAL 460 Cb 1.30 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 32.24 2akw h VAL 460 CO 0.12 0.38 -0.53 -0.08 -1.23 0.00 0.00 177.57 176.24 2akw h GLU 461 N 0.00 0.01 -0.32 5.19 4.81 -1.16 -1.06 114.58 122.05 2akw h GLU 461 Ca -0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2akw h GLU 461 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2akw h GLU 461 CO 0.05 0.54 0.12 0.93 -0.73 0.00 0.00 179.01 179.92 2akw h GLU 462 N 0.01 0.49 -0.60 1.92 4.39 -1.05 -0.75 114.58 118.99 2akw h GLU 462 Ca -0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2akw h GLU 462 Cb 0.94 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2akw h GLU 462 CO 0.07 0.51 0.35 0.28 -1.16 0.00 0.00 179.01 179.05 2akw h VAL 463 N 0.37 1.18 0.18 3.13 2.07 -1.14 -2.34 116.25 119.71 2akw h VAL 463 Ca 0.11 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2akw h VAL 463 Cb 0.21 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2akw h VAL 463 CO -0.01 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.69 2akw h ALA 464 N 1.17 -0.24 -0.76 1.67 0.00 -0.83 -0.94 119.26 119.34 2akw h ALA 464 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2akw h ALA 464 Cb 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2akw h ALA 464 CO -0.04 -0.59 0.37 0.07 0.00 0.00 0.00 179.25 179.07 2akw h ARG 465 N -0.33 1.07 0.00 0.00 0.11 -1.11 1.31 114.38 115.44 2akw h ARG 465 Ca -0.02 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 59.80 2akw h ARG 465 Cb 0.25 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 2akw h ARG 465 CO 0.04 0.82 -0.52 0.82 0.10 0.00 0.00 179.97 181.23 2akw h ILE 466 N 1.07 1.02 0.03 0.08 1.08 -1.37 -2.75 117.51 116.67 2akw h ILE 466 Ca 0.26 -2.04 -0.25 0.00 -0.39 0.00 0.00 64.86 62.44 2akw h ILE 466 Cb 0.09 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 2akw h ILE 466 CO -0.04 0.50 -1.24 1.56 -0.69 0.00 0.00 178.15 178.25 2akw h GLN 467 N 0.00 0.06 0.00 2.37 1.08 -0.67 -3.47 115.11 114.48 2akw h GLN 467 Ca -0.01 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2akw h GLN 467 Cb 1.19 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2akw h GLN 467 CO 0.07 0.93 0.00 0.41 -0.95 0.00 0.00 178.83 179.29 2akw n GLY 468 N 1.45 1.40 0.37 3.46 0.00 0.45 -4.63 105.19 107.69 2akw n GLY 468 Ca -0.06 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 44.99 2akw n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2akw h TYR 469 N 0.00 0.00 0.00 1.61 -1.99 -1.80 0.71 116.97 115.50 2akw h TYR 469 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2akw h TYR 469 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2akw h TYR 469 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 178.16 177.31 2akw n GLU 470 N -2.96 0.12 -0.02 4.88 -0.00 -1.26 -2.63 120.64 118.77 2akw n GLU 470 Ca 0.04 0.18 0.13 0.00 -0.00 0.00 0.00 57.16 57.52 2akw n GLU 470 Cb 0.80 -1.66 0.49 0.00 -0.00 0.00 0.00 31.44 31.07 2akw n GLU 470 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2akw n THR 471 N -1.88 0.05 -2.93 3.84 -2.24 0.25 -4.75 114.28 106.62 2akw n THR 471 Ca 0.05 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 2akw n THR 471 Cb 0.32 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 2akw n THR 471 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2akw s ILE 472 N -1.95 4.86 0.95 2.28 1.01 -1.08 -4.95 121.20 122.33 2akw s ILE 472 Ca 0.37 1.50 -0.12 0.00 0.00 0.00 0.00 60.65 62.39 2akw s ILE 472 Cb 0.20 -4.09 0.16 0.00 0.01 0.00 0.00 42.46 38.75 2akw s ILE 472 CO 0.32 -0.06 1.10 -2.16 0.00 0.00 0.00 174.94 174.14 2akw s PRO 473 N 2.79 0.79 -0.03 2.79 0.04 -1.26 -5.04 135.00 135.07 2akw s PRO 473 Ca 0.33 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 2akw s PRO 473 Cb -0.15 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2akw s PRO 473 CO 0.07 -2.51 0.18 -0.51 0.04 0.00 0.00 177.00 174.28 2akw s LEU 474 N -6.33 4.38 0.20 -3.56 1.02 -1.26 -5.03 118.68 108.09 2akw s LEU 474 Ca 0.64 0.39 -0.21 0.00 0.02 0.00 0.00 54.13 54.97 2akw s LEU 474 Cb -0.18 -2.51 0.05 0.00 0.02 0.00 0.00 46.19 43.57 2akw s LEU 474 CO 0.57 0.29 0.61 0.00 0.02 0.00 0.00 176.35 177.85 2akw s ALA 475 N -1.26 -1.35 -0.04 4.21 0.00 -1.26 -5.16 121.76 116.89 2akw s ALA 475 Ca 0.25 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2akw s ALA 475 Cb -0.13 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2akw s ALA 475 CO 0.15 -0.85 -0.20 -0.51 0.00 0.00 0.00 175.76 174.36 2akw s LEU 476 N -2.82 1.97 0.43 0.00 1.43 -1.26 -5.14 118.68 113.30 2akw s LEU 476 Ca 0.05 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2akw s LEU 476 Cb -0.02 -1.09 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 2akw s LEU 476 CO -0.05 0.19 0.87 -2.16 0.23 0.00 0.00 176.35 175.42 2akw s PRO 477 N -0.08 3.95 -0.03 1.29 0.04 -1.26 -5.08 135.00 133.83 2akw s PRO 477 Ca -0.02 0.78 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2akw s PRO 477 Cb -0.12 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2akw s PRO 477 CO 0.02 -0.09 -0.14 0.00 0.04 0.00 0.00 177.00 176.83 2akw s ALA 478 N -2.37 1.26 0.00 8.56 0.00 -1.26 -5.13 121.76 122.82 2akw s ALA 478 Ca 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2akw s ALA 478 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2akw s ALA 478 CO 0.26 0.26 0.00 1.97 0.00 0.00 0.00 175.76 178.25 2akw n PHE 479 N 3.00 0.00 -3.14 0.00 1.16 -1.26 -5.11 117.46 112.12 2akw n PHE 479 Ca -0.17 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.01 2akw n PHE 479 Cb 0.54 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.34 2akw n PHE 479 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 2akw s PHE 480 N -2.00 3.23 0.50 2.97 0.08 -1.26 -5.02 117.98 116.48 2akw s PHE 480 Ca 0.00 0.62 -0.23 0.00 0.12 0.00 0.00 56.93 57.44 2akw s PHE 480 Cb 0.00 -2.91 -0.06 0.00 -0.57 0.00 0.00 43.02 39.48 2akw s PHE 480 CO 0.00 -0.42 1.31 -1.25 -0.10 0.00 0.00 175.22 174.77 2akw s PRO 481 N 2.53 3.44 0.50 0.24 0.04 -1.26 -4.93 135.00 135.55 2akw s PRO 481 Ca 0.24 2.13 -0.23 0.00 0.04 0.00 0.00 61.00 63.19 2akw s PRO 481 Cb -0.15 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 2akw s PRO 481 CO 0.11 -0.91 1.26 0.00 0.04 0.00 0.00 177.00 177.50 2akw n ALA 482 N -0.68 1.26 -0.27 8.56 0.00 -1.26 -4.91 120.51 123.21 2akw n ALA 482 Ca 0.08 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.77 2akw n ALA 482 Cb 0.45 -2.28 0.21 0.00 0.00 0.00 0.00 19.45 17.83 2akw n ALA 482 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2akw h PRO 483 N 1.59 0.17 0.00 0.00 0.11 -2.02 -2.04 132.00 129.82 2akw h PRO 483 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2akw h PRO 483 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2akw h PRO 483 CO 0.57 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2akw n ASP 484 N -5.26 0.00 -0.60 -2.05 5.68 -1.26 -1.85 116.55 111.21 2akw n ASP 484 Ca 0.16 -0.60 0.09 0.00 -0.50 0.00 0.00 54.79 53.95 2akw n ASP 484 Cb 0.54 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.57 2akw n ASP 484 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2akw n ASN 485 N -0.63 2.20 -4.76 -1.12 3.02 -0.76 -4.90 115.26 108.31 2akw n ASN 485 Ca 0.02 -1.60 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 2akw n ASN 485 Cb 0.01 0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 2akw n ASN 485 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2akw s ARG 486 N -1.72 4.41 -1.09 3.52 1.81 -0.77 -3.07 118.95 122.03 2akw s ARG 486 Ca 0.19 2.10 0.00 0.00 -1.72 0.00 0.00 55.73 56.29 2akw s ARG 486 Cb 0.15 -3.13 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 2akw s ARG 486 CO 0.31 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.20 2akw n GLY 487 N 1.43 0.98 0.18 -3.53 0.00 -1.26 -4.78 105.19 98.21 2akw n GLY 487 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2akw n GLY 487 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2akw h VAL 488 N 0.00 0.00 -0.02 1.61 3.04 -1.89 -0.71 116.25 118.28 2akw h VAL 488 Ca -0.21 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2akw h VAL 488 Cb 0.95 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2akw h VAL 488 CO 0.31 0.00 -0.27 -1.84 -1.01 0.00 0.00 177.57 174.76 2akw n GLU 489 N -2.37 1.38 -0.13 4.17 0.28 -1.26 -4.51 120.64 118.21 2akw n GLU 489 Ca -0.01 -1.03 -0.11 0.00 -0.16 0.00 0.00 57.16 55.84 2akw n GLU 489 Cb 0.06 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.39 2akw n GLU 489 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2akw h ALA 490 N 4.04 -0.53 -0.47 -1.84 0.00 -1.51 -0.46 119.26 118.50 2akw h ALA 490 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2akw h ALA 490 Cb 0.70 0.96 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 2akw h ALA 490 CO 0.00 -0.92 -0.41 -1.35 0.00 0.00 0.00 179.25 176.57 2akw h PRO 491 N -0.36 -0.26 -0.72 0.00 0.11 -1.81 0.24 132.00 129.20 2akw h PRO 491 Ca 0.12 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.30 2akw h PRO 491 Cb 0.59 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.71 2akw h PRO 491 CO -0.58 -0.18 0.42 -0.92 -0.21 0.00 0.00 178.00 176.54 2akw h TYR 492 N -0.27 0.79 -0.69 0.65 5.03 -1.71 -1.83 116.97 118.94 2akw h TYR 492 Ca 0.16 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.45 2akw h TYR 492 Cb 0.57 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 2akw h TYR 492 CO -0.63 0.40 0.23 0.00 -1.32 0.00 0.00 178.16 176.84 2akw h ARG 493 N 0.79 1.05 -0.26 1.82 3.08 0.12 -2.55 114.38 118.44 2akw h ARG 493 Ca 0.31 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2akw h ARG 493 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2akw h ARG 493 CO -0.16 0.88 0.14 -0.22 -1.07 0.00 0.00 179.97 179.55 2akw h LYS 494 N 1.01 0.29 0.00 0.04 3.64 0.27 -1.98 116.57 119.84 2akw h LYS 494 Ca 0.23 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2akw h LYS 494 Cb 0.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2akw h LYS 494 CO -0.01 0.19 -0.34 1.49 -2.27 0.00 0.00 179.45 178.50 2akw h GLU 495 N 0.29 0.00 -0.27 1.90 4.81 -1.38 -2.70 114.58 117.23 2akw h GLU 495 Ca 0.10 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2akw h GLU 495 Cb 0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2akw h GLU 495 CO -0.06 0.34 -0.19 0.37 -0.73 0.00 0.00 179.01 178.74 2akw h GLN 496 N 0.00 0.60 -0.54 1.92 5.75 -0.99 -2.27 115.11 119.59 2akw h GLN 496 Ca -0.00 -0.29 0.05 0.00 -0.15 0.00 0.00 58.65 58.25 2akw h GLN 496 Cb 0.69 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 2akw h GLN 496 CO 0.04 0.88 0.28 0.00 -2.65 0.00 0.00 178.83 177.38 2akw h ARG 497 N 0.33 0.52 -0.37 1.69 2.47 -1.23 -1.03 114.38 116.77 2akw h ARG 497 Ca 0.05 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.81 2akw h ARG 497 Cb 0.73 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.86 2akw h ARG 497 CO 0.05 0.34 -0.10 1.25 0.56 0.00 0.00 179.97 182.08 2akw h LEU 498 N 0.54 -0.37 -0.62 3.04 5.85 -1.29 0.37 115.31 122.82 2akw h LEU 498 Ca 0.24 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2akw h LEU 498 Cb 0.14 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2akw h LEU 498 CO -0.16 -0.13 0.40 0.03 -0.34 0.00 0.00 178.44 178.24 2akw h ARG 499 N -0.01 0.83 -0.61 1.25 3.08 -0.88 -1.88 114.38 116.16 2akw h ARG 499 Ca 0.18 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 2akw h ARG 499 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2akw h ARG 499 CO -0.39 0.57 0.03 0.93 -1.07 0.00 0.00 179.97 180.04 2akw h GLU 500 N 0.84 1.04 -0.54 0.04 5.08 0.12 -1.31 114.58 119.86 2akw h GLU 500 Ca 0.23 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2akw h GLU 500 Cb -0.07 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2akw h GLU 500 CO -0.05 1.00 -0.09 0.28 -1.00 0.00 0.00 179.01 179.16 2akw h VAL 501 N 0.96 1.27 -0.16 3.13 2.07 -0.17 -2.06 116.25 121.28 2akw h VAL 501 Ca 0.18 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.47 2akw h VAL 501 Cb 0.51 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2akw h VAL 501 CO 0.02 0.44 0.08 -0.07 0.02 0.00 0.00 177.57 178.07 2akw h LEU 502 N 0.90 0.13 -1.90 2.57 3.38 -1.02 0.12 115.31 119.48 2akw h LEU 502 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2akw h LEU 502 Cb 0.64 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2akw h LEU 502 CO 0.04 0.10 -0.12 0.77 0.09 0.00 0.00 178.44 179.32 2akw h SER 503 N 0.18 0.00 1.34 -0.43 4.64 -1.13 -1.53 113.55 116.62 2akw h SER 503 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2akw h SER 503 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2akw h SER 503 CO -0.04 0.12 -0.68 1.23 -0.87 0.00 0.00 176.83 176.59 2akw h GLY 504 N 0.80 0.00 1.85 -0.77 0.00 -0.58 -3.29 103.07 101.08 2akw h GLY 504 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2akw h GLY 504 CO 0.02 0.00 -0.76 -2.00 0.00 0.00 0.00 176.54 173.80 2akw h LEU 505 N 0.00 0.00 0.00 3.11 6.46 0.14 -3.48 115.31 121.54 2akw h LEU 505 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2akw h LEU 505 Cb 1.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2akw h LEU 505 CO 0.01 0.63 0.00 0.61 -0.62 0.00 0.00 178.44 179.08 2akw n GLY 506 N 1.28 0.81 3.77 3.75 0.00 -0.80 -5.09 105.19 108.91 2akw n GLY 506 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2akw n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2akw s PHE 507 N -0.17 3.35 -0.23 1.61 0.40 -0.69 -4.86 117.98 117.40 2akw s PHE 507 Ca 0.00 1.62 -0.08 0.00 -0.60 0.00 0.00 56.93 57.87 2akw s PHE 507 Cb 0.00 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 2akw s PHE 507 CO 0.00 -0.91 0.10 -1.14 0.70 0.00 0.00 175.22 173.96 2akw s GLN 508 N -1.82 3.87 0.36 0.44 2.00 -0.22 -4.01 119.66 120.28 2akw s GLN 508 Ca 0.50 -0.38 -0.26 0.00 -2.00 0.00 0.00 55.36 53.22 2akw s GLN 508 Cb -0.31 -3.36 -0.09 0.00 0.80 0.00 0.00 33.01 30.05 2akw s GLN 508 CO 0.40 0.02 1.05 -2.00 -0.50 0.00 0.00 175.29 174.26 2akw s GLU 509 N 1.10 4.32 -0.01 1.67 2.12 -1.26 -1.04 118.70 125.61 2akw s GLU 509 Ca 0.05 1.58 0.00 0.00 0.36 0.00 0.00 54.97 56.96 2akw s GLU 509 Cb -0.14 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.52 2akw s GLU 509 CO 0.04 -0.01 -0.00 0.08 -0.54 0.00 0.00 175.26 174.82 2akw s VAL 510 N -1.52 0.06 -0.19 3.70 1.01 -0.11 -4.90 120.40 118.45 2akw s VAL 510 Ca 0.54 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 2akw s VAL 510 Cb -0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 2akw s VAL 510 CO 0.31 0.04 0.04 -0.31 0.00 0.00 0.00 175.10 175.19 2akw s TYR 511 N 0.26 3.17 -0.01 5.22 1.51 -1.26 -4.50 117.35 121.74 2akw s TYR 511 Ca -0.02 -0.11 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2akw s TYR 511 Cb -0.04 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 2akw s TYR 511 CO -0.01 -0.00 -0.18 0.99 -1.11 0.00 0.00 175.55 175.24 2akw s THR 512 N 0.66 1.46 0.30 -0.71 2.01 -1.26 -5.11 115.64 112.98 2akw s THR 512 Ca 0.02 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 60.93 2akw s THR 512 Cb -0.13 -1.22 -0.14 0.00 0.01 0.00 0.00 72.50 71.02 2akw s THR 512 CO 0.02 0.38 0.89 -1.22 -0.69 0.00 0.00 174.62 174.01 2akw n TYR 513 N 2.55 0.84 0.49 4.92 4.01 -1.26 -4.86 117.16 123.86 2akw n TYR 513 Ca -0.15 0.72 0.08 0.00 -0.16 0.00 0.00 57.90 58.39 2akw n TYR 513 Cb 0.54 -2.18 0.36 0.00 -0.31 0.00 0.00 39.34 37.74 2akw n TYR 513 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2akw n SER 514 N 1.28 0.15 -4.19 7.72 7.64 -1.26 -4.80 113.62 120.16 2akw n SER 514 Ca 0.11 0.54 -0.30 0.00 1.01 0.00 0.00 58.87 60.23 2akw n SER 514 Cb 0.32 -0.57 0.20 0.00 -1.01 0.00 0.00 64.21 63.15 2akw n SER 514 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2akw s PHE 515 N -3.07 1.39 -0.02 1.43 0.08 -1.26 -1.94 117.98 114.59 2akw s PHE 515 Ca 0.07 0.55 -0.22 0.00 0.12 0.00 0.00 56.93 57.45 2akw s PHE 515 Cb 0.10 -3.63 0.04 0.00 -0.57 0.00 0.00 43.02 38.96 2akw s PHE 515 CO 0.30 -3.10 0.47 1.41 -0.10 0.00 0.00 175.22 174.21 2akw s MET 516 N -5.50 0.86 -0.32 0.44 -2.45 0.81 -3.97 119.30 109.17 2akw s MET 516 Ca 0.70 -0.03 -0.16 0.00 -1.25 0.00 0.00 55.69 54.94 2akw s MET 516 Cb -0.10 0.39 -0.02 0.00 1.25 0.00 0.00 34.83 36.36 2akw s MET 516 CO 0.54 -0.26 0.43 0.34 1.05 0.00 0.00 175.02 177.12 2akw s ASP 517 N -1.36 6.26 0.55 1.11 -1.08 -0.92 -1.87 116.67 119.35 2akw s ASP 517 Ca -0.11 -0.01 0.42 0.00 -0.52 0.00 0.00 52.55 52.33 2akw s ASP 517 Cb -0.03 -2.23 1.63 0.00 -1.46 0.00 0.00 42.92 40.83 2akw s ASP 517 CO 0.06 -0.35 1.71 -0.65 0.52 0.00 0.00 175.17 176.45 2akw h PRO 518 N 8.38 0.00 -0.27 4.34 0.11 -1.82 0.17 132.00 142.90 2akw h PRO 518 Ca -0.29 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 2akw h PRO 518 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2akw h PRO 518 CO 0.71 0.00 -0.46 1.49 -0.21 0.00 0.00 178.00 179.53 2akw h GLU 519 N 0.00 0.70 0.00 1.05 4.57 -1.92 -2.80 114.58 116.18 2akw h GLU 519 Ca 0.72 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 2akw h GLU 519 Cb 2.90 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.52 2akw h GLU 519 CO -0.01 1.01 0.10 -0.44 -1.18 0.00 0.00 179.01 178.50 2akw h ASP 520 N 0.56 0.00 -0.78 1.04 5.19 -1.08 0.71 116.42 122.06 2akw h ASP 520 Ca 0.03 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2akw h ASP 520 Cb 1.02 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.49 2akw h ASP 520 CO 0.10 0.00 0.37 0.00 -3.12 0.00 0.00 179.24 176.59 2akw h ALA 521 N 1.77 1.01 0.05 3.45 0.00 -1.58 0.12 119.26 124.08 2akw h ALA 521 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2akw h ALA 521 Cb 0.20 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2akw h ALA 521 CO 0.00 0.58 -0.35 -0.09 0.00 0.00 0.00 179.25 179.39 2akw h ARG 522 N 1.10 0.10 0.11 0.00 2.43 0.15 0.29 114.38 118.57 2akw h ARG 522 Ca 0.27 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2akw h ARG 522 Cb 0.13 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 2akw h ARG 522 CO -0.03 1.09 -0.50 0.00 -1.51 0.00 0.00 179.97 179.01 2akw h ARG 523 N -0.78 -0.69 -0.18 0.20 3.08 -0.72 -2.34 114.38 112.95 2akw h ARG 523 Ca -0.07 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2akw h ARG 523 Cb 1.24 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2akw h ARG 523 CO 0.04 -0.46 0.00 1.19 -1.07 0.00 0.00 179.97 179.67 2akw n PHE 524 N -5.48 0.24 -3.16 3.04 3.72 0.40 -4.90 117.46 111.31 2akw n PHE 524 Ca -0.08 -0.12 -0.04 0.00 -0.05 0.00 0.00 57.45 57.17 2akw n PHE 524 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2akw n PHE 524 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2akw n ARG 525 N 0.04 -1.36 -4.19 -1.08 1.74 -0.88 -4.23 116.66 106.69 2akw n ARG 525 Ca 0.09 1.40 -0.13 0.00 -0.77 0.00 0.00 57.85 58.44 2akw n ARG 525 Cb 0.18 -5.27 -0.10 0.00 -1.02 0.00 0.00 32.46 26.25 2akw n ARG 525 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2akw s LEU 526 N -4.12 2.47 0.80 0.55 1.43 0.10 -4.11 118.68 115.80 2akw s LEU 526 Ca 0.00 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 2akw s LEU 526 Cb -0.00 -0.24 0.08 0.00 0.03 0.00 0.00 46.19 46.06 2akw s LEU 526 CO 0.77 -0.34 1.13 -1.81 0.23 0.00 0.00 176.35 176.32 2akw s ASP 527 N -2.82 4.00 0.55 2.29 1.11 -1.26 -4.56 116.67 115.98 2akw s ASP 527 Ca 0.10 2.03 -0.21 0.00 0.18 0.00 0.00 52.55 54.66 2akw s ASP 527 Cb 0.01 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2akw s ASP 527 CO -0.01 -2.38 1.26 -2.16 1.18 0.00 0.00 175.17 173.05 2akw s PRO 528 N -4.61 3.19 0.23 8.23 0.04 -1.26 -4.92 135.00 135.90 2akw s PRO 528 Ca 0.65 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 63.36 2akw s PRO 528 Cb -0.21 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 2akw s PRO 528 CO 0.54 -1.07 1.56 -2.14 0.04 0.00 0.00 177.00 175.93 2akw s PRO 529 N -3.04 4.19 0.09 0.56 0.02 -1.26 -4.94 135.00 130.63 2akw s PRO 529 Ca 0.73 2.44 -0.08 0.00 0.02 0.00 0.00 61.00 64.10 2akw s PRO 529 Cb -0.34 -3.09 -0.19 0.00 0.02 0.00 0.00 34.50 30.90 2akw s PRO 529 CO 0.39 -0.58 1.21 -0.09 -0.33 0.00 0.00 177.00 177.60 2akw h ARG 530 N 5.76 0.49 -5.71 5.54 2.43 -1.84 -3.45 114.38 117.60 2akw h ARG 530 Ca -0.45 -0.59 -0.66 0.00 -0.81 0.00 0.00 59.98 57.47 2akw h ARG 530 Cb 1.21 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 30.82 2akw h ARG 530 CO 0.85 1.23 -0.57 -0.51 -1.51 0.00 0.00 179.97 179.46 2akw s LEU 531 N -7.73 3.87 0.20 3.80 1.43 -1.26 -5.07 118.68 113.91 2akw s LEU 531 Ca -0.07 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2akw s LEU 531 Cb 0.07 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2akw s LEU 531 CO 0.89 0.34 -0.13 -0.76 0.23 0.00 0.00 176.35 176.92 2akw s LEU 532 N -0.64 2.54 -0.22 1.79 1.43 -1.26 -2.29 118.68 120.03 2akw s LEU 532 Ca 0.11 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 2akw s LEU 532 Cb -0.12 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2akw s LEU 532 CO 0.02 -0.21 0.30 -0.76 0.23 0.00 0.00 176.35 175.93 2akw s LEU 533 N -3.30 4.13 0.40 1.79 1.02 0.91 -4.94 118.68 118.69 2akw s LEU 533 Ca 0.22 0.33 0.18 0.00 0.02 0.00 0.00 54.13 54.88 2akw s LEU 533 Cb 0.00 -2.34 0.82 0.00 0.02 0.00 0.00 46.19 44.69 2akw s LEU 533 CO 0.06 -0.02 1.81 -0.07 0.02 0.00 0.00 176.35 178.15 2akw h LEU 534 N 7.65 0.00 -6.14 1.79 3.38 -2.00 -3.35 115.31 116.64 2akw h LEU 534 Ca -0.37 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.03 2akw h LEU 534 Cb 1.17 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.53 2akw h LEU 534 CO 0.69 0.34 -1.03 -0.46 0.09 0.00 0.00 178.44 178.07 2akw n ASN 535 N -3.70 0.27 -4.76 -0.43 6.94 -1.26 -5.13 115.26 107.18 2akw n ASN 535 Ca -0.01 -2.66 -0.31 0.00 -0.02 0.00 0.00 54.58 51.59 2akw n ASN 535 Cb 0.44 -0.62 0.10 0.00 -2.36 0.00 0.00 39.78 37.34 2akw n ASN 535 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2akw s PRO 536 N -0.92 2.03 0.37 -0.53 0.04 -1.26 -4.94 135.00 129.79 2akw s PRO 536 Ca 0.34 0.99 0.20 0.00 0.04 0.00 0.00 61.00 62.57 2akw s PRO 536 Cb 0.13 -1.88 0.52 0.00 0.04 0.00 0.00 34.50 33.30 2akw s PRO 536 CO -0.13 -1.75 1.65 -0.07 0.04 0.00 0.00 177.00 176.74 2akw h LEU 537 N -1.20 0.00 -7.24 -3.56 3.38 -1.99 -3.46 115.31 101.24 2akw h LEU 537 Ca -0.46 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.67 2akw h LEU 537 Cb 1.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 2akw h LEU 537 CO 0.54 0.34 0.54 0.00 0.09 0.00 0.00 178.44 179.94 2akw s ALA 538 N -3.35 -1.81 0.01 1.53 0.00 -1.26 -5.03 121.76 111.84 2akw s ALA 538 Ca 0.02 0.74 0.32 0.00 0.00 0.00 0.00 51.96 53.04 2akw s ALA 538 Cb 0.09 0.45 1.32 0.00 0.00 0.00 0.00 23.12 24.97 2akw s ALA 538 CO 0.69 -0.83 1.94 -1.00 0.00 0.00 0.00 175.76 176.57 2akw h PRO 539 N 2.00 0.00 0.00 0.00 0.13 -1.98 -1.84 132.00 130.30 2akw h PRO 539 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2akw h PRO 539 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2akw h PRO 539 CO 0.28 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.44 2akw n GLU 540 N -2.94 0.18 -1.01 0.86 4.71 -1.26 -2.77 120.64 118.41 2akw n GLU 540 Ca 0.01 0.23 0.01 0.00 -0.01 0.00 0.00 57.16 57.40 2akw n GLU 540 Cb 0.29 -1.75 0.15 0.00 -1.01 0.00 0.00 31.44 29.12 2akw n GLU 540 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2akw n LYS 541 N -2.07 1.72 0.07 3.49 5.02 -0.72 -2.16 118.16 123.51 2akw n LYS 541 Ca 0.05 -3.29 0.13 0.00 -2.02 0.00 0.00 58.31 53.18 2akw n LYS 541 Cb 0.35 -1.52 0.37 0.00 -0.02 0.00 0.00 35.03 34.21 2akw n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2akw n ALA 542 N -0.83 2.50 -2.65 7.82 0.00 -1.03 -4.48 120.51 121.84 2akw n ALA 542 Ca 0.21 -0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 2akw n ALA 542 Cb 0.80 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 2akw n ALA 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2akw s ALA 543 N -3.10 3.39 -0.21 0.00 0.00 -0.78 -0.07 121.76 120.99 2akw s ALA 543 Ca 0.10 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.28 2akw s ALA 543 Cb 0.14 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2akw s ALA 543 CO 0.62 -0.11 0.05 -0.51 0.00 0.00 0.00 175.76 175.81 2akw s LEU 544 N -3.74 3.52 0.26 0.00 1.43 -0.97 -0.13 118.68 119.04 2akw s LEU 544 Ca 0.26 -0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 2akw s LEU 544 Cb 0.07 -1.91 -0.15 0.00 0.03 0.00 0.00 46.19 44.23 2akw s LEU 544 CO 0.13 0.07 0.79 -2.11 0.23 0.00 0.00 176.35 175.46 2akw n ARG 545 N 4.25 0.78 -0.02 1.70 1.85 -0.82 -4.72 116.66 119.69 2akw n ARG 545 Ca -0.16 0.27 0.04 0.00 -1.00 0.00 0.00 57.85 57.00 2akw n ARG 545 Cb 0.52 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.33 2akw n ARG 545 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2akw n THR 546 N 0.09 0.21 -4.20 8.89 -2.24 -1.26 -1.35 114.28 114.42 2akw n THR 546 Ca 0.13 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 2akw n THR 546 Cb 0.29 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 2akw n THR 546 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2akw s HIS 547 N -2.81 1.11 -0.13 4.78 3.76 -1.26 -4.61 115.29 116.13 2akw s HIS 547 Ca -0.05 -0.72 0.19 0.00 -0.15 0.00 0.00 55.06 54.32 2akw s HIS 547 Cb 0.08 -0.60 -0.24 0.00 1.11 0.00 0.00 32.58 32.93 2akw s HIS 547 CO 0.57 0.01 0.42 -0.11 -0.85 0.00 0.00 174.74 174.78 2akw n LEU 548 N 0.23 0.27 0.03 0.89 7.94 -1.26 -4.48 117.00 120.62 2akw n LEU 548 Ca -0.14 0.12 -0.02 0.00 -1.11 0.00 0.00 56.01 54.86 2akw n LEU 548 Cb 0.59 0.23 0.23 0.00 0.53 0.00 0.00 43.42 45.00 2akw n LEU 548 CO 0.29 0.25 0.75 2.19 -1.11 0.00 0.00 177.39 179.76 2akw h PHE 549 N 0.00 0.47 -0.85 1.96 -5.15 -1.96 -3.16 116.94 108.26 2akw h PHE 549 Ca -0.28 -0.10 0.04 0.00 -0.20 0.00 0.00 57.97 57.43 2akw h PHE 549 Cb 1.70 -0.12 -0.05 0.00 0.22 0.00 0.00 35.95 37.70 2akw h PHE 549 CO 0.00 0.64 0.54 -1.35 -2.00 0.00 0.00 178.31 176.15 2akw h PRO 550 N 0.38 1.01 -0.12 6.09 0.11 -2.00 0.65 132.00 138.12 2akw h PRO 550 Ca 0.06 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2akw h PRO 550 Cb 0.64 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2akw h PRO 550 CO 0.05 0.67 -0.19 0.78 -0.21 0.00 0.00 178.00 179.10 2akw h GLY 551 N 1.04 0.20 0.81 -0.55 0.00 -1.82 -1.61 103.07 101.15 2akw h GLY 551 Ca 0.35 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 2akw h GLY 551 CO -0.13 0.12 -0.38 1.41 0.00 0.00 0.00 176.54 177.57 2akw h LEU 552 N 0.18 0.54 -1.18 3.11 3.38 -1.24 -1.35 115.31 118.75 2akw h LEU 552 Ca 0.03 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.42 2akw h LEU 552 Cb 0.44 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2akw h LEU 552 CO 0.03 1.05 0.56 0.58 0.09 0.00 0.00 178.44 180.75 2akw h VAL 553 N 0.06 1.18 0.46 1.22 2.07 -0.68 -1.53 116.25 119.03 2akw h VAL 553 Ca -0.01 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2akw h VAL 553 Cb 1.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2akw h VAL 553 CO 0.08 0.20 -0.22 0.03 0.02 0.00 0.00 177.57 177.68 2akw h ARG 554 N 1.11 -0.59 -0.96 1.57 3.08 -1.20 -2.78 114.38 114.60 2akw h ARG 554 Ca 0.32 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.68 2akw h ARG 554 Cb -0.06 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 2akw h ARG 554 CO -0.08 -0.29 0.67 -0.39 -1.07 0.00 0.00 179.97 178.82 2akw h VAL 555 N -0.90 0.55 0.45 2.04 -1.51 -0.98 0.69 116.25 116.58 2akw h VAL 555 Ca -0.06 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 2akw h VAL 555 Cb 0.58 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 2akw h VAL 555 CO 0.10 0.02 -0.22 0.25 -1.23 0.00 0.00 177.57 176.50 2akw h LEU 556 N 0.12 -0.51 0.14 4.19 5.85 -1.02 -0.77 115.31 123.31 2akw h LEU 556 Ca 0.48 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.23 2akw h LEU 556 Cb 1.68 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 2akw h LEU 556 CO -0.07 -0.36 -0.28 0.50 -0.34 0.00 0.00 178.44 177.88 2akw h LYS 557 N -0.61 -0.49 -0.46 1.25 3.11 -0.66 -0.88 116.57 117.83 2akw h LYS 557 Ca -0.06 0.03 0.13 0.00 -2.81 0.00 0.00 60.65 57.94 2akw h LYS 557 Cb 0.47 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2akw h LYS 557 CO 0.10 -0.33 0.43 0.93 -2.81 0.00 0.00 179.45 177.78 2akw h GLU 558 N -0.51 0.00 0.00 1.90 5.08 -1.20 0.36 114.58 120.20 2akw h GLU 558 Ca 0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 2akw h GLU 558 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2akw h GLU 558 CO -0.15 0.00 -1.04 -0.91 -1.00 0.00 0.00 179.01 175.91 2akw h ASN 559 N 0.00 0.00 1.01 1.42 2.35 0.17 -2.82 115.58 117.71 2akw h ASN 559 Ca 0.22 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 2akw h ASN 559 Cb 1.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 2akw h ASN 559 CO -0.00 0.86 -0.52 -0.07 -1.65 0.00 0.00 177.43 176.05 2akw h LEU 560 N 0.00 0.00 0.19 1.61 3.38 0.79 -2.60 115.31 118.68 2akw h LEU 560 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.59 2akw h LEU 560 Cb 1.71 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.48 2akw h LEU 560 CO 0.10 0.52 -1.48 0.44 0.09 0.00 0.00 178.44 178.11 2akw h ASP 561 N 0.00 0.62 0.00 -0.43 5.19 -1.14 -3.40 116.42 117.26 2akw h ASP 561 Ca -0.01 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 2akw h ASP 561 Cb 1.16 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2akw h ASP 561 CO 0.07 1.59 -0.14 0.25 -3.12 0.00 0.00 179.24 177.89 2akw h LEU 562 N 0.11 0.00-10.34 1.55 6.46 -1.58 -3.48 115.31 108.03 2akw h LEU 562 Ca -0.24 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 56.93 2akw h LEU 562 Cb 2.08 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.96 2akw h LEU 562 CO 0.22 0.52 -0.31 -1.81 -0.62 0.00 0.00 178.44 176.44 2akw s ASP 563 N -5.36 4.58 -0.51 1.25 1.01 -0.98 -5.09 116.67 111.57 2akw s ASP 563 Ca -0.04 -1.30 0.07 0.00 0.71 0.00 0.00 52.55 51.99 2akw s ASP 563 Cb 0.01 0.48 0.25 0.00 1.01 0.00 0.00 42.92 44.67 2akw s ASP 563 CO 0.06 -1.12 0.64 0.54 0.21 0.00 0.00 175.17 175.50 2akw n ARG 564 N -1.75 1.60 -1.67 8.23 3.00 -1.25 -3.68 116.66 121.13 2akw n ARG 564 Ca -0.03 -3.92 -0.45 0.00 -0.01 0.00 0.00 57.85 53.44 2akw n ARG 564 Cb 0.65 -1.72 -0.03 0.00 0.00 0.00 0.00 32.46 31.36 2akw n ARG 564 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2akw n PRO 565 N 1.10 2.12 0.06 5.56 -0.02 -1.26 -4.89 135.00 137.67 2akw n PRO 565 Ca 0.25 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.36 2akw n PRO 565 Cb 0.48 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 2akw n PRO 565 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2akw h GLU 566 N 5.00 0.42 0.00 -0.52 5.08 -1.99 -3.47 114.58 119.10 2akw h GLU 566 Ca -0.45 -0.43 -0.31 0.00 -1.00 0.00 0.00 59.36 57.17 2akw h GLU 566 Cb 1.26 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.56 2akw h GLU 566 CO 0.82 1.09 -0.28 0.54 -1.00 0.00 0.00 179.01 180.18 2akw n ARG 567 N -3.76 0.47 0.00 2.33 1.74 -1.26 -3.40 116.66 112.77 2akw n ARG 567 Ca -0.06 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.99 2akw n ARG 567 Cb 0.81 1.40 0.00 0.00 -1.02 0.00 0.00 32.46 33.65 2akw n ARG 567 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2akw n ALA 568 N -1.73 0.00 -3.85 7.54 0.00 -0.64 -4.90 120.51 116.93 2akw n ALA 568 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 2akw n ALA 568 Cb 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.67 2akw n ALA 568 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2akw s LEU 569 N 0.00 3.45 0.41 0.00 2.96 -1.26 -2.06 118.68 122.18 2akw s LEU 569 Ca 0.00 -2.19 0.08 0.00 -0.22 0.00 0.00 54.13 51.80 2akw s LEU 569 Cb 0.00 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2akw s LEU 569 CO 0.00 -0.35 0.38 -0.76 -1.32 0.00 0.00 176.35 174.30 2akw s LEU 570 N 0.88 3.43 -0.03 -0.68 1.43 0.37 -1.05 118.68 123.02 2akw s LEU 570 Ca 0.13 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 2akw s LEU 570 Cb -0.20 -2.11 0.08 0.00 0.03 0.00 0.00 46.19 43.98 2akw s LEU 570 CO -0.11 -0.62 0.70 0.72 0.23 0.00 0.00 176.35 177.27 2akw s PHE 571 N -2.45 -0.61 -0.17 0.29 -0.71 -0.21 -1.64 117.98 112.48 2akw s PHE 571 Ca 0.48 0.97 -0.15 0.00 -1.04 0.00 0.00 56.93 57.19 2akw s PHE 571 Cb -0.04 0.43 0.05 0.00 -1.21 0.00 0.00 43.02 42.25 2akw s PHE 571 CO 0.28 -0.61 0.46 -2.00 -1.34 0.00 0.00 175.22 172.00 2akw s GLU 572 N -1.52 0.52 -0.13 1.99 2.12 0.09 -0.93 118.70 120.84 2akw s GLU 572 Ca -0.08 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.91 2akw s GLU 572 Cb -0.00 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 2akw s GLU 572 CO 0.06 -0.07 -0.15 0.08 -0.54 0.00 0.00 175.26 174.64 2akw s VAL 573 N 0.37 2.85 0.13 3.70 1.01 -1.26 -1.44 120.40 125.75 2akw s VAL 573 Ca -0.01 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2akw s VAL 573 Cb -0.04 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.23 2akw s VAL 573 CO -0.01 0.53 0.68 -0.83 0.00 0.00 0.00 175.10 175.47 2akw s GLY 574 N 0.44 -0.54 0.12 4.51 0.00 -0.62 -5.00 107.32 106.23 2akw s GLY 574 Ca -0.11 0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 2akw s GLY 574 CO 0.05 0.18 1.05 0.50 0.00 0.00 0.00 173.10 174.88 2akw s ARG 575 N -3.60 4.61 0.20 2.90 3.00 -1.26 -0.77 118.95 124.02 2akw s ARG 575 Ca 0.03 1.59 0.10 0.00 0.00 0.00 0.00 55.73 57.45 2akw s ARG 575 Cb -0.01 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.55 2akw s ARG 575 CO -0.11 0.07 -0.21 0.08 0.00 0.00 0.00 175.30 175.14 2akw s VAL 576 N 0.15 2.17 -0.05 3.52 1.01 0.19 -4.93 120.40 122.46 2akw s VAL 576 Ca 0.50 -2.07 0.04 0.00 0.00 0.00 0.00 61.98 60.45 2akw s VAL 576 Cb -0.26 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2akw s VAL 576 CO 0.31 -0.25 -0.17 -0.36 0.00 0.00 0.00 175.10 174.63 2akw s PHE 577 N -2.00 1.78 0.00 5.22 0.40 -0.45 -0.75 117.98 122.18 2akw s PHE 577 Ca 0.21 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 2akw s PHE 577 Cb -0.06 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.26 2akw s PHE 577 CO 0.10 -0.21 0.00 2.89 0.70 0.00 0.00 175.22 178.69 2akw n ARG 578 N 3.29 0.00 0.00 0.44 1.85 -1.26 -4.24 116.66 116.74 2akw n ARG 578 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 2akw n ARG 578 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2akw n ARG 578 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2akw n GLU 579 N 0.00 0.00 -3.92 2.89 1.02 -1.26 -4.75 120.64 114.63 2akw n GLU 579 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2akw n GLU 579 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2akw n GLU 579 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2akw s ARG 580 N 0.00 0.56 -0.07 3.49 0.52 -1.26 -5.13 118.95 117.06 2akw s ARG 580 Ca 0.00 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 2akw s ARG 580 Cb 0.00 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 2akw s ARG 580 CO 0.00 -0.14 1.04 -2.00 0.02 0.00 0.00 175.30 174.22 2akw s GLU 581 N -2.28 4.44 0.05 3.54 2.12 -1.26 -4.62 118.70 120.68 2akw s GLU 581 Ca -0.08 1.45 0.01 0.00 0.36 0.00 0.00 54.97 56.72 2akw s GLU 581 Cb -0.03 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2akw s GLU 581 CO -0.03 -0.27 -0.06 -1.83 -0.54 0.00 0.00 175.26 172.53 2akw s GLU 582 N 1.78 0.54 -0.14 4.30 -1.05 0.08 -4.95 118.70 119.26 2akw s GLU 582 Ca 0.51 -0.87 -0.20 0.00 -0.15 0.00 0.00 54.97 54.25 2akw s GLU 582 Cb -0.20 -0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.32 2akw s GLU 582 CO 0.21 -0.00 0.58 0.99 0.95 0.00 0.00 175.26 177.99 2akw s THR 583 N -2.04 5.10 0.17 1.83 2.01 -1.26 0.56 115.64 122.00 2akw s THR 583 Ca -0.06 1.15 0.10 0.00 0.31 0.00 0.00 61.69 63.19 2akw s THR 583 Cb -0.06 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2akw s THR 583 CO -0.02 0.23 -0.18 -1.00 -0.69 0.00 0.00 174.62 172.96 2akw s HIS 584 N 1.15 2.45 -0.12 4.92 3.76 0.05 -0.26 115.29 127.24 2akw s HIS 584 Ca 0.30 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2akw s HIS 584 Cb -0.16 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.31 2akw s HIS 584 CO 0.12 0.47 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.13 2akw s LEU 585 N -2.56 1.86 0.02 0.89 2.96 0.00 -1.58 118.68 120.27 2akw s LEU 585 Ca 0.21 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2akw s LEU 585 Cb -0.09 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2akw s LEU 585 CO 0.11 0.04 -0.09 0.00 -1.32 0.00 0.00 176.35 175.09 2akw s ALA 586 N 0.92 0.71 0.07 5.97 0.00 -0.52 0.84 121.76 129.75 2akw s ALA 586 Ca -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2akw s ALA 586 Cb -0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2akw s ALA 586 CO -0.02 0.10 -0.07 0.20 0.00 0.00 0.00 175.76 175.97 2akw s GLY 587 N -0.92 0.62 -0.01 0.00 0.00 -0.39 -0.73 107.32 105.88 2akw s GLY 587 Ca -0.02 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 2akw s GLY 587 CO 0.00 -1.10 0.02 -2.27 0.00 0.00 0.00 173.10 169.75 2akw s LEU 588 N -2.24 1.55 0.34 0.66 0.20 -0.65 -1.45 118.68 117.09 2akw s LEU 588 Ca -0.00 0.03 0.08 0.00 0.69 0.00 0.00 54.13 54.93 2akw s LEU 588 Cb -0.03 -0.01 -0.04 0.00 -0.43 0.00 0.00 46.19 45.68 2akw s LEU 588 CO -0.02 -0.06 0.13 -0.22 -0.29 0.00 0.00 176.35 175.89 2akw s LEU 589 N 0.51 3.24 0.00 -0.68 2.96 0.09 -0.48 118.68 124.31 2akw s LEU 589 Ca -0.04 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 2akw s LEU 589 Cb -0.06 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2akw s LEU 589 CO -0.01 -0.29 0.00 0.33 -1.32 0.00 0.00 176.35 175.05 2akw n PHE 590 N -1.13 0.00 0.00 5.38 7.35 -0.88 -2.96 117.46 125.22 2akw n PHE 590 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 2akw n PHE 590 Cb 0.61 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.44 2akw n PHE 590 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2akw n GLY 591 N -0.21 -1.69 0.36 7.13 0.00 -1.26 -1.62 105.19 107.90 2akw n GLY 591 Ca 0.00 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 2akw n GLY 591 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2akw h GLU 592 N 2.28 -0.85 0.00 1.61 4.11 -1.97 -3.44 114.58 116.31 2akw h GLU 592 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2akw h GLU 592 Cb 0.00 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2akw h GLU 592 CO 0.00 -0.56 0.00 0.41 0.07 0.00 0.00 179.01 178.93 2akw n GLY 593 N -1.42 0.74 3.81 1.06 0.00 -1.26 -4.46 105.19 103.65 2akw n GLY 593 Ca -0.13 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 2akw n GLY 593 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2akw s VAL 594 N -1.37 5.24 -2.62 1.61 1.01 0.11 -4.86 120.40 119.52 2akw s VAL 594 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2akw s VAL 594 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2akw s VAL 594 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2akw n GLY 595 N 2.38 -0.59 3.55 4.51 0.00 -1.26 0.30 105.19 114.08 2akw n GLY 595 Ca -0.15 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2akw n GLY 595 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2akw s LEU 596 N 0.00 3.76 0.29 0.99 1.43 -1.26 -4.99 118.68 118.89 2akw s LEU 596 Ca 0.00 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2akw s LEU 596 Cb 0.00 -2.00 0.71 0.00 0.03 0.00 0.00 46.19 44.93 2akw s LEU 596 CO 0.00 0.02 1.65 -0.65 0.23 0.00 0.00 176.35 177.60 2akw h PRO 597 N 7.81 0.21 -0.00 1.29 0.11 -1.99 0.21 132.00 139.64 2akw h PRO 597 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2akw h PRO 597 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2akw h PRO 597 CO 0.61 0.14 -0.34 -2.67 -0.21 0.00 0.00 178.00 175.52 2akw n TRP 598 N -5.22 0.00 -1.62 0.65 4.27 -1.26 -4.89 117.44 109.37 2akw n TRP 598 Ca 0.21 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.82 2akw n TRP 598 Cb 0.68 -0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.37 2akw n TRP 598 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2akw n ALA 599 N -1.30 0.00 0.00 -1.67 0.00 0.73 -5.10 120.51 113.17 2akw n ALA 599 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2akw n ALA 599 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2akw n ALA 599 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2akw n LYS 600 N 0.00 0.00 -1.61 0.00 0.00 -1.26 -4.85 118.16 110.43 2akw n LYS 600 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.85 2akw n LYS 600 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 35.03 34.66 2akw n LYS 600 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2akw n GLU 601 N -2.24 1.50 -3.88 -1.58 4.71 -1.26 -4.94 120.64 112.95 2akw n GLU 601 Ca 0.00 0.53 -0.09 0.00 -0.01 0.00 0.00 57.16 57.59 2akw n GLU 601 Cb 0.13 -2.01 -0.07 0.00 -1.01 0.00 0.00 31.44 28.47 2akw n GLU 601 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2akw s ARG 602 N -1.05 0.88 -0.19 3.49 0.52 -1.26 -4.22 118.95 117.10 2akw s ARG 602 Ca 0.64 -0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2akw s ARG 602 Cb -0.72 0.34 -0.00 0.00 0.52 0.00 0.00 34.95 35.09 2akw s ARG 602 CO 0.56 -0.28 -0.11 -0.51 0.02 0.00 0.00 175.30 174.98 2akw s LEU 603 N -2.88 2.62 0.00 2.53 1.43 0.15 -4.93 118.68 117.59 2akw s LEU 603 Ca 0.07 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2akw s LEU 603 Cb 0.05 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2akw s LEU 603 CO -0.10 0.01 0.09 -1.54 0.23 0.00 0.00 176.35 175.04 2akw n SER 604 N 4.55 -0.19 -0.19 2.29 3.41 -1.26 0.06 113.62 122.30 2akw n SER 604 Ca -0.19 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2akw n SER 604 Cb 0.51 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2akw n SER 604 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2akw n GLY 605 N -0.06 -0.52 0.24 5.00 0.00 -1.26 -3.54 105.19 105.05 2akw n GLY 605 Ca -0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2akw n GLY 605 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2akw n TYR 606 N -0.38 -0.25 0.20 1.61 9.36 -1.26 -0.50 117.16 125.95 2akw n TYR 606 Ca 0.00 0.70 0.10 0.00 3.32 0.00 0.00 57.90 62.03 2akw n TYR 606 Cb 0.00 -0.52 0.52 0.00 -0.63 0.00 0.00 39.34 38.71 2akw n TYR 606 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2akw n PHE 607 N -4.31 0.68 -0.04 2.98 3.72 -1.26 -0.19 117.46 119.04 2akw n PHE 607 Ca 0.01 0.34 -0.13 0.00 -0.05 0.00 0.00 57.45 57.62 2akw n PHE 607 Cb 0.15 -1.04 -0.11 0.00 -0.94 0.00 0.00 39.48 37.54 2akw n PHE 607 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2akw h LEU 608 N 0.00 -0.02 0.94 4.37 5.85 -0.84 -2.16 115.31 123.46 2akw h LEU 608 Ca 0.00 -0.76 -0.05 0.00 0.84 0.00 0.00 57.88 57.92 2akw h LEU 608 Cb 0.08 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.12 2akw h LEU 608 CO 0.00 0.78 -0.45 0.25 -0.34 0.00 0.00 178.44 178.68 2akw h LEU 609 N -0.84 -1.07 -1.55 2.25 6.46 -1.00 -0.21 115.31 119.35 2akw h LEU 609 Ca -0.00 0.04 0.46 0.00 -0.12 0.00 0.00 57.88 58.25 2akw h LEU 609 Cb 0.77 0.28 -0.12 0.00 -0.73 0.00 0.00 40.66 40.86 2akw h LEU 609 CO 0.00 -0.74 0.96 0.50 -0.62 0.00 0.00 178.44 178.55 2akw h LYS 610 N -1.32 0.06 0.00 1.25 1.63 -0.70 0.60 116.57 118.09 2akw h LYS 610 Ca -0.13 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.57 2akw h LYS 610 Cb 0.97 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2akw h LYS 610 CO 0.21 0.04 -0.38 0.78 -3.45 0.00 0.00 179.45 176.65 2akw h GLY 611 N 0.06 0.28 0.97 5.01 0.00 -0.78 -1.48 103.07 107.13 2akw h GLY 611 Ca 0.84 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.68 2akw h GLY 611 CO -0.33 0.45 0.51 -0.97 0.00 0.00 0.00 176.54 176.20 2akw h TYR 612 N -0.37 0.96 -0.17 5.60 0.05 0.17 -1.40 116.97 121.80 2akw h TYR 612 Ca -0.05 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2akw h TYR 612 Cb 1.13 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 2akw h TYR 612 CO 0.17 0.59 -0.14 -0.07 -1.05 0.00 0.00 178.16 177.66 2akw h LEU 613 N 1.02 0.26 -0.69 3.88 3.38 -0.09 -1.93 115.31 121.14 2akw h LEU 613 Ca 0.29 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2akw h LEU 613 Cb -0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2akw h LEU 613 CO -0.08 0.43 0.01 -0.33 0.09 0.00 0.00 178.44 178.56 2akw h GLU 614 N 0.26 1.02 -0.17 1.13 5.08 -0.23 -2.65 114.58 119.02 2akw h GLU 614 Ca 0.05 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2akw h GLU 614 Cb 0.41 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2akw h GLU 614 CO 0.02 0.99 0.05 0.00 -1.00 0.00 0.00 179.01 179.08 2akw h ALA 615 N 1.06 0.22 -0.13 3.43 0.00 -0.76 -0.07 119.26 123.01 2akw h ALA 615 Ca 0.17 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2akw h ALA 615 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2akw h ALA 615 CO 0.03 -0.16 -0.25 1.25 0.00 0.00 0.00 179.25 180.12 2akw h LEU 616 N 0.09 -0.82 -2.06 0.00 5.85 -1.18 0.66 115.31 117.86 2akw h LEU 616 Ca 0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2akw h LEU 616 Cb 0.23 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2akw h LEU 616 CO -0.00 -0.20 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.59 2akw h PHE 617 N -0.21 0.00 -0.52 1.25 0.04 -1.49 0.22 116.94 116.23 2akw h PHE 617 Ca 0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2akw h PHE 617 Cb 0.28 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2akw h PHE 617 CO -0.59 0.05 0.15 0.00 -0.60 0.00 0.00 178.31 177.32 2akw h ALA 618 N 1.95 0.68 -0.52 2.45 0.00 0.87 0.36 119.26 125.05 2akw h ALA 618 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2akw h ALA 618 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2akw h ALA 618 CO 0.01 0.35 -0.08 -0.09 0.00 0.00 0.00 179.25 179.44 2akw h ARG 619 N 0.72 0.96 0.00 0.00 1.12 0.26 -2.33 114.38 115.10 2akw h ARG 619 Ca 0.17 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.71 2akw h ARG 619 Cb 0.29 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2akw h ARG 619 CO -0.00 0.99 0.00 1.28 -3.11 0.00 0.00 179.97 179.13 2akw n LEU 620 N -4.16 0.00 -3.51 3.80 4.77 0.55 -4.90 117.00 113.55 2akw n LEU 620 Ca 0.02 0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 2akw n LEU 620 Cb 0.38 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2akw n LEU 620 CO 0.44 -0.00 0.13 0.61 -1.33 0.00 0.00 177.39 177.24 2akw n GLY 621 N 1.00 -0.41 3.02 -0.72 0.00 -0.09 -4.90 105.19 103.09 2akw n GLY 621 Ca 0.23 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 2akw n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2akw s LEU 622 N -6.65 2.12 0.06 0.99 1.43 -0.08 -4.69 118.68 111.86 2akw s LEU 622 Ca 0.17 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.66 2akw s LEU 622 Cb -0.07 -0.27 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 2akw s LEU 622 CO 0.74 -0.04 1.47 0.00 0.23 0.00 0.00 176.35 178.75 2akw s ALA 623 N -0.66 3.62 -0.04 4.21 0.00 -1.26 -4.34 121.76 123.28 2akw s ALA 623 Ca -0.02 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.06 2akw s ALA 623 Cb -0.06 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2akw s ALA 623 CO 0.00 -0.86 -0.24 0.12 0.00 0.00 0.00 175.76 174.78 2akw s PHE 624 N 1.98 2.42 -0.20 0.00 5.36 -1.26 0.23 117.98 126.52 2akw s PHE 624 Ca 0.67 -0.54 -0.18 0.00 -0.96 0.00 0.00 56.93 55.91 2akw s PHE 624 Cb -0.36 -1.56 0.05 0.00 -0.34 0.00 0.00 43.02 40.81 2akw s PHE 624 CO 0.29 -0.10 0.53 0.50 -1.46 0.00 0.00 175.22 174.98 2akw s ARG 625 N -0.41 0.62 -0.34 10.12 3.52 -1.06 -5.00 118.95 126.40 2akw s ARG 625 Ca 0.04 0.72 0.02 0.00 -0.13 0.00 0.00 55.73 56.39 2akw s ARG 625 Cb -0.12 0.30 0.10 0.00 -1.56 0.00 0.00 34.95 33.68 2akw s ARG 625 CO 0.01 -0.08 0.07 0.08 -0.81 0.00 0.00 175.30 174.58 2akw s VAL 626 N 0.25 1.83 -0.03 7.11 1.01 -1.26 -0.56 120.40 128.75 2akw s VAL 626 Ca -0.00 -2.08 -0.14 0.00 0.00 0.00 0.00 61.98 59.76 2akw s VAL 626 Cb -0.04 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2akw s VAL 626 CO 0.01 -0.63 0.37 -1.61 0.00 0.00 0.00 175.10 173.24 2akw s GLU 627 N 1.09 3.90 0.30 2.72 2.02 -1.14 -4.88 118.70 122.71 2akw s GLU 627 Ca 0.11 0.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.14 2akw s GLU 627 Cb -0.19 -3.24 -0.11 0.00 0.10 0.00 0.00 34.13 30.70 2akw s GLU 627 CO -0.13 0.65 1.51 0.00 0.02 0.00 0.00 175.26 177.32 2akw s ALA 628 N -0.91 3.67 -0.18 5.21 0.00 -1.26 -0.22 121.76 128.07 2akw s ALA 628 Ca 0.22 1.48 -0.28 0.00 0.00 0.00 0.00 51.96 53.38 2akw s ALA 628 Cb -0.16 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.46 2akw s ALA 628 CO 0.12 -0.91 0.91 -1.14 0.00 0.00 0.00 175.76 174.74 2akw s GLN 629 N -0.81 0.69 0.34 0.00 0.74 -1.13 -4.73 119.66 114.76 2akw s GLN 629 Ca 0.60 0.39 -0.22 0.00 0.05 0.00 0.00 55.36 56.17 2akw s GLN 629 Cb -0.45 0.33 -0.10 0.00 1.10 0.00 0.00 33.01 33.89 2akw s GLN 629 CO 0.49 -0.17 0.88 0.00 -0.55 0.00 0.00 175.29 175.95 2akw s ALA 630 N -0.59 3.20 -0.16 1.58 0.00 -1.26 -2.95 121.76 121.57 2akw s ALA 630 Ca -0.02 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2akw s ALA 630 Cb -0.02 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 20.12 2akw s ALA 630 CO 0.01 0.21 0.26 -0.06 0.00 0.00 0.00 175.76 176.18 2akw s PHE 631 N -1.84 -0.41 0.18 0.00 0.08 -1.26 -5.02 117.98 109.71 2akw s PHE 631 Ca 0.53 0.71 -0.01 0.00 0.12 0.00 0.00 56.93 58.28 2akw s PHE 631 Cb -0.14 -0.14 0.38 0.00 -0.57 0.00 0.00 43.02 42.55 2akw s PHE 631 CO 0.19 -0.47 0.94 -2.30 -0.10 0.00 0.00 175.22 173.48 2akw n PRO 632 N 5.34 -0.05 -0.03 0.24 -0.02 -1.26 0.15 135.00 139.37 2akw n PRO 632 Ca -0.06 0.92 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 2akw n PRO 632 Cb 0.50 -1.42 0.45 0.00 -0.02 0.00 0.00 33.50 33.01 2akw n PRO 632 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2akw n PHE 633 N -4.86 0.09 -4.13 6.00 1.16 -1.26 -4.88 117.46 109.59 2akw n PHE 633 Ca 0.12 -0.04 -0.23 0.00 -1.87 0.00 0.00 57.45 55.42 2akw n PHE 633 Cb 0.39 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.20 2akw n PHE 633 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2akw s LEU 634 N -1.53 3.21 0.05 5.98 1.43 0.40 -2.42 118.68 125.80 2akw s LEU 634 Ca 0.28 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 2akw s LEU 634 Cb 0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 2akw s LEU 634 CO 0.22 -0.32 1.13 -2.28 0.23 0.00 0.00 176.35 175.33 2akw s HIS 635 N -2.46 3.51 0.53 0.29 5.65 0.21 -3.98 115.29 119.04 2akw s HIS 635 Ca 0.38 1.42 0.20 0.00 0.25 0.00 0.00 55.06 57.32 2akw s HIS 635 Cb -0.01 -3.33 1.37 0.00 -1.18 0.00 0.00 32.58 29.42 2akw s HIS 635 CO 0.22 -0.90 2.11 -1.35 -0.65 0.00 0.00 174.74 174.17 2akw h PRO 636 N 6.70 0.00 0.05 2.88 0.11 -1.90 -2.50 132.00 137.34 2akw h PRO 636 Ca -0.42 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.41 2akw h PRO 636 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2akw h PRO 636 CO 0.79 0.00 -1.53 0.78 -0.21 0.00 0.00 178.00 177.83 2akw h GLY 637 N 0.00 0.13 -6.78 -0.55 0.00 -1.97 -3.39 103.07 90.51 2akw h GLY 637 Ca 0.08 -0.33 -0.69 0.00 0.00 0.00 0.00 47.33 46.39 2akw h GLY 637 CO -0.00 0.29 -0.06 -0.62 0.00 0.00 0.00 176.54 176.14 2akw n VAL 638 N -3.29 3.34 -3.73 4.60 0.31 -0.95 -5.02 118.33 113.59 2akw n VAL 638 Ca -0.15 -5.37 -0.12 0.00 -0.01 0.00 0.00 64.34 58.69 2akw n VAL 638 Cb 1.03 -2.19 -0.11 0.00 -0.91 0.00 0.00 33.84 31.66 2akw n VAL 638 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2akw s SER 639 N -1.51 -0.40 0.01 4.52 0.15 -1.16 -1.16 113.70 114.15 2akw s SER 639 Ca 0.33 0.75 -0.28 0.00 0.70 0.00 0.00 55.95 57.45 2akw s SER 639 Cb 0.04 0.72 0.10 0.00 -1.71 0.00 0.00 66.02 65.17 2akw s SER 639 CO -0.02 -0.15 0.90 -0.83 1.20 0.00 0.00 173.24 174.34 2akw s GLY 640 N 0.57 -0.44 0.51 9.45 0.00 -0.88 -2.83 107.32 113.70 2akw s GLY 640 Ca -0.03 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.65 2akw s GLY 640 CO -0.03 0.31 0.72 1.09 0.00 0.00 0.00 173.10 175.18 2akw s ARG 641 N -3.13 2.70 -0.10 2.90 1.70 0.70 -0.95 118.95 122.76 2akw s ARG 641 Ca 0.06 -0.80 -0.00 0.00 -0.47 0.00 0.00 55.73 54.51 2akw s ARG 641 Cb -0.01 -2.55 -0.03 0.00 -0.57 0.00 0.00 34.95 31.79 2akw s ARG 641 CO -0.08 -0.54 -0.08 0.08 -1.08 0.00 0.00 175.30 173.60 2akw s VAL 642 N -2.65 3.54 -0.46 4.99 1.01 -0.18 -2.87 120.40 123.78 2akw s VAL 642 Ca 0.55 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2akw s VAL 642 Cb -0.10 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 33.92 2akw s VAL 642 CO 0.37 0.55 0.22 -0.76 0.00 0.00 0.00 175.10 175.48 2akw s LEU 643 N -0.21 3.75 -0.26 3.92 2.01 0.27 -1.24 118.68 126.91 2akw s LEU 643 Ca 0.02 -2.72 -0.23 0.00 0.01 0.00 0.00 54.13 51.21 2akw s LEU 643 Cb -0.13 -1.41 -0.01 0.00 0.01 0.00 0.00 46.19 44.65 2akw s LEU 643 CO 0.03 -0.27 0.76 -0.69 1.01 0.00 0.00 176.35 177.19 2akw s VAL 644 N 0.14 4.87 -1.48 -1.59 1.01 -0.43 -2.57 120.40 120.35 2akw s VAL 644 Ca 0.16 1.34 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 2akw s VAL 644 Cb -0.24 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.13 2akw s VAL 644 CO -0.02 -0.09 0.94 -0.62 0.00 0.00 0.00 175.10 175.32 2akw n GLU 645 N 5.96 -5.59 0.00 2.72 -0.58 0.14 -2.82 120.64 120.48 2akw n GLU 645 Ca 0.03 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 2akw n GLU 645 Cb 0.48 -5.45 0.00 0.00 -0.57 0.00 0.00 31.44 25.90 2akw n GLU 645 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2akw n GLY 646 N -1.69 2.36 3.78 0.62 0.00 -1.25 -5.01 105.19 103.99 2akw n GLY 646 Ca -0.03 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2akw n GLY 646 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2akw s GLU 647 N 0.00 3.71 -0.14 1.61 -1.05 -1.13 -4.84 118.70 116.86 2akw s GLU 647 Ca 0.00 1.63 -0.29 0.00 -0.15 0.00 0.00 54.97 56.16 2akw s GLU 647 Cb 0.00 -2.27 -0.01 0.00 -0.44 0.00 0.00 34.13 31.42 2akw s GLU 647 CO 0.00 -0.55 0.99 -2.00 0.95 0.00 0.00 175.26 174.64 2akw s GLU 648 N -2.91 4.37 -0.00 -4.83 2.12 -1.26 -1.32 118.70 114.86 2akw s GLU 648 Ca 0.66 1.33 0.03 0.00 0.36 0.00 0.00 54.97 57.35 2akw s GLU 648 Cb -0.24 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 2akw s GLU 648 CO 0.29 -0.39 0.14 1.33 -0.54 0.00 0.00 175.26 176.10 2akw n VAL 649 N 4.75 0.00 0.00 3.70 0.24 -0.38 -4.96 118.33 121.69 2akw n VAL 649 Ca 0.09 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2akw n VAL 649 Cb 0.48 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 2akw n VAL 649 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2akw n GLY 650 N 1.13 -0.82 3.25 7.63 0.00 -1.25 -1.13 105.19 114.00 2akw n GLY 650 Ca 0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 2akw n GLY 650 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2akw s PHE 651 N -4.00 0.93 -0.18 1.61 -0.12 -0.76 -1.01 117.98 114.44 2akw s PHE 651 Ca 0.00 -1.21 -0.15 0.00 -0.05 0.00 0.00 56.93 55.52 2akw s PHE 651 Cb 0.00 -0.40 0.05 0.00 -0.63 0.00 0.00 43.02 42.04 2akw s PHE 651 CO 0.00 -0.67 0.48 -1.17 -0.05 0.00 0.00 175.22 173.81 2akw s LEU 652 N -3.10 0.02 0.00 -1.99 2.96 -0.13 -2.29 118.68 114.15 2akw s LEU 652 Ca 0.32 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2akw s LEU 652 Cb 0.06 1.62 0.00 0.00 0.50 0.00 0.00 46.19 48.37 2akw s LEU 652 CO 0.08 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 2akw n GLY 653 N 3.31 -1.53 3.83 7.98 0.00 0.02 -2.08 105.19 116.71 2akw n GLY 653 Ca -0.16 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 2akw n GLY 653 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akw s ALA 654 N -1.23 3.70 0.16 4.61 0.00 -0.30 -0.03 121.76 128.66 2akw s ALA 654 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 51.96 51.40 2akw s ALA 654 Cb 0.00 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.64 2akw s ALA 654 CO 0.00 0.46 1.79 -0.11 0.00 0.00 0.00 175.76 177.90 2akw n LEU 655 N 1.95 4.02 -4.59 0.00 7.94 0.27 0.65 117.00 127.24 2akw n LEU 655 Ca -0.14 1.02 -0.52 0.00 -1.11 0.00 0.00 56.01 55.26 2akw n LEU 655 Cb 0.52 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 2akw n LEU 655 CO 0.37 0.18 0.89 1.57 -1.11 0.00 0.00 177.39 179.29 2akw n HIS 656 N 4.95 1.50 -0.17 1.96 -0.00 -1.02 -4.40 115.22 118.04 2akw n HIS 656 Ca 0.17 0.65 -0.04 0.00 -0.00 0.00 0.00 57.72 58.50 2akw n HIS 656 Cb 0.36 -2.33 0.02 0.00 -0.00 0.00 0.00 29.99 28.05 2akw n HIS 656 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2akw h PRO 657 N 4.52 -0.11 -0.93 1.57 0.11 -1.89 -1.62 132.00 133.65 2akw h PRO 657 Ca -0.48 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.79 2akw h PRO 657 Cb 1.34 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.38 2akw h PRO 657 CO 0.77 -0.08 0.53 0.93 -0.21 0.00 0.00 178.00 179.95 2akw h GLU 658 N -0.12 0.74 -0.23 1.05 5.08 -1.98 0.26 114.58 119.38 2akw h GLU 658 Ca 0.24 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2akw h GLU 658 Cb 0.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2akw h GLU 658 CO -0.60 0.49 0.04 0.82 -1.00 0.00 0.00 179.01 178.76 2akw h ILE 659 N 0.77 1.22 -0.93 3.13 5.03 -1.69 -0.35 117.51 124.69 2akw h ILE 659 Ca 0.50 -0.74 0.17 0.00 -0.12 0.00 0.00 64.86 64.67 2akw h ILE 659 Cb 0.65 1.27 -0.10 0.00 -3.03 0.00 0.00 36.82 35.61 2akw h ILE 659 CO -0.33 0.23 0.52 0.00 -0.68 0.00 0.00 178.15 177.89 2akw h ALA 660 N 0.85 1.47 -0.05 1.87 0.00 0.04 -0.38 119.26 123.06 2akw h ALA 660 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2akw h ALA 660 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2akw h ALA 660 CO 0.00 -0.07 -0.07 1.96 0.00 0.00 0.00 179.25 181.07 2akw h GLN 661 N 0.69 0.13 -0.03 0.00 7.50 -0.18 0.89 115.11 124.10 2akw h GLN 661 Ca 0.52 -0.08 0.01 0.00 0.50 0.00 0.00 58.65 59.60 2akw h GLN 661 Cb 0.78 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.31 2akw h GLN 661 CO -0.38 0.63 0.03 1.49 -1.50 0.00 0.00 178.83 179.10 2akw h GLU 662 N -0.36 0.00 -0.02 1.46 4.81 -0.45 0.47 114.58 120.49 2akw h GLU 662 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2akw h GLU 662 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2akw h GLU 662 CO 0.02 0.00 -0.24 1.28 -0.73 0.00 0.00 179.01 179.34 2akw n LEU 663 N -4.50 1.81 -3.36 1.64 4.77 -0.21 -4.98 117.00 112.16 2akw n LEU 663 Ca -0.02 -0.61 -0.18 0.00 -0.03 0.00 0.00 56.01 55.17 2akw n LEU 663 Cb 0.12 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2akw n LEU 663 CO 0.34 0.32 0.04 -0.62 -1.33 0.00 0.00 177.39 176.14 2akw n GLU 664 N 0.07 -1.81 -4.10 3.23 1.02 0.56 -5.02 120.64 114.59 2akw n GLU 664 Ca 0.13 0.83 -0.14 0.00 -0.02 0.00 0.00 57.16 57.95 2akw n GLU 664 Cb 0.44 -5.24 -0.12 0.00 -0.02 0.00 0.00 31.44 26.50 2akw n GLU 664 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2akw s LEU 665 N -5.50 2.25 0.00 -4.62 1.43 0.28 -5.00 118.68 107.51 2akw s LEU 665 Ca 0.39 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2akw s LEU 665 Cb -0.08 -0.25 0.30 0.00 0.03 0.00 0.00 46.19 46.18 2akw s LEU 665 CO 0.78 -0.16 1.01 -2.65 0.23 0.00 0.00 176.35 175.56 2akw n PRO 666 N 1.51 -3.24 -2.05 1.29 -0.02 -1.26 -4.49 135.00 126.74 2akw n PRO 666 Ca -0.22 -1.62 -0.42 0.00 -2.02 0.00 0.00 63.50 59.22 2akw n PRO 666 Cb 0.55 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 2akw n PRO 666 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2akw s PRO 667 N -5.31 4.26 -0.12 0.52 0.04 -1.26 -4.95 135.00 128.18 2akw s PRO 667 Ca 0.67 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.94 2akw s PRO 667 Cb -0.07 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 2akw s PRO 667 CO 0.52 -0.54 -0.18 0.08 0.04 0.00 0.00 177.00 176.91 2akw s VAL 668 N 1.29 2.53 0.04 -0.36 1.01 -1.26 -4.64 120.40 119.00 2akw s VAL 668 Ca 0.68 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2akw s VAL 668 Cb -0.40 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2akw s VAL 668 CO 0.31 0.54 0.12 -1.00 0.00 0.00 0.00 175.10 175.06 2akw s HIS 669 N 0.48 3.34 0.21 5.22 3.76 -1.16 0.94 115.29 128.08 2akw s HIS 669 Ca -0.12 0.19 -0.22 0.00 -0.15 0.00 0.00 55.06 54.76 2akw s HIS 669 Cb -0.17 -1.71 0.07 0.00 1.11 0.00 0.00 32.58 31.88 2akw s HIS 669 CO 0.05 0.56 0.97 -0.48 -0.85 0.00 0.00 174.74 175.00 2akw s LEU 670 N -2.16 -0.05 0.13 0.89 0.05 0.95 -0.73 118.68 117.76 2akw s LEU 670 Ca 0.28 -0.67 -0.18 0.00 0.05 0.00 0.00 54.13 53.62 2akw s LEU 670 Cb -0.12 2.23 0.04 0.00 -2.05 0.00 0.00 46.19 46.29 2akw s LEU 670 CO 0.20 -1.08 0.44 0.72 -0.55 0.00 0.00 176.35 176.09 2akw s PHE 671 N -2.54 -0.28 -0.18 3.48 -0.71 -0.53 -0.80 117.98 116.43 2akw s PHE 671 Ca 0.18 -0.02 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 2akw s PHE 671 Cb -0.03 0.33 0.07 0.00 -1.21 0.00 0.00 43.02 42.18 2akw s PHE 671 CO 0.05 -0.74 0.39 -2.00 -1.34 0.00 0.00 175.22 171.59 2akw s GLU 672 N -3.79 0.32 0.38 1.99 2.12 -0.97 -1.26 118.70 117.49 2akw s GLU 672 Ca 0.03 0.89 0.07 0.00 0.36 0.00 0.00 54.97 56.32 2akw s GLU 672 Cb 0.01 0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.47 2akw s GLU 672 CO -0.12 -0.22 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.85 2akw s LEU 673 N 2.10 2.76 -0.18 2.70 1.43 0.25 -1.84 118.68 125.90 2akw s LEU 673 Ca -0.04 -1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 51.70 2akw s LEU 673 Cb -0.11 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2akw s LEU 673 CO -0.12 -0.38 0.00 -0.60 0.23 0.00 0.00 176.35 175.48 2akw s ARG 674 N -3.69 3.76 0.20 1.70 3.52 -0.28 -0.82 118.95 123.33 2akw s ARG 674 Ca 0.34 -0.46 0.04 0.00 -0.13 0.00 0.00 55.73 55.51 2akw s ARG 674 Cb 0.07 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.38 2akw s ARG 674 CO 0.17 0.19 0.33 -0.51 -0.81 0.00 0.00 175.30 174.67 2akw s LEU 675 N 0.53 4.32 0.40 -0.88 1.43 0.64 -4.25 118.68 120.88 2akw s LEU 675 Ca -0.01 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 2akw s LEU 675 Cb -0.14 -2.89 -0.11 0.00 0.03 0.00 0.00 46.19 43.09 2akw s LEU 675 CO 0.02 -0.02 0.95 -2.16 0.23 0.00 0.00 176.35 175.37 2akw s PRO 676 N -3.65 4.33 0.75 1.29 0.04 -1.26 -4.39 135.00 132.11 2akw s PRO 676 Ca 0.34 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 2akw s PRO 676 Cb -0.10 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.13 2akw s PRO 676 CO 0.29 0.06 1.11 -0.51 0.04 0.00 0.00 177.00 177.99 2akw s LEU 677 N -2.86 3.13 0.99 -3.56 1.43 -1.26 -4.98 118.68 111.57 2akw s LEU 677 Ca 0.59 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 2akw s LEU 677 Cb -0.12 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.75 2akw s LEU 677 CO 0.16 -2.04 1.12 -2.84 0.23 0.00 0.00 176.35 172.97 2akw s PRO 678 N -4.59 0.43 -0.22 1.29 0.02 -1.26 -5.01 135.00 125.66 2akw s PRO 678 Ca 0.64 1.38 -0.02 0.00 0.02 0.00 0.00 61.00 63.02 2akw s PRO 678 Cb -0.19 -1.67 0.01 0.00 0.02 0.00 0.00 34.50 32.66 2akw s PRO 678 CO 0.51 -2.98 -0.08 -0.51 -0.33 0.00 0.00 177.00 173.61 2akw s ASP 679 N -2.59 4.04 -0.37 2.53 1.01 -1.26 -5.05 116.67 114.98 2akw s ASP 679 Ca 0.67 -0.60 -0.11 0.00 0.71 0.00 0.00 52.55 53.22 2akw s ASP 679 Cb -0.24 -1.66 0.02 0.00 1.01 0.00 0.00 42.92 42.06 2akw s ASP 679 CO 0.60 -0.05 0.21 -0.75 0.21 0.00 0.00 175.17 175.38 2akw s LYS 680 N 1.39 2.90 0.38 8.23 2.20 -1.26 -5.07 119.74 128.51 2akw s LYS 680 Ca 0.04 -1.03 -0.27 0.00 -0.36 0.00 0.00 55.97 54.35 2akw s LYS 680 Cb -0.15 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 2akw s LYS 680 CO -0.06 -0.67 1.27 -1.25 -0.36 0.00 0.00 175.35 174.29 2akw s PRO 681 N 1.57 4.09 0.46 4.03 0.04 -1.26 -4.98 135.00 138.94 2akw s PRO 681 Ca 0.02 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 2akw s PRO 681 Cb -0.19 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 2akw s PRO 681 CO 0.07 -0.37 1.24 -1.17 0.04 0.00 0.00 177.00 176.81 2akw s LEU 682 N -2.27 4.05 -0.44 -3.56 2.96 -1.26 -4.98 118.68 113.18 2akw s LEU 682 Ca 0.55 2.50 0.05 0.00 -0.22 0.00 0.00 54.13 57.01 2akw s LEU 682 Cb -0.37 -4.13 0.19 0.00 0.50 0.00 0.00 46.19 42.38 2akw s LEU 682 CO 0.47 -1.01 0.49 0.00 -1.32 0.00 0.00 176.35 174.99 2akw n ALA 683 N -0.37 1.35 -1.51 5.97 0.00 -1.26 -5.11 120.51 119.59 2akw n ALA 683 Ca 0.07 -2.51 -0.58 0.00 0.00 0.00 0.00 53.44 50.42 2akw n ALA 683 Cb 0.46 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 2akw n ALA 683 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2akw n PHE 684 N 2.63 0.70 -3.72 0.00 7.35 -1.26 -4.91 117.46 118.26 2akw n PHE 684 Ca 0.25 1.02 -0.35 0.00 -0.76 0.00 0.00 57.45 57.60 2akw n PHE 684 Cb 0.51 -2.11 -0.09 0.00 0.35 0.00 0.00 39.48 38.14 2akw n PHE 684 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2akw s GLN 685 N 0.03 2.71 -0.36 -4.13 -1.52 -1.26 -5.06 119.66 110.07 2akw s GLN 685 Ca 0.90 -2.79 -0.42 0.00 -1.95 0.00 0.00 55.36 51.11 2akw s GLN 685 Cb -1.23 -3.74 -0.17 0.00 -0.22 0.00 0.00 33.01 27.65 2akw s GLN 685 CO 0.56 -1.20 1.77 -3.47 -0.25 0.00 0.00 175.29 172.70 2akw n ASP 686 N 3.06 1.98 -4.63 5.90 -0.08 -1.26 -4.88 116.55 116.64 2akw n ASP 686 Ca 0.12 1.03 -0.32 0.00 -1.51 0.00 0.00 54.79 54.10 2akw n ASP 686 Cb 0.37 -1.07 0.14 0.00 2.34 0.00 0.00 41.12 42.91 2akw n ASP 686 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2akw n PRO 687 N 5.42 -0.20 -3.46 -0.67 -0.02 -1.26 -4.99 135.00 129.83 2akw n PRO 687 Ca 0.31 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.42 2akw n PRO 687 Cb 0.08 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 2akw n PRO 687 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2akw s SER 688 N -2.33 6.79 0.21 2.55 0.15 -1.26 -4.98 113.70 114.83 2akw s SER 688 Ca 0.68 0.94 0.06 0.00 0.70 0.00 0.00 55.95 58.33 2akw s SER 688 Cb -0.25 -2.26 0.13 0.00 -1.71 0.00 0.00 66.02 61.92 2akw s SER 688 CO 0.57 0.26 1.47 0.03 1.20 0.00 0.00 173.24 176.77 2akw h ARG 689 N 5.09 0.12 -7.34 5.44 2.47 -1.89 -3.46 114.38 114.81 2akw h ARG 689 Ca -0.49 -0.11 -0.51 0.00 -1.26 0.00 0.00 59.98 57.61 2akw h ARG 689 Cb 1.21 0.03 0.11 0.00 -1.65 0.00 0.00 29.97 29.67 2akw h ARG 689 CO 0.64 0.82 0.34 -1.01 0.56 0.00 0.00 179.97 181.33 2akw s HIS 690 N -3.38 2.87 0.71 3.04 3.76 -1.26 -5.05 115.29 115.98 2akw s HIS 690 Ca -0.02 1.39 -0.13 0.00 -0.15 0.00 0.00 55.06 56.15 2akw s HIS 690 Cb 0.11 -2.99 0.03 0.00 1.11 0.00 0.00 32.58 30.84 2akw s HIS 690 CO 0.80 -1.56 1.11 -1.25 -0.85 0.00 0.00 174.74 172.98 2akw s PRO 691 N -5.02 2.52 0.14 8.40 0.04 -1.26 -4.93 135.00 134.89 2akw s PRO 691 Ca 0.60 1.31 0.05 0.00 0.04 0.00 0.00 61.00 63.00 2akw s PRO 691 Cb -0.15 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2akw s PRO 691 CO 0.55 -1.46 0.12 0.00 0.04 0.00 0.00 177.00 176.25 2akw s ALA 692 N -2.57 3.56 -0.14 8.56 0.00 -1.26 -4.68 121.76 125.23 2akw s ALA 692 Ca 0.65 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2akw s ALA 692 Cb -0.19 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2akw s ALA 692 CO 0.48 0.57 0.60 0.00 0.00 0.00 0.00 175.76 177.41 2akw s ALA 693 N -1.65 3.47 -0.18 0.00 0.00 0.25 -4.84 121.76 118.80 2akw s ALA 693 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 2akw s ALA 693 Cb -0.11 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2akw s ALA 693 CO 0.23 -0.28 -0.03 -0.06 0.00 0.00 0.00 175.76 175.62 2akw s PHE 694 N 1.25 3.00 -0.16 0.00 0.40 -1.26 -0.29 117.98 120.93 2akw s PHE 694 Ca 0.30 -0.49 -0.15 0.00 -0.60 0.00 0.00 56.93 55.98 2akw s PHE 694 Cb -0.16 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.38 2akw s PHE 694 CO 0.12 -0.22 0.43 0.50 0.70 0.00 0.00 175.22 176.75 2akw s ARG 695 N 0.83 0.50 0.33 0.44 3.52 -0.56 -5.03 118.95 118.98 2akw s ARG 695 Ca -0.01 0.60 0.08 0.00 -0.13 0.00 0.00 55.73 56.28 2akw s ARG 695 Cb -0.14 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 2akw s ARG 695 CO 0.02 -0.06 0.17 -0.51 -0.81 0.00 0.00 175.30 174.10 2akw s ASP 696 N 0.25 4.84 -0.30 -2.12 1.11 -1.03 -1.03 116.67 118.39 2akw s ASP 696 Ca -0.00 -0.68 -0.23 0.00 0.18 0.00 0.00 52.55 51.82 2akw s ASP 696 Cb -0.03 -0.82 0.20 0.00 1.07 0.00 0.00 42.92 43.34 2akw s ASP 696 CO 0.00 -0.28 1.41 -1.48 1.18 0.00 0.00 175.17 176.01 2akw s LEU 697 N -3.86 -0.04 0.05 1.23 0.05 -1.17 -2.04 118.68 112.90 2akw s LEU 697 Ca 0.38 0.07 0.01 0.00 0.05 0.00 0.00 54.13 54.64 2akw s LEU 697 Cb -0.04 1.07 -0.04 0.00 -2.05 0.00 0.00 46.19 45.14 2akw s LEU 697 CO 0.23 -0.01 0.14 0.00 -0.55 0.00 0.00 176.35 176.16 2akw s ALA 698 N 0.27 3.79 -0.17 1.48 0.00 -1.19 -2.34 121.76 123.59 2akw s ALA 698 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2akw s ALA 698 Cb -0.04 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.43 2akw s ALA 698 CO -0.14 0.78 -0.18 0.08 0.00 0.00 0.00 175.76 176.29 2akw s VAL 699 N -1.41 2.30 -0.26 0.00 1.01 -0.94 -2.56 120.40 118.54 2akw s VAL 699 Ca 0.31 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2akw s VAL 699 Cb -0.13 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2akw s VAL 699 CO 0.23 0.53 0.71 -0.69 0.00 0.00 0.00 175.10 175.87 2akw s VAL 700 N 1.13 4.92 0.01 2.92 1.01 -1.24 -1.28 120.40 127.86 2akw s VAL 700 Ca 0.01 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 2akw s VAL 700 Cb -0.14 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 2akw s VAL 700 CO -0.07 -0.04 0.10 -0.69 0.00 0.00 0.00 175.10 174.40 2akw s VAL 701 N 2.66 0.09 0.46 2.92 1.01 0.12 -0.58 120.40 127.07 2akw s VAL 701 Ca 0.29 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 2akw s VAL 701 Cb -0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 2akw s VAL 701 CO 0.09 -0.40 1.41 -2.16 0.00 0.00 0.00 175.10 174.04 2akw s PRO 702 N -1.36 3.64 0.38 2.72 0.04 -1.26 0.98 135.00 140.13 2akw s PRO 702 Ca -0.15 2.38 0.18 0.00 0.04 0.00 0.00 61.00 63.46 2akw s PRO 702 Cb -0.08 -2.61 1.14 0.00 0.04 0.00 0.00 34.50 32.98 2akw s PRO 702 CO 0.01 -0.84 1.70 0.00 0.04 0.00 0.00 177.00 177.90 2akw h ALA 703 N 2.24 2.18 -0.54 8.56 0.00 -0.46 -1.58 119.26 129.66 2akw h ALA 703 Ca -0.51 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2akw h ALA 703 Cb 1.27 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2akw h ALA 703 CO 0.61 -0.72 0.07 -1.00 0.00 0.00 0.00 179.25 178.21 2akw h PRO 704 N 0.33 0.86 -6.47 0.00 0.13 -1.90 -3.44 132.00 121.50 2akw h PRO 704 Ca 0.70 -0.21 -0.58 0.00 -0.87 0.00 0.00 66.00 65.04 2akw h PRO 704 Cb 1.75 -0.11 0.05 0.00 0.13 0.00 0.00 31.00 32.81 2akw h PRO 704 CO -0.45 0.81 0.90 2.41 -0.23 0.00 0.00 178.00 181.44 2akw n THR 705 N -4.24 0.15 -2.17 1.56 -1.04 -0.60 -4.93 114.28 103.01 2akw n THR 705 Ca 0.03 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 2akw n THR 705 Cb 0.27 -1.69 -0.02 0.00 -1.82 0.00 0.00 70.33 67.06 2akw n THR 705 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2akw s PRO 706 N 1.73 4.40 0.27 -2.82 0.04 -1.26 -4.92 135.00 132.44 2akw s PRO 706 Ca 0.82 2.15 0.01 0.00 0.04 0.00 0.00 61.00 64.01 2akw s PRO 706 Cb -0.65 -3.10 0.57 0.00 0.04 0.00 0.00 34.50 31.36 2akw s PRO 706 CO 0.40 -0.14 1.78 -0.92 0.04 0.00 0.00 177.00 178.17 2akw h TYR 707 N 3.60 0.92 -0.66 0.56 3.20 -1.95 -2.36 116.97 120.28 2akw h TYR 707 Ca -0.48 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.56 2akw h TYR 707 Cb 1.22 -0.27 -0.11 0.00 1.54 0.00 0.00 36.73 39.12 2akw h TYR 707 CO 0.57 0.27 0.07 0.78 -1.64 0.00 0.00 178.16 178.20 2akw h GLY 708 N 0.75 0.79 0.94 1.82 0.00 -1.95 -0.72 103.07 104.70 2akw h GLY 708 Ca 0.49 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 2akw h GLY 708 CO -0.34 -0.19 0.13 -2.09 0.00 0.00 0.00 176.54 174.05 2akw h GLU 709 N 0.18 0.64 0.70 4.80 4.81 -1.81 -0.17 114.58 123.74 2akw h GLU 709 Ca 0.36 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2akw h GLU 709 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2akw h GLU 709 CO -0.52 0.63 -0.45 0.28 -0.73 0.00 0.00 179.01 178.23 2akw h VAL 710 N 0.53 0.10 -0.64 0.32 2.07 -1.35 -1.02 116.25 116.25 2akw h VAL 710 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.78 2akw h VAL 710 Cb 0.25 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 2akw h VAL 710 CO -0.01 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.68 2akw h GLU 711 N -1.09 0.30 -0.31 1.57 4.22 -1.10 -0.13 114.58 118.04 2akw h GLU 711 Ca -0.09 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.38 2akw h GLU 711 Cb 0.88 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 2akw h GLU 711 CO 0.08 0.20 0.01 0.00 -2.18 0.00 0.00 179.01 177.12 2akw h ALA 712 N 1.50 0.28 -0.19 2.92 0.00 -0.73 -0.68 119.26 122.36 2akw h ALA 712 Ca 0.34 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2akw h ALA 712 Cb 0.51 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2akw h ALA 712 CO -0.41 -0.40 0.04 1.25 0.00 0.00 0.00 179.25 179.73 2akw h LEU 713 N 0.10 0.30 -0.12 0.00 6.46 -0.26 0.11 115.31 121.89 2akw h LEU 713 Ca 0.15 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2akw h LEU 713 Cb 0.19 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 2akw h LEU 713 CO -0.24 0.47 -0.13 0.58 -0.62 0.00 0.00 178.44 178.51 2akw h VAL 714 N 0.11 0.65 0.35 1.05 2.07 -0.83 0.20 116.25 119.85 2akw h VAL 714 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2akw h VAL 714 Cb 0.30 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2akw h VAL 714 CO 0.00 0.00 -0.17 -0.09 0.02 0.00 0.00 177.57 177.33 2akw h ARG 715 N -0.16 -0.46 -0.95 1.57 2.43 -1.06 0.32 114.38 116.08 2akw h ARG 715 Ca 0.09 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.51 2akw h ARG 715 Cb 0.28 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.82 2akw h ARG 715 CO -0.22 -0.21 0.51 1.49 -1.51 0.00 0.00 179.97 180.03 2akw h GLU 716 N -0.63 0.51 0.00 0.20 4.22 -0.57 -0.31 114.58 118.00 2akw h GLU 716 Ca -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2akw h GLU 716 Cb 0.45 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2akw h GLU 716 CO 0.08 0.34 -0.57 0.00 -2.18 0.00 0.00 179.01 176.67 2akw n ALA 717 N -2.39 3.24 0.24 2.92 0.00 0.69 -4.17 120.51 121.05 2akw n ALA 717 Ca 0.24 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.41 2akw n ALA 717 Cb 0.68 -1.14 0.15 0.00 0.00 0.00 0.00 19.45 19.14 2akw n ALA 717 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2akw n ALA 718 N -1.66 1.33 0.00 0.00 0.00 0.11 -3.98 120.51 116.31 2akw n ALA 718 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2akw n ALA 718 Cb 0.38 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2akw n ALA 718 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2akw n GLY 719 N -0.79 -0.47 0.00 0.00 0.00 -1.26 -4.42 105.19 98.26 2akw n GLY 719 Ca 0.02 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.40 2akw n GLY 719 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2akw n PRO 720 N -0.47 0.65 -0.39 1.61 -0.04 -1.26 -3.20 135.00 131.90 2akw n PRO 720 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2akw n PRO 720 Cb 0.00 -1.41 0.21 0.00 -0.04 0.00 0.00 33.50 32.26 2akw n PRO 720 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2akw n TYR 721 N -0.91 0.57 -2.80 0.54 4.01 -1.26 -5.01 117.16 112.31 2akw n TYR 721 Ca 0.13 -1.09 -0.41 0.00 -0.16 0.00 0.00 57.90 56.37 2akw n TYR 721 Cb 0.06 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 2akw n TYR 721 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2akw s LEU 722 N -2.95 4.46 -0.05 7.72 2.96 -1.19 -2.42 118.68 127.21 2akw s LEU 722 Ca 0.39 1.67 -0.05 0.00 -0.22 0.00 0.00 54.13 55.92 2akw s LEU 722 Cb 0.33 -3.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 2akw s LEU 722 CO 0.04 -0.08 -0.10 1.21 -1.32 0.00 0.00 176.35 176.10 2akw n GLU 723 N 3.01 0.15 -4.31 1.98 2.13 0.16 -4.90 120.64 118.86 2akw n GLU 723 Ca 0.02 0.06 -0.30 0.00 0.66 0.00 0.00 57.16 57.60 2akw n GLU 723 Cb 0.50 -0.74 -0.04 0.00 0.27 0.00 0.00 31.44 31.43 2akw n GLU 723 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2akw s SER 724 N -4.60 4.39 -0.31 4.31 0.01 -1.24 -4.94 113.70 111.33 2akw s SER 724 Ca -0.08 -1.45 -0.13 0.00 1.31 0.00 0.00 55.95 55.61 2akw s SER 724 Cb 0.01 0.48 0.19 0.00 0.21 0.00 0.00 66.02 66.90 2akw s SER 724 CO 0.12 -0.99 1.11 -0.22 0.41 0.00 0.00 173.24 173.67 2akw s LEU 725 N -4.09 -0.20 -0.03 2.44 0.20 -1.19 -3.21 118.68 112.60 2akw s LEU 725 Ca 0.20 -0.03 0.03 0.00 0.69 0.00 0.00 54.13 55.02 2akw s LEU 725 Cb -0.00 0.72 -0.00 0.00 -0.43 0.00 0.00 46.19 46.48 2akw s LEU 725 CO 0.12 -0.03 -0.12 0.00 -0.29 0.00 0.00 176.35 176.03 2akw s ALA 726 N 2.52 1.11 -0.59 5.97 0.00 -0.57 -4.89 121.76 125.31 2akw s ALA 726 Ca 0.23 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 2akw s ALA 726 Cb 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2akw s ALA 726 CO -0.19 0.20 1.57 -1.17 0.00 0.00 0.00 175.76 176.17 2akw s LEU 727 N 0.10 3.33 0.00 0.00 2.96 -1.25 -0.58 118.68 123.24 2akw s LEU 727 Ca -0.03 0.25 0.23 0.00 -0.22 0.00 0.00 54.13 54.37 2akw s LEU 727 Cb -0.09 -2.82 0.37 0.00 0.50 0.00 0.00 46.19 44.15 2akw s LEU 727 CO 0.01 -1.96 1.37 2.22 -1.32 0.00 0.00 176.35 176.66 2akw n PHE 728 N 10.69 0.40 -3.53 5.38 -1.74 0.69 -4.94 117.46 124.41 2akw n PHE 728 Ca 0.14 -0.20 0.02 0.00 -0.56 0.00 0.00 57.45 56.85 2akw n PHE 728 Cb 0.50 -0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.44 2akw n PHE 728 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2akw s ASP 729 N -1.58 -0.18 -0.13 5.98 2.15 -1.22 -4.97 116.67 116.72 2akw s ASP 729 Ca 0.36 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.62 2akw s ASP 729 Cb 0.22 1.12 -0.01 0.00 -0.30 0.00 0.00 42.92 43.95 2akw s ASP 729 CO 0.31 -0.04 -0.14 -0.22 -0.17 0.00 0.00 175.17 174.91 2akw s LEU 730 N 1.42 2.63 0.04 -1.34 2.96 -1.26 0.10 118.68 123.22 2akw s LEU 730 Ca -0.06 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2akw s LEU 730 Cb -0.02 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 2akw s LEU 730 CO -0.13 0.16 0.15 -0.47 -1.32 0.00 0.00 176.35 174.74 2akw s TYR 731 N 0.38 0.12 -0.26 5.38 5.04 -0.52 -4.99 117.35 122.50 2akw s TYR 731 Ca -0.12 -0.38 -0.25 0.00 -2.44 0.00 0.00 57.07 53.89 2akw s TYR 731 Cb -0.16 -0.08 0.08 0.00 0.35 0.00 0.00 41.96 42.14 2akw s TYR 731 CO 0.06 -0.40 0.76 1.14 -1.34 0.00 0.00 175.55 175.77 2akw s GLN 732 N -2.55 0.80 0.00 4.97 -2.07 -1.26 0.19 119.66 119.74 2akw s GLN 732 Ca -0.05 0.92 0.00 0.00 -1.82 0.00 0.00 55.36 54.40 2akw s GLN 732 Cb -0.01 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2akw s GLN 732 CO -0.04 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 2akw n GLY 733 N 2.55 0.39 3.74 2.60 0.00 -1.26 -5.03 105.19 108.19 2akw n GLY 733 Ca -0.14 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2akw n GLY 733 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2akw s PRO 734 N -0.79 4.62 0.00 1.61 0.04 -1.26 0.14 135.00 139.35 2akw s PRO 734 Ca 0.00 1.28 0.29 0.00 0.04 0.00 0.00 61.00 62.61 2akw s PRO 734 Cb 0.00 -3.36 1.28 0.00 0.04 0.00 0.00 34.50 32.46 2akw s PRO 734 CO 0.00 0.27 1.88 -0.35 0.04 0.00 0.00 177.00 178.84 2akw n PRO 735 N 2.67 1.31 -1.36 0.56 -0.04 -1.26 -5.11 135.00 131.77 2akw n PRO 735 Ca -0.00 -0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 62.53 2akw n PRO 735 Cb 0.49 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 2akw n PRO 735 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2akw s LEU 736 N -2.09 3.29 -0.68 1.53 1.43 0.12 -4.86 118.68 117.42 2akw s LEU 736 Ca 0.39 2.40 -0.26 0.00 -1.03 0.00 0.00 54.13 55.63 2akw s LEU 736 Cb 0.21 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2akw s LEU 736 CO 0.37 -2.37 1.99 -2.16 0.23 0.00 0.00 176.35 174.41 2akw s PRO 737 N -3.91 2.47 0.11 1.29 0.04 -1.26 -4.55 135.00 129.19 2akw s PRO 737 Ca 0.75 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 2akw s PRO 737 Cb -0.30 -4.62 -0.08 0.00 0.04 0.00 0.00 34.50 29.54 2akw s PRO 737 CO 0.46 -3.09 0.19 0.39 0.04 0.00 0.00 177.00 174.99 2akw n GLU 738 N 9.05 0.00 -0.40 4.56 1.02 -1.26 -2.26 120.64 131.36 2akw n GLU 738 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2akw n GLU 738 Cb 0.51 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 2akw n GLU 738 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2akw n GLY 739 N 0.95 0.78 3.56 0.62 0.00 -1.26 -5.02 105.19 104.82 2akw n GLY 739 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2akw n GLY 739 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2akw s HIS 740 N -2.16 1.83 -0.04 1.61 3.76 -0.96 0.20 115.29 119.52 2akw s HIS 740 Ca 0.00 -1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 53.43 2akw s HIS 740 Cb 0.00 -1.27 0.11 0.00 1.11 0.00 0.00 32.58 32.52 2akw s HIS 740 CO 0.00 -0.16 0.89 -1.59 -0.85 0.00 0.00 174.74 173.04 2akw s LYS 741 N -3.76 0.79 0.00 1.40 -2.85 0.28 -4.22 119.74 111.39 2akw s LYS 741 Ca 0.21 -0.15 0.03 0.00 -1.00 0.00 0.00 55.97 55.05 2akw s LYS 741 Cb 0.03 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2akw s LYS 741 CO 0.12 -0.32 -0.04 -1.54 0.10 0.00 0.00 175.35 173.68 2akw s SER 742 N -2.05 4.85 -0.27 0.03 1.04 0.51 0.13 113.70 117.93 2akw s SER 742 Ca 0.02 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2akw s SER 742 Cb -0.01 -1.19 0.06 0.00 0.10 0.00 0.00 66.02 64.98 2akw s SER 742 CO -0.05 0.28 -0.07 -0.76 0.98 0.00 0.00 173.24 173.61 2akw s LEU 743 N -1.51 3.59 -0.43 2.42 1.43 -0.41 -1.44 118.68 122.34 2akw s LEU 743 Ca 0.18 -1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 51.65 2akw s LEU 743 Cb -0.11 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2akw s LEU 743 CO 0.09 -0.21 1.33 0.00 0.23 0.00 0.00 176.35 177.79 2akw s ALA 744 N 1.16 3.08 -0.15 4.21 0.00 0.28 -2.22 121.76 128.12 2akw s ALA 744 Ca -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 2akw s ALA 744 Cb -0.20 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 18.97 2akw s ALA 744 CO -0.04 -2.36 -0.06 -0.06 0.00 0.00 0.00 175.76 173.25 2akw s PHE 745 N 5.15 2.98 -0.28 0.00 0.08 -0.99 -0.22 117.98 124.69 2akw s PHE 745 Ca 0.57 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 57.15 2akw s PHE 745 Cb -0.12 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2akw s PHE 745 CO 0.32 -0.04 0.31 -1.01 -0.10 0.00 0.00 175.22 174.70 2akw s HIS 746 N 0.28 3.23 0.09 0.36 3.76 0.26 -3.02 115.29 120.25 2akw s HIS 746 Ca -0.04 0.26 0.08 0.00 -0.15 0.00 0.00 55.06 55.21 2akw s HIS 746 Cb -0.14 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 2akw s HIS 746 CO 0.03 -0.23 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.02 2akw s LEU 747 N 1.96 2.71 0.06 0.89 1.02 -0.20 -1.51 118.68 123.61 2akw s LEU 747 Ca 0.12 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.81 2akw s LEU 747 Cb -0.16 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 2akw s LEU 747 CO 0.10 0.21 -0.11 -0.13 0.02 0.00 0.00 176.35 176.44 2akw s ARG 748 N -1.91 0.69 0.07 1.70 0.52 -1.20 -1.50 118.95 117.33 2akw s ARG 748 Ca 0.17 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2akw s ARG 748 Cb -0.11 -0.59 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 2akw s ARG 748 CO 0.09 0.12 -0.06 -0.06 0.02 0.00 0.00 175.30 175.41 2akw s PHE 749 N -1.35 0.72 -0.21 -0.53 0.40 0.61 0.35 117.98 117.97 2akw s PHE 749 Ca -0.05 -0.82 -0.28 0.00 -0.60 0.00 0.00 56.93 55.17 2akw s PHE 749 Cb -0.10 -0.44 0.13 0.00 0.51 0.00 0.00 43.02 43.12 2akw s PHE 749 CO 0.01 -0.18 1.04 0.50 0.70 0.00 0.00 175.22 177.29 2akw s ARG 750 N -3.15 0.53 -0.14 0.44 3.52 -1.02 0.84 118.95 119.97 2akw s ARG 750 Ca 0.04 0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 2akw s ARG 750 Cb 0.01 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.66 2akw s ARG 750 CO -0.04 -0.14 -0.19 -1.58 -0.81 0.00 0.00 175.30 172.54 2akw s HIS 751 N -0.67 2.71 0.19 5.12 5.65 -1.25 -4.79 115.29 122.24 2akw s HIS 751 Ca 0.00 -1.18 -0.15 0.00 0.25 0.00 0.00 55.06 53.98 2akw s HIS 751 Cb -0.02 -1.84 0.17 0.00 -1.18 0.00 0.00 32.58 29.71 2akw s HIS 751 CO -0.02 -0.53 1.65 -1.00 -0.65 0.00 0.00 174.74 174.19 2akw h PRO 752 N 7.25 0.02 0.00 2.88 0.13 -1.96 -3.28 132.00 137.03 2akw h PRO 752 Ca -0.31 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2akw h PRO 752 Cb 1.19 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2akw h PRO 752 CO 0.55 0.01 -0.08 -0.22 -0.23 0.00 0.00 178.00 178.04 2akw h LYS 753 N 0.02 0.00 0.00 0.86 3.64 -1.98 -3.40 116.57 115.70 2akw h LYS 753 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2akw h LYS 753 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2akw h LYS 753 CO -0.51 0.82 0.00 2.89 -2.27 0.00 0.00 179.45 180.38 2akw n ARG 754 N -4.63 1.00 -2.26 1.90 -4.01 -1.24 -4.93 116.66 102.50 2akw n ARG 754 Ca -0.10 0.00 -0.26 0.00 -1.04 0.00 0.00 57.85 56.45 2akw n ARG 754 Cb 0.41 0.00 0.05 0.00 -3.04 0.00 0.00 32.46 29.88 2akw n ARG 754 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2akw s THR 755 N -1.47 2.83 -0.15 8.89 2.01 -1.26 -3.86 115.64 122.63 2akw s THR 755 Ca 0.00 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 2akw s THR 755 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2akw s THR 755 CO 0.00 -0.20 0.06 -0.76 -0.69 0.00 0.00 174.62 173.03 2akw s LEU 756 N -5.16 3.84 0.17 4.42 1.43 -1.26 -4.89 118.68 117.24 2akw s LEU 756 Ca 0.58 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.57 2akw s LEU 756 Cb -0.11 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.09 2akw s LEU 756 CO 0.45 0.25 0.80 -0.60 0.23 0.00 0.00 176.35 177.48 2akw s ARG 757 N -0.11 4.60 0.62 1.70 3.00 -1.26 -4.93 118.95 122.57 2akw s ARG 757 Ca 0.07 1.20 0.24 0.00 -1.00 0.00 0.00 55.73 56.24 2akw s ARG 757 Cb -0.12 -3.27 1.06 0.00 0.00 0.00 0.00 34.95 32.63 2akw s ARG 757 CO 0.01 0.56 1.53 -0.44 0.00 0.00 0.00 175.30 176.96 2akw h ASP 758 N 4.35 0.00 0.04 -2.12 3.32 -1.99 0.85 116.42 120.87 2akw h ASP 758 Ca -0.47 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 2akw h ASP 758 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2akw h ASP 758 CO 0.66 0.00 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.83 2akw h GLU 759 N 0.00 -0.06 -0.99 3.56 3.07 -1.98 -0.86 114.58 117.32 2akw h GLU 759 Ca 0.28 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2akw h GLU 759 Cb 1.97 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.84 2akw h GLU 759 CO -0.00 0.27 0.65 0.93 -1.40 0.00 0.00 179.01 179.46 2akw h GLU 760 N -0.39 1.30 0.11 2.33 5.08 -1.22 -1.92 114.58 119.87 2akw h GLU 760 Ca -0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2akw h GLU 760 Cb 0.35 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2akw h GLU 760 CO 0.01 0.86 -0.05 0.28 -1.00 0.00 0.00 179.01 179.10 2akw h VAL 761 N 1.33 0.00 -0.03 3.13 2.07 -1.47 -1.94 116.25 119.35 2akw h VAL 761 Ca 0.36 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2akw h VAL 761 Cb -0.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.62 2akw h VAL 761 CO -0.08 0.00 0.36 -0.33 0.02 0.00 0.00 177.57 177.55 2akw h GLU 762 N -0.39 0.00 0.17 1.57 4.39 -1.24 0.42 114.58 119.50 2akw h GLU 762 Ca -0.02 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.39 2akw h GLU 762 Cb 0.11 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2akw h GLU 762 CO 0.03 0.00 -1.39 1.49 -1.16 0.00 0.00 179.01 177.97 2akw h GLU 763 N 0.00 0.37 -0.27 2.33 4.22 -1.41 -3.21 114.58 116.60 2akw h GLU 763 Ca 0.01 -0.63 -0.10 0.00 0.08 0.00 0.00 59.36 58.72 2akw h GLU 763 Cb 0.74 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2akw h GLU 763 CO -0.00 1.30 -0.26 0.00 -2.18 0.00 0.00 179.01 177.87 2akw h ALA 764 N 0.07 1.04 0.00 2.92 0.00 0.46 0.49 119.26 124.23 2akw h ALA 764 Ca -0.27 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2akw h ALA 764 Cb 1.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2akw h ALA 764 CO 0.16 0.58 0.00 1.33 0.00 0.00 0.00 179.25 181.32 2akw n VAL 765 N -4.11 0.69 -0.12 0.00 0.24 0.93 -1.71 118.33 114.25 2akw n VAL 765 Ca -0.00 0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 62.31 2akw n VAL 765 Cb 0.42 -0.93 -0.13 0.00 -1.47 0.00 0.00 33.84 31.73 2akw n VAL 765 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2akw n SER 766 N -1.33 1.62 0.22 -1.34 7.64 -0.18 -3.11 113.62 117.15 2akw n SER 766 Ca 0.06 -0.11 0.18 0.00 1.01 0.00 0.00 58.87 60.01 2akw n SER 766 Cb 0.12 -0.12 0.86 0.00 -1.01 0.00 0.00 64.21 64.07 2akw n SER 766 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2akw h ARG 767 N 0.00 0.00 0.00 1.43 2.47 -0.09 0.45 114.38 118.64 2akw h ARG 767 Ca -0.56 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.10 2akw h ARG 767 Cb 1.96 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.27 2akw h ARG 767 CO -0.06 0.00 -0.56 0.28 0.56 0.00 0.00 179.97 180.19 2akw h VAL 768 N 0.00 0.32 -0.61 2.04 2.07 -1.63 -3.22 116.25 115.22 2akw h VAL 768 Ca 0.08 -1.35 0.18 0.00 0.82 0.00 0.00 66.70 66.42 2akw h VAL 768 Cb 0.51 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2akw h VAL 768 CO -0.00 0.11 0.58 0.00 0.02 0.00 0.00 177.57 178.27 2akw h ALA 769 N -0.82 2.41 -0.31 1.67 0.00 -1.32 1.01 119.26 121.91 2akw h ALA 769 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2akw h ALA 769 Cb 0.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2akw h ALA 769 CO -0.05 -0.89 0.00 -1.91 0.00 0.00 0.00 179.25 176.40 2akw n GLU 770 N -3.82 0.00 0.12 0.00 2.13 0.15 -2.50 120.64 116.72 2akw n GLU 770 Ca 0.12 0.45 0.10 0.00 0.66 0.00 0.00 57.16 58.49 2akw n GLU 770 Cb 0.81 -1.25 0.47 0.00 0.27 0.00 0.00 31.44 31.74 2akw n GLU 770 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2akw n ALA 771 N -1.84 1.37 -0.07 4.31 0.00 -0.89 -0.52 120.51 122.86 2akw n ALA 771 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2akw n ALA 771 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 2akw n ALA 771 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2akw h LEU 772 N 0.00 0.50 0.11 0.00 5.85 0.10 -2.33 115.31 119.54 2akw h LEU 772 Ca 0.00 -0.46 -0.32 0.00 0.84 0.00 0.00 57.88 57.94 2akw h LEU 772 Cb 0.19 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2akw h LEU 772 CO 0.00 0.86 -1.64 0.03 -0.34 0.00 0.00 178.44 177.34 2akw h ARG 773 N 0.14 0.24 0.00 1.25 3.08 -1.10 0.41 114.38 118.40 2akw h ARG 773 Ca 0.03 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2akw h ARG 773 Cb 0.71 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2akw h ARG 773 CO 0.04 1.09 0.03 0.00 -1.07 0.00 0.00 179.97 180.06 2akw h ALA 774 N 0.44 1.02 -0.00 0.04 0.00 -0.86 1.02 119.26 120.92 2akw h ALA 774 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2akw h ALA 774 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2akw h ALA 774 CO 0.14 -0.02 -0.95 0.54 0.00 0.00 0.00 179.25 178.97 2akw n ARG 775 N -2.35 0.07 0.00 0.00 5.12 -0.88 -4.97 116.66 113.66 2akw n ARG 775 Ca -0.02 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2akw n ARG 775 Cb 0.06 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 2akw n ARG 775 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2akw n GLY 776 N 1.50 1.87 3.27 -0.13 0.00 0.35 -5.08 105.19 106.96 2akw n GLY 776 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2akw n GLY 776 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2akw s PHE 777 N -2.00 1.82 0.00 1.61 0.08 0.13 -4.95 117.98 114.67 2akw s PHE 777 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2akw s PHE 777 Cb 0.00 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 2akw s PHE 777 CO 0.00 0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.66 2akw n GLY 778 N 1.58 -0.34 2.75 4.36 0.00 0.25 -2.97 105.19 110.82 2akw n GLY 778 Ca -0.18 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 2akw n GLY 778 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2akw n LEU 779 N 0.00 -3.07 -0.31 0.99 7.94 -1.26 -3.66 117.00 117.64 2akw n LEU 779 Ca 0.00 -2.90 0.25 0.00 -1.11 0.00 0.00 56.01 52.26 2akw n LEU 779 Cb 0.00 0.77 0.47 0.00 0.53 0.00 0.00 43.42 45.19 2akw n LEU 779 CO 0.00 1.90 0.93 -1.14 -1.11 0.00 0.00 177.39 177.97 2akw n ARG 780 N 2.40 -0.06 -3.28 1.96 0.63 -1.06 -4.19 116.66 113.06 2akw n ARG 780 Ca 0.14 1.34 -0.04 0.00 -0.92 0.00 0.00 57.85 58.36 2akw n ARG 780 Cb 0.60 -2.31 -0.05 0.00 0.45 0.00 0.00 32.46 31.14 2akw n ARG 780 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2akw s GLY 781 N -4.40 -0.63 0.27 5.14 0.00 -1.26 -4.96 107.32 101.48 2akw s GLY 781 Ca -0.10 1.21 -0.07 0.00 0.00 0.00 0.00 44.72 45.76 2akw s GLY 781 CO 0.74 2.94 0.56 -2.27 0.00 0.00 0.00 173.10 175.07 2akw s LEU 782 N 2.66 4.09 -1.59 0.66 0.20 -1.26 -3.17 118.68 120.28 2akw s LEU 782 Ca 0.15 0.83 -0.17 0.00 0.69 0.00 0.00 54.13 55.64 2akw s LEU 782 Cb -0.15 -3.63 0.14 0.00 -0.43 0.00 0.00 46.19 42.12 2akw s LEU 782 CO -0.18 -0.15 0.73 -0.67 -0.29 0.00 0.00 176.35 175.78 2akw n ASP 783 N -0.58 -3.39 -4.75 3.68 -0.08 -1.25 -4.83 116.55 105.34 2akw n ASP 783 Ca -0.00 -0.86 -0.41 0.00 -1.51 0.00 0.00 54.79 52.01 2akw n ASP 783 Cb 0.53 -2.79 -0.03 0.00 2.34 0.00 0.00 41.12 41.18 2akw n ASP 783 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2akw s THR 784 N -3.18 2.96 -0.30 5.18 2.01 -0.86 -4.91 115.64 116.54 2akw s THR 784 Ca 0.67 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.54 2akw s THR 784 Cb -0.37 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2akw s THR 784 CO 0.83 0.17 0.08 -2.65 -0.69 0.00 0.00 174.62 172.35