#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4m n PRO 6 N 0.00 2.03 -3.62 -1.09 -0.04 -1.26 -3.29 135.00 127.73 2c4m n PRO 6 Ca 0.00 0.57 -0.26 0.00 -0.04 0.00 0.00 63.50 63.77 2c4m n PRO 6 Cb 0.00 -3.23 0.03 0.00 -0.04 0.00 0.00 33.50 30.26 2c4m n PRO 6 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2c4m n LEU 7 N 11.43 -3.19 -4.80 1.53 7.94 -1.26 -4.88 117.00 123.78 2c4m n LEU 7 Ca 0.29 -0.87 -0.33 0.00 -1.11 0.00 0.00 56.01 53.99 2c4m n LEU 7 Cb 0.45 -2.36 -0.01 0.00 0.53 0.00 0.00 43.42 42.02 2c4m n LEU 7 CO 0.66 0.22 0.72 -2.16 -1.11 0.00 0.00 177.39 175.72 2c4m s PRO 8 N -5.37 3.52 0.56 1.96 0.04 -1.21 -4.59 135.00 129.91 2c4m s PRO 8 Ca 0.31 1.30 0.27 0.00 0.04 0.00 0.00 61.00 62.92 2c4m s PRO 8 Cb -0.12 -2.06 1.49 0.00 0.04 0.00 0.00 34.50 33.86 2c4m s PRO 8 CO 0.85 -0.66 2.02 0.00 0.04 0.00 0.00 177.00 179.26 2c4m h ALA 9 N 0.95 2.17 -0.16 8.56 0.00 -1.92 -1.86 119.26 127.00 2c4m h ALA 9 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2c4m h ALA 9 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2c4m h ALA 9 CO 0.58 -0.50 -0.04 0.00 0.00 0.00 0.00 179.25 179.29 2c4m h ALA 10 N 1.71 0.21 0.12 0.00 0.00 -1.96 0.22 119.26 119.56 2c4m h ALA 10 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2c4m h ALA 10 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2c4m h ALA 10 CO -0.00 -0.03 -0.06 1.25 0.00 0.00 0.00 179.25 180.41 2c4m h LEU 11 N 0.00 -0.13 -0.87 0.00 5.85 -1.74 -1.79 115.31 116.63 2c4m h LEU 11 Ca 0.04 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2c4m h LEU 11 Cb 0.46 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2c4m h LEU 11 CO 0.01 0.09 0.55 0.58 -0.34 0.00 0.00 178.44 179.34 2c4m h VAL 12 N -0.36 1.08 -0.96 1.05 2.07 -1.38 -2.00 116.25 115.75 2c4m h VAL 12 Ca -0.02 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2c4m h VAL 12 Cb 0.29 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 2c4m h VAL 12 CO 0.03 0.19 0.62 1.23 0.02 0.00 0.00 177.57 179.65 2c4m h GLY 13 N 1.03 1.36 0.86 2.17 0.00 -0.46 -1.45 103.07 106.58 2c4m h GLY 13 Ca 0.37 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.19 2c4m h GLY 13 CO -0.15 0.51 0.14 0.23 0.00 0.00 0.00 176.54 177.27 2c4m h SER 14 N 1.31 0.20 0.55 0.19 0.87 -0.58 0.69 113.55 116.78 2c4m h SER 14 Ca 0.35 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.80 2c4m h SER 14 Cb -0.13 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2c4m h SER 14 CO -0.07 0.15 -0.57 0.45 -0.53 0.00 0.00 176.83 176.26 2c4m h HIS 15 N 0.29 0.03 -0.07 2.24 3.86 -1.14 -2.19 115.15 118.17 2c4m h HIS 15 Ca 0.12 -0.01 -0.23 0.00 -1.16 0.00 0.00 60.37 59.09 2c4m h HIS 15 Cb 0.04 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.52 2c4m h HIS 15 CO -0.10 0.58 -0.88 0.28 0.86 0.00 0.00 177.93 178.67 2c4m h VAL 16 N 0.02 1.32 -0.68 2.45 2.07 -0.98 -2.58 116.25 117.86 2c4m h VAL 16 Ca -0.01 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 2c4m h VAL 16 Cb 1.01 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 2c4m h VAL 16 CO 0.07 0.67 0.29 0.03 0.02 0.00 0.00 177.57 178.66 2c4m h ARG 17 N 0.40 0.98 -0.08 1.57 3.08 -0.64 -0.09 114.38 119.60 2c4m h ARG 17 Ca -0.08 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 2c4m h ARG 17 Cb 1.51 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 2c4m h ARG 17 CO 0.17 0.78 -0.40 0.00 -1.07 0.00 0.00 179.97 179.45 2c4m h ALA 18 N 1.35 1.18 0.11 0.04 0.00 -1.30 -0.65 119.26 119.98 2c4m h ALA 18 Ca 0.23 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2c4m h ALA 18 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2c4m h ALA 18 CO -0.02 0.56 -1.36 0.00 0.00 0.00 0.00 179.25 178.43 2c4m h ALA 19 N 1.44 0.23 0.00 0.00 0.00 -1.10 -3.38 119.26 116.44 2c4m h ALA 19 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2c4m h ALA 19 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2c4m h ALA 19 CO 0.06 1.10 -1.62 0.00 0.00 0.00 0.00 179.25 178.79 2c4m n ALA 20 N -2.57 2.80 -2.57 0.00 0.00 -0.08 -4.98 120.51 113.10 2c4m n ALA 20 Ca -0.11 -0.43 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 2c4m n ALA 20 Cb 1.03 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 19.61 2c4m n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c4m n GLY 21 N 1.25 -0.32 3.49 0.00 0.00 -0.26 -4.97 105.19 104.37 2c4m n GLY 21 Ca -0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2c4m n GLY 21 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c4m s THR 22 N -2.95 0.00 0.52 2.61 -1.32 -1.25 -5.11 115.64 108.14 2c4m s THR 22 Ca 0.11 -0.14 -0.22 0.00 -1.21 0.00 0.00 61.69 60.23 2c4m s THR 22 Cb -0.05 -1.15 -0.06 0.00 -1.51 0.00 0.00 72.50 69.74 2c4m s THR 22 CO 0.14 0.00 1.27 -2.84 -2.21 0.00 0.00 174.62 170.98 2c4m s PRO 23 N -3.68 3.33 0.48 7.08 0.02 -1.26 -4.43 135.00 136.53 2c4m s PRO 23 Ca 0.03 2.02 0.31 0.00 0.02 0.00 0.00 61.00 63.38 2c4m s PRO 23 Cb -0.02 -2.27 1.40 0.00 0.02 0.00 0.00 34.50 33.64 2c4m s PRO 23 CO -0.10 -0.97 1.74 0.00 -0.33 0.00 0.00 177.00 177.34 2c4m h ALA 24 N 1.59 2.83 0.00 -1.55 0.00 -1.89 0.27 119.26 120.50 2c4m h ALA 24 Ca -0.50 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2c4m h ALA 24 Cb 1.28 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2c4m h ALA 24 CO 0.58 -1.26 -0.06 0.38 0.00 0.00 0.00 179.25 178.89 2c4m h ASP 25 N 0.14 0.00 0.02 0.00 2.03 -1.89 -3.11 116.42 113.62 2c4m h ASP 25 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 2c4m h ASP 25 Cb 2.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.70 2c4m h ASP 25 CO -0.17 0.06 -0.35 0.18 -1.03 0.00 0.00 179.24 177.94 2c4m n LEU 26 N -3.14 2.02 -4.72 0.15 4.77 0.92 -4.91 117.00 112.09 2c4m n LEU 26 Ca 0.02 -0.71 -0.34 0.00 -0.03 0.00 0.00 56.01 54.95 2c4m n LEU 26 Cb 0.45 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2c4m n LEU 26 CO 0.32 0.37 0.78 0.00 -1.33 0.00 0.00 177.39 177.53 2c4m s ALA 27 N -2.38 2.10 0.80 -1.18 0.00 -1.05 -4.97 121.76 115.08 2c4m s ALA 27 Ca 0.22 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 2c4m s ALA 27 Cb 0.19 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.93 2c4m s ALA 27 CO 0.51 -1.90 1.10 0.95 0.00 0.00 0.00 175.76 176.43 2c4m s THR 28 N -2.10 2.94 0.35 0.00 -4.23 -1.26 -4.83 115.64 106.51 2c4m s THR 28 Ca 0.73 0.31 0.03 0.00 -1.18 0.00 0.00 61.69 61.58 2c4m s THR 28 Cb -0.27 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.68 2c4m s THR 28 CO 0.46 -0.40 1.94 0.44 -0.54 0.00 0.00 174.62 176.52 2c4m h ASP 29 N -1.09 0.59 0.20 3.99 3.32 -1.98 -0.95 116.42 120.49 2c4m h ASP 29 Ca -0.47 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 2c4m h ASP 29 Cb 1.28 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2c4m h ASP 29 CO 0.60 0.54 -0.10 -0.09 -1.72 0.00 0.00 179.24 178.48 2c4m h ARG 30 N 0.65 -0.26 -0.14 3.56 9.65 -1.94 -0.85 114.38 125.04 2c4m h ARG 30 Ca 0.16 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.00 2c4m h ARG 30 Cb 0.14 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2c4m h ARG 30 CO -0.01 -0.10 -0.15 0.87 2.80 0.00 0.00 179.97 183.37 2c4m h LYS 31 N -0.35 0.22 -0.37 0.20 1.79 -1.85 -1.63 116.57 114.57 2c4m h LYS 31 Ca -0.03 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 2c4m h LYS 31 Cb 0.27 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2c4m h LYS 31 CO 0.05 0.38 -0.29 0.35 -1.08 0.00 0.00 179.45 178.85 2c4m h PHE 32 N 0.21 1.01 -0.90 -1.35 3.04 -0.99 -1.00 116.94 116.97 2c4m h PHE 32 Ca 0.04 -0.28 0.07 0.00 3.98 0.00 0.00 57.97 61.78 2c4m h PHE 32 Cb 0.40 -0.22 -0.07 0.00 2.56 0.00 0.00 35.95 38.62 2c4m h PHE 32 CO 0.01 1.08 0.56 2.35 -2.02 0.00 0.00 178.31 180.28 2c4m h TRP 33 N 0.66 1.03 -0.34 0.41 7.01 -0.60 0.23 115.95 124.35 2c4m h TRP 33 Ca 0.07 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 2c4m h TRP 33 Cb 0.87 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 2c4m h TRP 33 CO 0.06 0.51 0.11 1.15 -2.79 0.00 0.00 178.44 177.48 2c4m h THR 34 N 1.00 1.21 -0.07 2.65 2.02 -1.03 -1.02 112.91 117.67 2c4m h THR 34 Ca 0.40 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2c4m h THR 34 Cb 0.21 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2c4m h THR 34 CO -0.19 0.23 0.03 1.23 0.37 0.00 0.00 175.52 177.20 2c4m h GLY 35 N 0.40 0.10 0.88 2.16 0.00 -0.51 -1.04 103.07 105.06 2c4m h GLY 35 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.42 2c4m h GLY 35 CO -0.00 0.05 0.53 -2.00 0.00 0.00 0.00 176.54 175.11 2c4m h LEU 36 N -0.01 0.88 -1.06 3.11 5.85 -0.50 0.79 115.31 124.37 2c4m h LEU 36 Ca 0.02 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2c4m h LEU 36 Cb 0.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2c4m h LEU 36 CO -0.00 0.61 -0.40 0.28 -0.34 0.00 0.00 178.44 178.59 2c4m h SER 37 N 1.03 0.15 0.15 1.25 0.02 -1.05 -1.88 113.55 113.23 2c4m h SER 37 Ca 0.33 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 2c4m h SER 37 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2c4m h SER 37 CO -0.11 0.54 -0.43 0.03 -1.14 0.00 0.00 176.83 175.71 2c4m h ARG 38 N 0.12 0.35 -0.43 3.45 2.47 -0.37 -1.86 114.38 118.11 2c4m h ARG 38 Ca 0.01 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2c4m h ARG 38 Cb 0.76 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 2c4m h ARG 38 CO 0.06 0.72 0.23 0.00 0.56 0.00 0.00 179.97 181.54 2c4m h ALA 39 N 1.26 0.55 -0.58 0.04 0.00 -0.30 -1.38 119.26 118.85 2c4m h ALA 39 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2c4m h ALA 39 Cb 0.88 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2c4m h ALA 39 CO 0.07 0.08 0.38 0.28 0.00 0.00 0.00 179.25 180.06 2c4m h VAL 40 N 0.56 1.14 -0.86 0.00 2.07 -1.13 -2.09 116.25 115.93 2c4m h VAL 40 Ca 0.15 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2c4m h VAL 40 Cb 0.07 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2c4m h VAL 40 CO -0.02 0.14 0.55 1.56 0.02 0.00 0.00 177.57 179.82 2c4m h GLN 41 N 0.77 1.15 -0.38 1.57 1.08 -1.03 -2.06 115.11 116.21 2c4m h GLN 41 Ca 0.22 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2c4m h GLN 41 Cb -0.07 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.08 2c4m h GLN 41 CO -0.05 0.77 0.22 1.49 -0.95 0.00 0.00 178.83 180.31 2c4m h GLU 42 N 1.18 0.44 -0.02 1.46 4.22 -0.91 -1.74 114.58 119.21 2c4m h GLU 42 Ca 0.31 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.63 2c4m h GLU 42 Cb -0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2c4m h GLU 42 CO -0.06 0.29 -0.45 0.00 -2.18 0.00 0.00 179.01 176.61 2c4m h ARG 43 N 0.45 0.04 0.00 1.92 2.47 -0.71 -3.18 114.38 115.37 2c4m h ARG 43 Ca 0.15 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2c4m h ARG 43 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2c4m h ARG 43 CO -0.07 0.48 -0.89 0.44 0.56 0.00 0.00 179.97 180.50 2c4m n ILE 44 N -4.00 0.01 -0.26 2.04 -5.35 -0.90 -4.49 119.36 106.40 2c4m n ILE 44 Ca -0.02 -0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.48 2c4m n ILE 44 Cb 0.48 0.75 0.12 0.00 -1.74 0.00 0.00 39.64 39.25 2c4m n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2c4m h ALA 45 N 2.96 0.63 0.15 -1.28 0.00 -1.29 0.29 119.26 120.72 2c4m h ALA 45 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2c4m h ALA 45 Cb 0.52 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2c4m h ALA 45 CO 0.00 -0.42 -0.07 -0.44 0.00 0.00 0.00 179.25 178.31 2c4m h ASP 46 N 0.03 -0.17 -0.99 0.00 3.32 -1.79 -1.67 116.42 115.14 2c4m h ASP 46 Ca 0.39 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.46 2c4m h ASP 46 Cb 0.65 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 2c4m h ASP 46 CO -0.75 -0.09 0.64 0.44 -1.72 0.00 0.00 179.24 177.77 2c4m h ASP 47 N -0.25 1.06 -0.40 6.45 3.32 -1.62 -1.72 116.42 123.27 2c4m h ASP 47 Ca -0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2c4m h ASP 47 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2c4m h ASP 47 CO 0.03 0.72 0.19 -0.25 -1.72 0.00 0.00 179.24 178.21 2c4m h TRP 48 N 1.23 0.58 -0.42 4.55 2.91 -0.24 -0.64 115.95 123.91 2c4m h TRP 48 Ca 0.40 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.34 2c4m h TRP 48 Cb 0.04 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 2c4m h TRP 48 CO -0.00 0.49 0.05 1.49 -1.03 0.00 0.00 178.44 179.43 2c4m h GLU 49 N 0.51 0.65 -0.34 2.65 4.57 -0.89 -1.10 114.58 120.63 2c4m h GLU 49 Ca 0.14 -0.14 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 2c4m h GLU 49 Cb 0.12 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2c4m h GLU 49 CO -0.02 0.64 -0.37 0.00 -1.18 0.00 0.00 179.01 178.08 2c4m h ARG 50 N 0.63 0.80 -0.76 1.92 3.08 -0.80 -1.48 114.38 117.77 2c4m h ARG 50 Ca 0.14 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2c4m h ARG 50 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2c4m h ARG 50 CO 0.01 1.04 0.47 1.15 -1.07 0.00 0.00 179.97 181.57 2c4m h THR 51 N 0.66 1.21 -0.81 2.04 2.02 -0.87 0.38 112.91 117.53 2c4m h THR 51 Ca 0.06 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.82 2c4m h THR 51 Cb 0.92 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2c4m h THR 51 CO 0.08 0.21 0.54 0.03 0.37 0.00 0.00 175.52 176.75 2c4m h ARG 52 N 1.03 1.05 -0.37 6.66 3.08 -0.24 0.69 114.38 126.29 2c4m h ARG 52 Ca 0.27 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 2c4m h ARG 52 Cb -0.07 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 2c4m h ARG 52 CO -0.05 0.70 -0.39 0.93 -1.07 0.00 0.00 179.97 180.08 2c4m h GLU 53 N 1.09 0.91 0.22 0.04 5.08 -0.75 -0.77 114.58 120.40 2c4m h GLU 53 Ca 0.30 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2c4m h GLU 53 Cb -0.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2c4m h GLU 53 CO -0.07 1.13 -0.10 0.00 -1.00 0.00 0.00 179.01 178.97 2c4m h ALA 54 N 0.80 -0.29 -0.65 3.43 0.00 -0.45 -2.99 119.26 119.10 2c4m h ALA 54 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2c4m h ALA 54 Cb 0.98 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2c4m h ALA 54 CO 0.09 -0.59 0.19 1.88 0.00 0.00 0.00 179.25 180.83 2c4m h TYR 55 N -0.44 1.02 -0.05 0.00 -1.99 -0.90 -2.64 116.97 111.97 2c4m h TYR 55 Ca -0.03 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.62 2c4m h TYR 55 Cb 0.33 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.76 2c4m h TYR 55 CO -0.02 0.82 0.10 0.78 -0.00 0.00 0.00 178.16 179.84 2c4m h GLY 56 N 1.05 0.00 -1.94 3.88 0.00 -1.00 -1.06 103.07 103.99 2c4m h GLY 56 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2c4m h GLY 56 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 2c4m n ALA 57 N -2.18 2.45 -2.43 3.60 0.00 -1.00 -4.97 120.51 115.97 2c4m n ALA 57 Ca -0.02 -0.77 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 2c4m n ALA 57 Cb 0.19 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2c4m n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4m s ALA 58 N -1.77 3.73 0.24 0.00 0.00 -0.40 -5.09 121.76 118.46 2c4m s ALA 58 Ca 0.30 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.12 2c4m s ALA 58 Cb 0.20 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 2c4m s ALA 58 CO 0.29 -0.06 1.21 0.50 0.00 0.00 0.00 175.76 177.71 2c4m s ARG 59 N -3.96 4.48 0.30 0.00 3.52 -1.26 -4.94 118.95 117.10 2c4m s ARG 59 Ca 0.41 1.95 0.10 0.00 -0.13 0.00 0.00 55.73 58.07 2c4m s ARG 59 Cb -0.03 -3.19 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2c4m s ARG 59 CO 0.25 -0.06 -0.15 -0.65 -0.81 0.00 0.00 175.30 173.88 2c4m s GLN 60 N -0.79 1.70 -0.03 5.12 -0.21 0.97 -4.76 119.66 121.66 2c4m s GLN 60 Ca 0.51 -1.82 0.07 0.00 0.02 0.00 0.00 55.36 54.14 2c4m s GLN 60 Cb -0.34 -1.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.98 2c4m s GLN 60 CO 0.41 0.23 -0.24 -1.14 -2.12 0.00 0.00 175.29 172.43 2c4m s GLN 61 N -3.57 2.19 -0.29 2.91 2.00 -0.45 -1.03 119.66 121.42 2c4m s GLN 61 Ca 0.30 -0.90 0.03 0.00 -2.00 0.00 0.00 55.36 52.80 2c4m s GLN 61 Cb -0.02 -2.09 0.07 0.00 0.80 0.00 0.00 33.01 31.77 2c4m s GLN 61 CO 0.15 0.56 -0.05 -1.01 -0.50 0.00 0.00 175.29 174.44 2c4m s HIS 62 N -0.61 3.43 -0.61 1.67 3.76 0.13 -0.93 115.29 122.13 2c4m s HIS 62 Ca 0.10 -2.51 -0.25 0.00 -0.15 0.00 0.00 55.06 52.24 2c4m s HIS 62 Cb -0.10 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.35 2c4m s HIS 62 CO -0.01 -0.90 1.06 -0.47 -0.85 0.00 0.00 174.74 173.57 2c4m s TYR 63 N 1.05 2.64 -0.18 1.40 5.04 0.32 -1.22 117.35 126.40 2c4m s TYR 63 Ca -0.02 -0.02 -0.23 0.00 -2.44 0.00 0.00 57.07 54.36 2c4m s TYR 63 Cb -0.20 -4.30 -0.02 0.00 0.35 0.00 0.00 41.96 37.79 2c4m s TYR 63 CO -0.06 -1.58 0.71 -0.06 -1.34 0.00 0.00 175.55 173.23 2c4m s PHE 64 N 4.49 3.40 -0.14 4.97 0.40 -0.60 -1.05 117.98 129.45 2c4m s PHE 64 Ca 0.32 1.07 -0.10 0.00 -0.60 0.00 0.00 56.93 57.62 2c4m s PHE 64 Cb -0.11 -2.88 0.04 0.00 0.51 0.00 0.00 43.02 40.58 2c4m s PHE 64 CO 0.18 -0.19 0.35 0.45 0.70 0.00 0.00 175.22 176.71 2c4m s SER 65 N 1.17 -0.40 0.00 1.36 0.15 -0.96 -2.37 113.70 112.65 2c4m s SER 65 Ca 0.33 0.73 0.16 0.00 0.70 0.00 0.00 55.95 57.87 2c4m s SER 65 Cb -0.16 0.68 0.93 0.00 -1.71 0.00 0.00 66.02 65.75 2c4m s SER 65 CO 0.11 -0.15 1.34 0.00 1.20 0.00 0.00 173.24 175.74 2c4m n ALA 66 N 3.61 2.10 -3.55 5.45 0.00 -1.26 -4.38 120.51 122.47 2c4m n ALA 66 Ca -0.19 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 2c4m n ALA 66 Cb 0.56 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 2c4m n ALA 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2c4m s GLU 67 N -2.00 0.88 -0.19 0.00 -1.05 -1.26 -4.80 118.70 110.28 2c4m s GLU 67 Ca 0.23 0.66 -0.05 0.00 -0.15 0.00 0.00 54.97 55.67 2c4m s GLU 67 Cb 0.11 0.42 0.06 0.00 -0.44 0.00 0.00 34.13 34.29 2c4m s GLU 67 CO 0.18 -0.18 0.09 -0.06 0.95 0.00 0.00 175.26 176.24 2c4m s PHE 68 N -0.25 0.30 -1.26 4.83 0.40 -0.19 -4.34 117.98 117.47 2c4m s PHE 68 Ca -0.04 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 2c4m s PHE 68 Cb -0.03 -0.75 0.15 0.00 0.51 0.00 0.00 43.02 42.90 2c4m s PHE 68 CO 0.04 -0.55 1.67 -0.11 0.70 0.00 0.00 175.22 176.97 2c4m n LEU 69 N 5.25 5.83 0.21 -0.37 7.94 -0.72 -2.47 117.00 132.67 2c4m n LEU 69 Ca -0.07 -4.47 0.07 0.00 -1.11 0.00 0.00 56.01 50.43 2c4m n LEU 69 Cb 0.48 -1.58 0.45 0.00 0.53 0.00 0.00 43.42 43.30 2c4m n LEU 69 CO 0.10 0.95 0.77 0.24 -1.11 0.00 0.00 177.39 178.34 2c4m h MET 70 N 6.58 0.00 0.00 1.96 2.86 -1.86 -3.42 114.93 121.04 2c4m h MET 70 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2c4m h MET 70 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2c4m h MET 70 CO 1.44 0.30 0.00 0.41 1.06 0.00 0.00 176.91 180.12 2c4m n GLY 71 N -0.17 0.38 3.85 8.32 0.00 -1.26 -4.74 105.19 111.56 2c4m n GLY 71 Ca -0.01 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2c4m n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c4m s ARG 72 N 0.00 3.95 -0.19 1.61 0.52 -1.26 -1.56 118.95 122.03 2c4m s ARG 72 Ca 0.00 0.73 0.08 0.00 -0.52 0.00 0.00 55.73 56.02 2c4m s ARG 72 Cb 0.00 -2.32 -0.17 0.00 0.52 0.00 0.00 34.95 32.98 2c4m s ARG 72 CO 0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 175.30 175.23 2c4m n ALA 73 N -0.96 1.57 0.29 2.13 0.00 -1.26 -4.62 120.51 117.67 2c4m n ALA 73 Ca 0.04 -0.98 -0.18 0.00 0.00 0.00 0.00 53.44 52.32 2c4m n ALA 73 Cb 0.54 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2c4m n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2c4m h LEU 74 N 0.00 -1.40 -0.73 0.00 5.85 -1.97 -0.10 115.31 116.95 2c4m h LEU 74 Ca -0.45 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2c4m h LEU 74 Cb 1.85 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 43.30 2c4m h LEU 74 CO -0.03 -0.67 0.47 0.25 -0.34 0.00 0.00 178.44 178.12 2c4m h LEU 75 N -1.01 0.77 -0.62 2.25 5.85 -1.96 -0.16 115.31 120.44 2c4m h LEU 75 Ca -0.06 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2c4m h LEU 75 Cb 0.88 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2c4m h LEU 75 CO -0.07 0.54 0.37 -1.13 -0.34 0.00 0.00 178.44 177.81 2c4m h ASN 76 N 0.92 0.59 -0.31 1.25 -1.24 -1.78 0.70 115.58 115.71 2c4m h ASN 76 Ca 0.29 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.20 2c4m h ASN 76 Cb 0.00 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2c4m h ASN 76 CO -0.10 0.41 -0.23 0.78 -1.29 0.00 0.00 177.43 177.00 2c4m h ASN 77 N 0.72 0.73 -0.82 1.15 2.35 -0.43 -1.21 115.58 118.07 2c4m h ASN 77 Ca 0.26 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 2c4m h ASN 77 Cb 0.06 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 2c4m h ASN 77 CO -0.12 1.02 0.47 -0.07 -1.65 0.00 0.00 177.43 177.08 2c4m h LEU 78 N 0.45 1.00 -0.04 1.61 3.38 -0.78 -1.25 115.31 119.69 2c4m h LEU 78 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2c4m h LEU 78 Cb 0.78 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2c4m h LEU 78 CO 0.06 0.79 -0.00 0.74 0.09 0.00 0.00 178.44 180.12 2c4m h THR 79 N 1.14 1.27 0.00 0.22 2.02 -0.73 0.25 112.91 117.08 2c4m h THR 79 Ca 0.29 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2c4m h THR 79 Cb -0.01 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2c4m h THR 79 CO -0.05 0.22 -0.13 0.78 0.37 0.00 0.00 175.52 176.71 2c4m h ASN 80 N -0.24 0.00 0.09 4.18 2.35 -1.01 -2.12 115.58 118.83 2c4m h ASN 80 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2c4m h ASN 80 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2c4m h ASN 80 CO 0.00 0.13 -0.29 0.18 -1.65 0.00 0.00 177.43 175.80 2c4m n LEU 81 N -3.47 1.63 -3.48 1.61 4.77 -0.49 -3.55 117.00 114.02 2c4m n LEU 81 Ca -0.01 -0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 55.25 2c4m n LEU 81 Cb 0.29 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 2c4m n LEU 81 CO 0.30 0.30 0.08 0.61 -1.33 0.00 0.00 177.39 177.34 2c4m n GLY 82 N 1.35 -0.35 0.00 -0.72 0.00 -0.58 -4.96 105.19 99.93 2c4m n GLY 82 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2c4m n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c4m n LEU 83 N -4.16 1.76 -0.24 0.99 4.77 0.79 -4.82 117.00 116.10 2c4m n LEU 83 Ca -0.29 -1.76 0.01 0.00 -0.03 0.00 0.00 56.01 53.94 2c4m n LEU 83 Cb 0.67 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.89 2c4m n LEU 83 CO 0.62 0.44 1.07 0.58 -1.33 0.00 0.00 177.39 178.77 2c4m h VAL 84 N 0.18 0.87 -0.48 4.08 2.07 -1.91 -1.02 116.25 120.03 2c4m h VAL 84 Ca 0.00 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 2c4m h VAL 84 Cb 0.47 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2c4m h VAL 84 CO 0.00 0.11 -0.05 0.44 0.02 0.00 0.00 177.57 178.09 2c4m h ASP 85 N 0.61 0.88 -0.17 0.57 3.32 -1.94 -0.53 116.42 119.16 2c4m h ASP 85 Ca 0.34 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2c4m h ASP 85 Cb 0.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2c4m h ASP 85 CO -0.25 1.00 0.07 -0.33 -1.72 0.00 0.00 179.24 178.00 2c4m h GLU 86 N 0.74 0.26 -0.62 3.56 3.07 -1.81 0.45 114.58 120.23 2c4m h GLU 86 Ca 0.13 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.02 2c4m h GLU 86 Cb 0.58 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.39 2c4m h GLU 86 CO 0.03 0.35 0.28 0.00 -1.40 0.00 0.00 179.01 178.28 2c4m h ALA 87 N 0.90 0.82 -0.25 3.43 0.00 -1.15 0.65 119.26 123.65 2c4m h ALA 87 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2c4m h ALA 87 Cb 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2c4m h ALA 87 CO -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 2c4m h ALA 88 N 1.38 0.16 0.58 0.00 0.00 -0.87 0.20 119.26 120.72 2c4m h ALA 88 Ca 0.30 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2c4m h ALA 88 Cb 0.30 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2c4m h ALA 88 CO -0.25 -0.47 -0.28 0.00 0.00 0.00 0.00 179.25 178.25 2c4m h ALA 89 N 1.24 -0.78 -0.46 0.00 0.00 -0.03 -1.22 119.26 118.00 2c4m h ALA 89 Ca 0.12 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2c4m h ALA 89 Cb 0.18 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2c4m h ALA 89 CO -0.26 -0.90 -0.13 0.00 0.00 0.00 0.00 179.25 177.96 2c4m h ALA 90 N -0.47 0.29 -0.27 0.00 0.00 0.37 -0.23 119.26 118.93 2c4m h ALA 90 Ca -0.08 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2c4m h ALA 90 Cb 0.63 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2c4m h ALA 90 CO 0.13 -0.46 0.12 1.15 0.00 0.00 0.00 179.25 180.20 2c4m h THR 91 N -0.02 1.16 -0.56 0.00 2.02 -0.50 -1.38 112.91 113.63 2c4m h THR 91 Ca 0.22 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 2c4m h THR 91 Cb 0.36 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2c4m h THR 91 CO -0.49 0.16 -0.03 -0.09 0.37 0.00 0.00 175.52 175.44 2c4m h ARG 92 N 0.30 1.02 -0.27 6.66 2.43 -0.92 -0.55 114.38 123.05 2c4m h ARG 92 Ca 0.09 -0.34 0.08 0.00 -0.81 0.00 0.00 59.98 59.00 2c4m h ARG 92 Cb 0.14 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2c4m h ARG 92 CO -0.01 1.03 0.23 1.49 -1.51 0.00 0.00 179.97 181.19 2c4m h GLU 93 N 0.90 0.00 -0.68 0.20 4.81 -0.88 0.25 114.58 119.18 2c4m h GLU 93 Ca 0.16 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2c4m h GLU 93 Cb 0.59 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.89 2c4m h GLU 93 CO 0.04 0.00 0.17 1.28 -0.73 0.00 0.00 179.01 179.77 2c4m n LEU 94 N -4.16 5.98 0.00 1.64 4.77 -0.53 -4.93 117.00 119.77 2c4m n LEU 94 Ca 0.04 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 2c4m n LEU 94 Cb 0.38 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2c4m n LEU 94 CO 0.32 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2c4m n GLY 95 N 0.13 0.43 3.35 -0.72 0.00 0.89 -4.13 105.19 105.13 2c4m n GLY 95 Ca 0.36 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 2c4m n GLY 95 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c4m s HIS 96 N -2.00 1.64 -0.18 1.61 3.76 -0.30 -5.00 115.29 114.82 2c4m s HIS 96 Ca 0.00 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 54.01 2c4m s HIS 96 Cb 0.00 -0.95 -0.02 0.00 1.11 0.00 0.00 32.58 32.73 2c4m s HIS 96 CO 0.00 0.04 -0.06 -2.00 -0.85 0.00 0.00 174.74 171.86 2c4m s GLU 97 N -3.83 3.46 0.37 1.40 2.56 -1.26 -2.52 118.70 118.88 2c4m s GLU 97 Ca 0.28 -0.61 0.09 0.00 0.00 0.00 0.00 54.97 54.73 2c4m s GLU 97 Cb 0.05 -2.89 0.83 0.00 2.00 0.00 0.00 34.13 34.13 2c4m s GLU 97 CO 0.09 0.03 1.90 1.25 -0.56 0.00 0.00 175.26 177.97 2c4m h LEU 98 N 7.35 0.62 -1.50 2.70 5.85 -1.90 -0.91 115.31 127.52 2c4m h LEU 98 Ca -0.34 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2c4m h LEU 98 Cb 1.18 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2c4m h LEU 98 CO 0.60 0.34 0.35 0.00 -0.34 0.00 0.00 178.44 179.39 2c4m h THR 99 N 0.67 1.11 -0.12 1.05 1.03 -1.99 -0.89 112.91 113.77 2c4m h THR 99 Ca 0.40 -0.23 -0.20 0.00 -0.01 0.00 0.00 66.41 66.37 2c4m h THR 99 Cb 0.62 0.37 0.01 0.00 -1.07 0.00 0.00 68.15 68.08 2c4m h THR 99 CO -0.17 0.12 -0.69 0.44 -0.01 0.00 0.00 175.52 175.22 2c4m h ASP 100 N 0.68 0.81 -0.65 0.00 3.32 -1.61 -3.21 116.42 115.77 2c4m h ASP 100 Ca 0.20 -0.65 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2c4m h ASP 100 Cb -0.02 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 2c4m h ASP 100 CO -0.05 1.33 0.40 0.40 -1.72 0.00 0.00 179.24 179.60 2c4m h ILE 101 N 0.36 1.06 -0.29 0.35 1.08 -0.86 -2.27 117.51 116.93 2c4m h ILE 101 Ca -0.05 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2c4m h ILE 101 Cb 1.33 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2c4m h ILE 101 CO 0.14 0.14 0.08 -0.07 -0.69 0.00 0.00 178.15 177.75 2c4m h LEU 102 N 0.77 0.37 -1.02 1.44 3.38 -1.25 -2.35 115.31 116.65 2c4m h LEU 102 Ca 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2c4m h LEU 102 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2c4m h LEU 102 CO -0.12 0.37 0.00 -0.33 0.09 0.00 0.00 178.44 178.45 2c4m h GLU 103 N 0.41 0.00 -0.77 1.13 4.39 -1.40 -3.08 114.58 115.25 2c4m h GLU 103 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2c4m h GLU 103 Cb 0.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2c4m h GLU 103 CO -0.01 0.00 0.44 0.82 -1.16 0.00 0.00 179.01 179.11 2c4m h ILE 104 N 0.00 1.22 -3.21 3.13 1.08 -1.43 -3.44 117.51 114.87 2c4m h ILE 104 Ca 0.00 -0.53 -0.53 0.00 -0.39 0.00 0.00 64.86 63.42 2c4m h ILE 104 Cb 0.32 0.17 0.01 0.00 -3.07 0.00 0.00 36.82 34.26 2c4m h ILE 104 CO 0.00 0.24 0.62 -0.70 -0.69 0.00 0.00 178.15 177.62 2c4m s GLU 105 N -5.91 4.41 0.21 2.37 2.12 -1.17 -5.03 118.70 115.69 2c4m s GLU 105 Ca -0.13 1.91 -0.09 0.00 0.36 0.00 0.00 54.97 57.02 2c4m s GLU 105 Cb 0.15 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.19 2c4m s GLU 105 CO 0.80 -0.28 0.52 -0.80 -0.54 0.00 0.00 175.26 174.96 2c4m s ASN 106 N 0.83 6.61 0.26 -1.70 -0.87 -1.26 -4.98 114.94 113.83 2c4m s ASN 106 Ca 0.59 0.87 -0.30 0.00 -1.57 0.00 0.00 52.86 52.44 2c4m s ASN 106 Cb -0.33 -2.20 -0.13 0.00 -0.02 0.00 0.00 41.25 38.56 2c4m s ASN 106 CO 0.32 -0.04 1.34 0.47 -2.57 0.00 0.00 177.10 176.62 2c4m n ASP 107 N -0.03 2.59 -4.65 -1.22 8.00 -1.26 -4.69 116.55 115.29 2c4m n ASP 107 Ca -0.00 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.23 2c4m n ASP 107 Cb 0.52 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 2c4m n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c4m s ALA 108 N -0.34 3.43 -1.52 2.24 0.00 -0.60 -4.83 121.76 120.13 2c4m s ALA 108 Ca 0.65 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 2c4m s ALA 108 Cb -0.65 -3.83 -0.01 0.00 0.00 0.00 0.00 23.12 18.64 2c4m s ALA 108 CO 0.53 -1.72 2.53 0.00 0.00 0.00 0.00 175.76 177.10 2c4m n ALA 109 N 8.02 6.42 0.35 0.00 0.00 -1.26 -4.16 120.51 129.87 2c4m n ALA 109 Ca 0.19 -3.76 0.07 0.00 0.00 0.00 0.00 53.44 49.94 2c4m n ALA 109 Cb 0.43 -3.43 0.09 0.00 0.00 0.00 0.00 19.45 16.54 2c4m n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2c4m n LEU 110 N 4.85 2.38 -4.06 0.00 4.77 -1.25 -3.31 117.00 120.37 2c4m n LEU 110 Ca 0.63 -1.27 -0.15 0.00 -0.03 0.00 0.00 56.01 55.19 2c4m n LEU 110 Cb 0.32 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2c4m n LEU 110 CO 0.87 0.49 0.19 -0.83 -1.33 0.00 0.00 177.39 176.79 2c4m s GLY 111 N -1.08 1.46 0.07 -0.72 0.00 -1.03 -1.03 107.32 104.99 2c4m s GLY 111 Ca 0.19 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.42 2c4m s GLY 111 CO 0.17 -0.95 0.00 -2.01 0.00 0.00 0.00 173.10 170.32 2c4m n ASN 112 N -1.55 0.63 0.00 1.64 5.15 -1.26 -4.57 115.26 115.29 2c4m n ASN 112 Ca 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2c4m n ASN 112 Cb 0.61 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 2c4m n ASN 112 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2c4m n GLY 113 N 3.38 5.61 0.26 8.20 0.00 -1.26 -4.99 105.19 116.39 2c4m n GLY 113 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 45.04 2c4m n GLY 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2c4m h GLY 114 N 0.00 0.96 0.59 -0.02 0.00 -2.01 0.10 103.07 102.70 2c4m h GLY 114 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.38 2c4m h GLY 114 CO 0.00 -0.19 0.34 -2.00 0.00 0.00 0.00 176.54 174.69 2c4m h LEU 115 N 0.26 0.47 -0.23 3.11 5.85 -1.96 0.13 115.31 122.94 2c4m h LEU 115 Ca 0.40 0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.95 2c4m h LEU 115 Cb 0.66 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.66 2c4m h LEU 115 CO -0.50 0.29 -0.67 1.23 -0.34 0.00 0.00 178.44 178.46 2c4m h GLY 116 N 0.61 0.93 2.00 3.75 0.00 -1.39 -2.80 103.07 106.16 2c4m h GLY 116 Ca 0.31 -1.19 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 2c4m h GLY 116 CO -0.22 1.07 -0.30 -0.09 0.00 0.00 0.00 176.54 177.00 2c4m h ARG 117 N 0.61 0.00 -0.14 4.80 9.65 -0.39 -1.75 114.38 127.17 2c4m h ARG 117 Ca -0.02 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 2c4m h ARG 117 Cb 1.29 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2c4m h ARG 117 CO 0.14 0.30 -0.11 1.25 2.80 0.00 0.00 179.97 184.35 2c4m h LEU 118 N 0.00 0.33 -1.32 3.80 5.85 -0.68 -1.49 115.31 121.80 2c4m h LEU 118 Ca -0.00 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.32 2c4m h LEU 118 Cb 0.69 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2c4m h LEU 118 CO 0.04 0.72 0.50 0.00 -0.34 0.00 0.00 178.44 179.35 2c4m h ALA 119 N 0.63 1.65 -0.15 1.25 0.00 -1.22 0.36 119.26 121.78 2c4m h ALA 119 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2c4m h ALA 119 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2c4m h ALA 119 CO 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 179.25 179.46 2c4m h ALA 120 N 1.58 0.21 -0.92 0.00 0.00 -1.24 -2.21 119.26 116.68 2c4m h ALA 120 Ca 0.33 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2c4m h ALA 120 Cb 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2c4m h ALA 120 CO -0.11 -0.00 0.61 0.00 0.00 0.00 0.00 179.25 179.74 2c4m h PHE 122 N 1.22 0.85 -0.65 0.00 -1.00 -0.80 -0.08 116.94 116.48 2c4m h PHE 122 Ca 0.35 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 61.10 2c4m h PHE 122 Cb -0.10 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.16 2c4m h PHE 122 CO -0.01 0.47 0.23 -0.07 -1.61 0.00 0.00 178.31 177.32 2c4m h LEU 123 N 0.87 0.92 -0.50 1.54 3.38 -0.89 0.79 115.31 121.43 2c4m h LEU 123 Ca 0.30 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2c4m h LEU 123 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2c4m h LEU 123 CO -0.13 0.86 -0.01 -0.78 0.09 0.00 0.00 178.44 178.47 2c4m h ASP 124 N 0.93 0.87 -0.11 -0.43 1.82 -0.97 -2.51 116.42 116.01 2c4m h ASP 124 Ca 0.21 -0.31 -0.11 0.00 -0.39 0.00 0.00 57.03 56.43 2c4m h ASP 124 Cb 0.25 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2c4m h ASP 124 CO -0.01 0.97 -0.30 0.28 -1.61 0.00 0.00 179.24 178.57 2c4m h SER 125 N 0.75 0.60 -0.04 2.28 0.02 -0.78 -2.04 113.55 114.33 2c4m h SER 125 Ca 0.14 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2c4m h SER 125 Cb 0.53 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2c4m h SER 125 CO 0.03 0.87 0.02 0.00 -1.14 0.00 0.00 176.83 176.61 2c4m h ALA 126 N 1.17 0.05 -0.08 3.77 0.00 -0.70 -2.79 119.26 120.68 2c4m h ALA 126 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2c4m h ALA 126 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2c4m h ALA 126 CO 0.06 -0.43 -0.50 -0.24 0.00 0.00 0.00 179.25 178.15 2c4m h VAL 127 N 0.00 1.35 0.00 0.00 3.04 -1.41 0.45 116.25 119.68 2c4m h VAL 127 Ca 0.01 -1.72 -0.00 0.00 -1.01 0.00 0.00 66.70 63.98 2c4m h VAL 127 Cb 0.05 1.83 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2c4m h VAL 127 CO -0.00 0.51 -0.01 0.74 -1.01 0.00 0.00 177.57 177.80 2c4m h THR 128 N 0.17 0.07 -0.31 3.17 2.02 -1.24 -1.29 112.91 115.50 2c4m h THR 128 Ca 0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2c4m h THR 128 Cb 0.94 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2c4m h THR 128 CO 0.08 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.97 2c4m n GLN 129 N -3.17 2.64 -2.26 6.66 6.02 -0.99 -4.86 117.38 121.43 2c4m n GLN 129 Ca -0.02 -1.96 -0.19 0.00 -0.01 0.00 0.00 57.00 54.81 2c4m n GLN 129 Cb 0.12 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 2c4m n GLN 129 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2c4m n ASP 130 N 0.53 -5.48 -4.72 1.08 8.00 -0.49 -4.52 116.55 110.96 2c4m n ASP 130 Ca 0.11 0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 2c4m n ASP 130 Cb 0.41 -4.54 -0.04 0.00 -0.02 0.00 0.00 41.12 36.93 2c4m n ASP 130 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2c4m s TYR 131 N -2.92 3.63 -1.14 1.24 2.02 0.08 0.15 117.35 120.41 2c4m s TYR 131 Ca 0.00 1.47 -0.22 0.00 -0.37 0.00 0.00 57.07 57.95 2c4m s TYR 131 Cb 0.00 -2.94 -0.08 0.00 -0.40 0.00 0.00 41.96 38.53 2c4m s TYR 131 CO 0.00 0.07 1.91 -0.35 -1.57 0.00 0.00 175.55 175.61 2c4m n PRO 132 N 3.72 1.78 -4.58 -1.71 -0.04 -1.26 -4.49 135.00 128.42 2c4m n PRO 132 Ca 0.02 -2.47 -0.33 0.00 -0.04 0.00 0.00 63.50 60.68 2c4m n PRO 132 Cb 0.51 -3.58 -0.16 0.00 -0.04 0.00 0.00 33.50 30.23 2c4m n PRO 132 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2c4m s VAL 133 N 9.30 2.16 -0.08 0.52 1.01 -1.26 -1.34 120.40 130.72 2c4m s VAL 133 Ca 0.65 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2c4m s VAL 133 Cb 0.02 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2c4m s VAL 133 CO 0.13 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.71 2c4m s THR 134 N 0.88 2.78 0.07 3.92 2.01 -0.11 -4.48 115.64 120.71 2c4m s THR 134 Ca -0.05 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 2c4m s THR 134 Cb -0.15 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 2c4m s THR 134 CO -0.03 0.57 0.34 -0.83 -0.69 0.00 0.00 174.62 173.97 2c4m s GLY 135 N -0.25 2.27 -0.05 4.40 0.00 -0.72 -0.52 107.32 112.44 2c4m s GLY 135 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2c4m s GLY 135 CO 0.03 -0.37 -0.03 -0.19 0.00 0.00 0.00 173.10 172.54 2c4m s TYR 136 N -1.45 0.68 0.04 1.90 1.51 -0.21 -0.05 117.35 119.76 2c4m s TYR 136 Ca 0.34 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 2c4m s TYR 136 Cb -0.13 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 2c4m s TYR 136 CO 0.20 -0.23 0.07 0.41 -1.11 0.00 0.00 175.55 174.89 2c4m n GLY 137 N 4.38 2.35 3.88 0.71 0.00 -0.39 -2.27 105.19 113.85 2c4m n GLY 137 Ca -0.20 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2c4m n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c4m s LEU 138 N 0.00 4.38 -1.18 0.99 1.43 -1.26 -1.11 118.68 121.93 2c4m s LEU 138 Ca 0.02 0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 2c4m s LEU 138 Cb -0.00 -2.64 0.18 0.00 0.03 0.00 0.00 46.19 43.76 2c4m s LEU 138 CO 0.02 0.27 1.39 -0.22 0.23 0.00 0.00 176.35 178.03 2c4m s LEU 139 N -1.66 5.14 0.12 1.79 2.96 0.28 -4.69 118.68 122.62 2c4m s LEU 139 Ca 0.27 -2.98 -0.31 0.00 -0.22 0.00 0.00 54.13 50.88 2c4m s LEU 139 Cb -0.13 -2.39 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 2c4m s LEU 139 CO 0.15 -0.73 1.56 -0.31 -1.32 0.00 0.00 176.35 175.69 2c4m s TYR 140 N 1.44 2.87 0.05 5.38 2.02 -1.26 -4.80 117.35 123.06 2c4m s TYR 140 Ca 0.41 0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 57.59 2c4m s TYR 140 Cb -0.03 -3.89 -0.31 0.00 -0.40 0.00 0.00 41.96 37.33 2c4m s TYR 140 CO -0.01 -3.35 1.07 -0.09 -1.57 0.00 0.00 175.55 171.61 2c4m h ARG 141 N 7.35 0.46 -0.02 -0.62 2.43 -0.19 -3.38 114.38 120.41 2c4m h ARG 141 Ca -0.42 -0.74 -0.00 0.00 -0.81 0.00 0.00 59.98 58.00 2c4m h ARG 141 Cb 1.20 0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 31.02 2c4m h ARG 141 CO 0.91 1.35 -0.18 1.19 -1.51 0.00 0.00 179.97 181.73 2c4m n PHE 142 N -3.66 0.05 -3.35 2.20 3.72 0.47 -4.02 117.46 112.87 2c4m n PHE 142 Ca -0.13 -1.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.08 2c4m n PHE 142 Cb 1.05 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 2c4m n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2c4m n GLY 143 N -1.29 0.93 0.00 1.37 0.00 -1.21 -1.95 105.19 103.04 2c4m n GLY 143 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2c4m n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2c4m n LEU 144 N 0.00 0.59 -3.54 0.99 7.94 -1.26 0.76 117.00 122.48 2c4m n LEU 144 Ca 0.00 0.44 -0.09 0.00 -1.11 0.00 0.00 56.01 55.25 2c4m n LEU 144 Cb 0.00 -0.39 -0.03 0.00 0.53 0.00 0.00 43.42 43.53 2c4m n LEU 144 CO 0.00 -0.39 0.75 0.72 -1.11 0.00 0.00 177.39 177.36 2c4m s PHE 145 N -0.97 -0.34 0.01 1.96 -0.12 -1.26 -4.64 117.98 112.62 2c4m s PHE 145 Ca 0.00 0.38 -0.23 0.00 -0.05 0.00 0.00 56.93 57.03 2c4m s PHE 145 Cb 0.00 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 2c4m s PHE 145 CO 0.00 -0.43 0.69 0.50 -0.05 0.00 0.00 175.22 175.93 2c4m s ARG 146 N -2.24 4.42 -0.19 1.99 3.52 0.35 -4.82 118.95 121.98 2c4m s ARG 146 Ca 0.03 0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 56.42 2c4m s ARG 146 Cb -0.01 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2c4m s ARG 146 CO -0.04 0.29 0.19 -1.14 -0.81 0.00 0.00 175.30 173.79 2c4m s GLN 147 N -0.02 4.20 0.44 5.12 0.74 -1.26 -2.06 119.66 126.83 2c4m s GLN 147 Ca 0.35 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.67 2c4m s GLN 147 Cb -0.19 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 2c4m s GLN 147 CO 0.20 0.26 0.11 -1.13 -0.55 0.00 0.00 175.29 174.18 2c4m n SER 148 N 3.61 1.78 -4.01 6.67 3.41 -0.91 -3.77 113.62 120.40 2c4m n SER 148 Ca -0.14 -3.22 -0.21 0.00 -0.26 0.00 0.00 58.87 55.04 2c4m n SER 148 Cb 0.52 0.88 -0.16 0.00 -0.26 0.00 0.00 64.21 65.19 2c4m n SER 148 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2c4m s PHE 149 N -3.04 1.02 -0.24 7.33 0.08 -1.26 -1.17 117.98 120.70 2c4m s PHE 149 Ca 0.16 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2c4m s PHE 149 Cb 0.01 -0.73 0.07 0.00 -0.57 0.00 0.00 43.02 41.79 2c4m s PHE 149 CO 0.11 -0.12 -0.01 1.21 -0.10 0.00 0.00 175.22 176.31 2c4m s ASN 150 N 0.24 3.74 -1.46 1.36 3.04 -0.39 -4.75 114.94 116.73 2c4m s ASN 150 Ca -0.04 -1.21 -0.08 0.00 0.04 0.00 0.00 52.86 51.57 2c4m s ASN 150 Cb -0.09 -1.06 0.02 0.00 -1.54 0.00 0.00 41.25 38.57 2c4m s ASN 150 CO 0.01 -0.28 0.92 -0.62 -3.04 0.00 0.00 177.10 174.09 2c4m n GLU 151 N 4.74 -6.41 0.00 0.43 -0.58 -1.26 -2.00 120.64 115.55 2c4m n GLU 151 Ca -0.09 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 2c4m n GLU 151 Cb 0.44 -5.79 0.00 0.00 -0.57 0.00 0.00 31.44 25.52 2c4m n GLU 151 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2c4m n GLY 152 N -1.77 2.54 3.85 0.62 0.00 -1.26 -5.00 105.19 104.18 2c4m n GLY 152 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2c4m n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c4m s PHE 153 N -2.27 3.60 0.20 1.61 0.40 -0.85 -4.11 117.98 116.56 2c4m s PHE 153 Ca 0.00 0.92 -0.30 0.00 -0.60 0.00 0.00 56.93 56.95 2c4m s PHE 153 Cb 0.00 -2.26 -0.08 0.00 0.51 0.00 0.00 43.02 41.18 2c4m s PHE 153 CO 0.00 0.48 1.21 -1.14 0.70 0.00 0.00 175.22 176.47 2c4m s GLN 154 N -1.90 4.48 -0.07 0.44 0.74 -1.26 -1.27 119.66 120.82 2c4m s GLN 154 Ca 0.35 1.91 0.05 0.00 0.05 0.00 0.00 55.36 57.72 2c4m s GLN 154 Cb -0.15 -3.23 -0.00 0.00 1.10 0.00 0.00 33.01 30.74 2c4m s GLN 154 CO 0.18 -0.10 -0.22 0.08 -0.55 0.00 0.00 175.29 174.68 2c4m s VAL 155 N -0.12 1.86 -0.14 1.34 1.01 -0.32 -4.89 120.40 119.15 2c4m s VAL 155 Ca 0.53 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2c4m s VAL 155 Cb -0.33 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2c4m s VAL 155 CO 0.38 0.52 0.04 -1.61 0.00 0.00 0.00 175.10 174.43 2c4m s GLU 156 N 0.11 3.56 0.17 2.72 8.01 -1.26 -2.15 118.70 129.86 2c4m s GLU 156 Ca -0.10 -0.35 -0.01 0.00 0.01 0.00 0.00 54.97 54.52 2c4m s GLU 156 Cb -0.15 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.58 2c4m s GLU 156 CO 0.05 0.48 0.08 0.15 0.01 0.00 0.00 175.26 176.03 2c4m s LYS 157 N -0.23 1.08 0.76 1.61 1.02 -0.87 -4.95 119.74 118.16 2c4m s LYS 157 Ca 0.07 -1.54 -0.15 0.00 0.02 0.00 0.00 55.97 54.37 2c4m s LYS 157 Cb -0.12 0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.39 2c4m s LYS 157 CO 0.02 -0.30 0.97 -2.30 -0.92 0.00 0.00 175.35 172.81 2c4m n PRO 158 N -0.20 0.34 -3.44 -1.68 -0.02 -1.26 0.13 135.00 128.88 2c4m n PRO 158 Ca -0.02 0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 61.37 2c4m n PRO 158 Cb 0.65 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 2c4m n PRO 158 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2c4m n ASP 159 N -2.03 2.96 -4.75 2.55 2.03 -0.82 -3.87 116.55 112.62 2c4m n ASP 159 Ca 0.13 -3.26 -0.35 0.00 0.52 0.00 0.00 54.79 51.82 2c4m n ASP 159 Cb 0.50 -0.67 0.05 0.00 -0.72 0.00 0.00 41.12 40.28 2c4m n ASP 159 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c4m s PRO 160 N -2.08 2.77 0.00 -0.67 0.04 -1.26 -3.77 135.00 130.02 2c4m s PRO 160 Ca 0.37 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2c4m s PRO 160 Cb 0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2c4m s PRO 160 CO -0.05 -1.34 0.00 -2.67 0.04 0.00 0.00 177.00 172.98 2c4m n TRP 161 N -1.97 0.00 -1.82 0.56 4.27 -1.26 -4.92 117.44 112.30 2c4m n TRP 161 Ca 0.13 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.77 2c4m n TRP 161 Cb 0.50 0.00 0.16 0.00 -1.36 0.00 0.00 31.31 30.61 2c4m n TRP 161 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29 2c4m n ARG 162 N -0.09 1.53 0.19 -2.67 1.85 -1.26 -4.67 116.66 111.53 2c4m n ARG 162 Ca 0.00 -3.18 0.06 0.00 -1.00 0.00 0.00 57.85 53.73 2c4m n ARG 162 Cb 0.00 -1.42 0.30 0.00 -1.05 0.00 0.00 32.46 30.29 2c4m n ARG 162 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2c4m h GLU 163 N 1.15 0.00 -6.22 2.89 4.39 -1.92 -3.44 114.58 111.44 2c4m h GLU 163 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.22 2c4m h GLU 163 Cb 1.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2c4m h GLU 163 CO 0.10 0.35 -0.44 -1.21 -1.16 0.00 0.00 179.01 176.65 2c4m s GLU 164 N -3.46 3.13 0.10 2.33 0.41 -1.26 -5.02 118.70 114.93 2c4m s GLU 164 Ca 0.01 -0.97 -0.35 0.00 -0.41 0.00 0.00 54.97 53.25 2c4m s GLU 164 Cb 0.10 -2.72 -0.17 0.00 -1.78 0.00 0.00 34.13 29.55 2c4m s GLU 164 CO 0.68 0.30 1.12 0.39 -0.49 0.00 0.00 175.26 177.27 2c4m n GLU 165 N -1.38 0.72 -3.72 1.61 -0.58 -1.26 -4.94 120.64 111.09 2c4m n GLU 165 Ca -0.06 0.26 -0.30 0.00 -0.42 0.00 0.00 57.16 56.64 2c4m n GLU 165 Cb 0.58 -1.74 -0.15 0.00 -0.57 0.00 0.00 31.44 29.56 2c4m n GLU 165 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2c4m s TYR 166 N -0.04 1.64 -0.49 -0.32 5.04 -1.26 -4.98 117.35 116.93 2c4m s TYR 166 Ca 0.80 -1.74 0.23 0.00 -2.44 0.00 0.00 57.07 53.92 2c4m s TYR 166 Cb -1.00 -1.67 0.97 0.00 0.35 0.00 0.00 41.96 40.61 2c4m s TYR 166 CO 0.52 -0.87 1.70 -2.30 -1.34 0.00 0.00 175.55 173.27 2c4m n PRO 167 N 4.76 0.19 -0.17 4.97 -0.02 -1.26 -2.52 135.00 140.94 2c4m n PRO 167 Ca -0.01 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 2c4m n PRO 167 Cb 0.41 -1.86 0.13 0.00 -0.02 0.00 0.00 33.50 32.16 2c4m n PRO 167 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2c4m n PHE 168 N -2.21 0.43 -3.84 6.00 3.72 -1.26 -4.53 117.46 115.76 2c4m n PHE 168 Ca 0.02 -0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 56.97 2c4m n PHE 168 Cb 0.22 -0.04 -0.17 0.00 -0.94 0.00 0.00 39.48 38.55 2c4m n PHE 168 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2c4m s THR 169 N -1.63 0.74 -0.20 4.37 -4.23 -1.05 -4.00 115.64 109.64 2c4m s THR 169 Ca 0.19 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.47 2c4m s THR 169 Cb 0.11 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 2c4m s THR 169 CO 0.12 0.27 0.02 -0.63 -0.54 0.00 0.00 174.62 173.85 2c4m s ILE 170 N 1.82 4.15 0.21 2.99 1.01 0.67 -4.84 121.20 127.21 2c4m s ILE 170 Ca 0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2c4m s ILE 170 Cb -0.13 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 2c4m s ILE 170 CO -0.07 0.43 1.11 -0.60 0.00 0.00 0.00 174.94 175.81 2c4m s ARG 171 N 0.88 4.59 -0.47 2.79 3.52 -1.26 -0.11 118.95 128.89 2c4m s ARG 171 Ca 0.02 1.76 0.08 0.00 -0.13 0.00 0.00 55.73 57.46 2c4m s ARG 171 Cb -0.14 -3.25 0.37 0.00 -1.56 0.00 0.00 34.95 30.37 2c4m s ARG 171 CO 0.02 0.09 0.92 0.54 -0.81 0.00 0.00 175.30 176.06 2c4m n ARG 172 N 2.06 2.43 -0.13 5.12 5.12 -0.40 -4.93 116.66 125.93 2c4m n ARG 172 Ca 0.02 -4.21 0.15 0.00 -1.93 0.00 0.00 57.85 51.88 2c4m n ARG 172 Cb 0.46 -1.98 0.53 0.00 -1.16 0.00 0.00 32.46 30.30 2c4m n ARG 172 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2c4m h ALA 173 N 2.91 2.14 0.00 7.54 0.00 -1.95 0.40 119.26 130.31 2c4m h ALA 173 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2c4m h ALA 173 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2c4m h ALA 173 CO 0.70 -0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.29 2c4m h SER 174 N 0.37 0.00 -0.59 0.00 4.64 -1.97 -1.26 113.55 114.74 2c4m h SER 174 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2c4m h SER 174 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2c4m h SER 174 CO -0.10 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.33 2c4m n ASP 175 N -2.55 4.19 -4.73 4.97 8.00 0.14 -5.00 116.55 121.57 2c4m n ASP 175 Ca -0.00 -2.34 -0.34 0.00 0.71 0.00 0.00 54.79 52.82 2c4m n ASP 175 Cb 0.16 -0.53 0.09 0.00 -0.02 0.00 0.00 41.12 40.81 2c4m n ASP 175 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c4m s GLN 176 N -1.73 2.23 0.46 -1.24 -2.07 -0.48 -4.75 119.66 112.08 2c4m s GLN 176 Ca 0.45 1.66 0.03 0.00 -1.82 0.00 0.00 55.36 55.68 2c4m s GLN 176 Cb 0.28 -1.85 -0.02 0.00 -1.09 0.00 0.00 33.01 30.33 2c4m s GLN 176 CO 0.23 -1.74 0.07 -0.51 -1.32 0.00 0.00 175.29 172.02 2c4m s LEU 177 N -5.16 2.13 -0.07 2.60 1.43 -0.19 -4.93 118.68 114.49 2c4m s LEU 177 Ca 0.72 -1.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2c4m s LEU 177 Cb -0.27 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 2c4m s LEU 177 CO 0.45 -0.90 -0.19 -0.69 0.23 0.00 0.00 176.35 175.25 2c4m s VAL 178 N -3.06 2.57 -0.27 -1.59 1.01 -1.26 -0.02 120.40 117.79 2c4m s VAL 178 Ca 0.16 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2c4m s VAL 178 Cb 0.02 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.48 2c4m s VAL 178 CO 0.09 0.57 -0.04 -0.69 0.00 0.00 0.00 175.10 175.03 2c4m s VAL 179 N -0.27 1.85 -0.28 2.92 1.01 -0.45 -4.91 120.40 120.26 2c4m s VAL 179 Ca 0.01 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.30 2c4m s VAL 179 Cb -0.13 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2c4m s VAL 179 CO 0.03 -0.20 0.16 0.00 0.00 0.00 0.00 175.10 175.08 2c4m s PHE 181 N 1.69 3.56 0.67 0.00 0.08 0.10 -4.96 117.98 119.11 2c4m s PHE 181 Ca 0.06 0.94 0.42 0.00 0.12 0.00 0.00 56.93 58.48 2c4m s PHE 181 Cb -0.16 -2.40 2.30 0.00 -0.57 0.00 0.00 43.02 42.19 2c4m s PHE 181 CO 0.08 -0.32 2.30 -0.44 -0.10 0.00 0.00 175.22 176.74 2c4m h ASP 182 N 0.32 0.00 0.00 1.36 5.19 -0.81 -2.69 116.42 119.79 2c4m h ASP 182 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2c4m h ASP 182 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2c4m h ASP 182 CO 0.62 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.84 2c4m n ASP 183 N -3.07 1.53 -3.43 6.45 5.75 -1.26 -5.01 116.55 117.50 2c4m n ASP 183 Ca -0.03 -1.67 0.01 0.00 -0.01 0.00 0.00 54.79 53.10 2c4m n ASP 183 Cb 0.12 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 2c4m n ASP 183 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2c4m s MET 184 N -0.67 0.48 -0.31 0.11 0.00 -1.02 -5.12 119.30 112.78 2c4m s MET 184 Ca 0.00 1.09 -0.17 0.00 0.00 0.00 0.00 55.69 56.61 2c4m s MET 184 Cb 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 34.83 35.46 2c4m s MET 184 CO 0.00 -0.28 0.46 0.21 0.00 0.00 0.00 175.02 175.41 2c4m s LYS 185 N 2.79 3.80 0.18 4.11 2.20 -1.26 0.02 119.74 131.58 2c4m s LYS 185 Ca 0.02 -0.05 0.10 0.00 -0.36 0.00 0.00 55.97 55.68 2c4m s LYS 185 Cb -0.11 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2c4m s LYS 185 CO -0.18 -0.47 -0.18 0.95 -0.36 0.00 0.00 175.35 175.10 2c4m s THR 186 N 2.24 2.73 -0.06 3.43 -4.23 -0.58 -3.65 115.64 115.52 2c4m s THR 186 Ca 0.17 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 2c4m s THR 186 Cb -0.16 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 2c4m s THR 186 CO 0.11 -0.09 0.33 -0.13 -0.54 0.00 0.00 174.62 174.30 2c4m s ARG 187 N -2.68 3.88 -0.23 3.99 0.52 -0.01 -1.33 118.95 123.09 2c4m s ARG 187 Ca 0.22 0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.68 2c4m s ARG 187 Cb -0.08 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.16 2c4m s ARG 187 CO 0.12 0.62 -0.12 0.00 0.02 0.00 0.00 175.30 175.93 2c4m s ALA 188 N -0.75 2.54 -0.29 2.13 0.00 0.98 -1.69 121.76 124.67 2c4m s ALA 188 Ca 0.21 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 2c4m s ALA 188 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2c4m s ALA 188 CO 0.10 -0.75 0.24 0.42 0.00 0.00 0.00 175.76 175.77 2c4m s ILE 189 N 1.25 5.27 0.28 0.00 -1.09 -0.52 -1.02 121.20 125.38 2c4m s ILE 189 Ca -0.01 0.18 -0.27 0.00 -2.23 0.00 0.00 60.65 58.32 2c4m s ILE 189 Cb -0.16 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 37.02 2c4m s ILE 189 CO -0.08 0.17 0.92 -2.16 -1.23 0.00 0.00 174.94 172.57 2c4m s PRO 190 N 1.83 4.66 0.04 2.79 0.05 -1.26 -1.52 135.00 141.59 2c4m s PRO 190 Ca 0.09 1.35 0.08 0.00 0.05 0.00 0.00 61.00 62.57 2c4m s PRO 190 Cb -0.16 -3.00 -0.03 0.00 0.05 0.00 0.00 34.50 31.36 2c4m s PRO 190 CO 0.11 0.39 -0.24 0.71 0.05 0.00 0.00 177.00 178.02 2c4m s TYR 191 N -1.43 2.13 -0.19 0.56 1.51 0.10 -1.27 117.35 118.76 2c4m s TYR 191 Ca 0.46 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2c4m s TYR 191 Cb -0.21 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 2c4m s TYR 191 CO 0.27 0.09 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.23 2c4m s ASP 192 N -1.13 4.30 -0.16 2.29 1.01 0.84 -1.40 116.67 122.42 2c4m s ASP 192 Ca 0.10 -0.34 -0.01 0.00 0.71 0.00 0.00 52.55 53.01 2c4m s ASP 192 Cb -0.09 -1.72 -0.01 0.00 1.01 0.00 0.00 42.92 42.11 2c4m s ASP 192 CO 0.02 0.05 -0.11 -0.32 0.21 0.00 0.00 175.17 175.02 2c4m s MET 193 N 1.07 3.36 0.21 8.23 -2.45 -0.34 -0.24 119.30 129.14 2c4m s MET 193 Ca 0.01 -0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 53.48 2c4m s MET 193 Cb -0.15 -2.75 -0.08 0.00 1.25 0.00 0.00 34.83 33.10 2c4m s MET 193 CO -0.01 0.06 1.08 -1.25 1.05 0.00 0.00 175.02 175.95 2c4m s PRO 194 N 0.75 4.64 -0.39 4.11 0.04 -1.26 -1.05 135.00 141.85 2c4m s PRO 194 Ca -0.05 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 2c4m s PRO 194 Cb -0.15 -3.26 0.09 0.00 0.04 0.00 0.00 34.50 31.23 2c4m s PRO 194 CO 0.01 0.17 0.16 0.42 0.04 0.00 0.00 177.00 177.81 2c4m s ILE 195 N -0.60 3.31 0.71 0.56 -1.09 0.87 -4.91 121.20 120.04 2c4m s ILE 195 Ca 0.47 -1.85 -0.11 0.00 -2.23 0.00 0.00 60.65 56.92 2c4m s ILE 195 Cb -0.29 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2c4m s ILE 195 CO 0.36 -0.55 1.09 0.42 -1.23 0.00 0.00 174.94 175.03 2c4m s THR 196 N 1.19 3.57 -0.05 2.92 -4.23 -1.26 -0.56 115.64 117.21 2c4m s THR 196 Ca 0.05 0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 61.05 2c4m s THR 196 Cb -0.22 -3.47 0.03 0.00 1.34 0.00 0.00 72.50 70.18 2c4m s THR 196 CO -0.03 -0.66 0.05 -0.83 -0.54 0.00 0.00 174.62 172.60 2c4m s GLY 197 N -4.28 0.28 -0.36 3.99 0.00 -1.25 -4.84 107.32 100.87 2c4m s GLY 197 Ca 0.58 0.10 -0.44 0.00 0.00 0.00 0.00 44.72 44.96 2c4m s GLY 197 CO 0.52 1.35 1.53 2.98 0.00 0.00 0.00 173.10 179.48 2c4m n TYR 198 N 5.26 1.63 -0.99 1.90 4.19 -1.23 -2.13 117.16 125.78 2c4m n TYR 198 Ca -0.04 1.00 0.00 0.00 3.31 0.00 0.00 57.90 62.17 2c4m n TYR 198 Cb 0.50 -2.25 0.00 0.00 0.49 0.00 0.00 39.34 38.07 2c4m n TYR 198 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2c4m n GLY 199 N 3.58 0.66 3.13 2.98 0.00 -1.25 -4.86 105.19 109.42 2c4m n GLY 199 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 2c4m n GLY 199 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c4m s THR 200 N -2.69 0.29 -0.92 2.61 -1.32 -0.91 -5.02 115.64 107.68 2c4m s THR 200 Ca 0.00 -1.87 0.23 0.00 -1.21 0.00 0.00 61.69 58.84 2c4m s THR 200 Cb 0.00 -1.72 -0.10 0.00 -1.51 0.00 0.00 72.50 69.17 2c4m s THR 200 CO 0.00 -0.81 1.16 1.41 -2.21 0.00 0.00 174.62 174.17 2c4m n HIS 201 N 0.01 0.05 -1.80 9.09 8.25 -1.26 -4.60 115.22 124.96 2c4m n HIS 201 Ca -0.11 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 2c4m n HIS 201 Cb 0.62 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 2c4m n HIS 201 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2c4m s ASN 202 N -3.19 6.38 -0.18 0.41 -0.87 -1.26 -4.69 114.94 111.55 2c4m s ASN 202 Ca 0.08 2.97 0.00 0.00 -1.57 0.00 0.00 52.86 54.35 2c4m s ASN 202 Cb 0.16 -2.65 0.04 0.00 -0.02 0.00 0.00 41.25 38.79 2c4m s ASN 202 CO 0.78 -0.88 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.64 2c4m s VAL 203 N -0.42 1.52 0.98 1.60 1.01 -1.26 -3.92 120.40 119.91 2c4m s VAL 203 Ca 0.59 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 2c4m s VAL 203 Cb -0.47 -1.59 0.21 0.00 0.00 0.00 0.00 36.38 34.54 2c4m s VAL 203 CO 0.53 0.21 1.33 -0.83 0.00 0.00 0.00 175.10 176.34 2c4m s GLY 204 N 1.46 1.79 -0.00 4.51 0.00 0.27 -4.76 107.32 110.60 2c4m s GLY 204 Ca 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.52 2c4m s GLY 204 CO -0.09 -0.44 -0.12 -1.59 0.00 0.00 0.00 173.10 170.86 2c4m s THR 205 N -3.89 0.96 -0.29 0.90 2.01 -1.26 -0.09 115.64 113.98 2c4m s THR 205 Ca 0.75 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2c4m s THR 205 Cb -0.03 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.72 2c4m s THR 205 CO 0.53 0.24 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.44 2c4m s LEU 206 N -0.38 3.76 -0.23 4.42 2.96 -0.21 -1.75 118.68 127.25 2c4m s LEU 206 Ca 0.04 -1.39 -0.22 0.00 -0.22 0.00 0.00 54.13 52.35 2c4m s LEU 206 Cb -0.05 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2c4m s LEU 206 CO -0.00 -0.24 0.68 -0.60 -1.32 0.00 0.00 176.35 174.86 2c4m s ARG 207 N 1.17 4.17 -0.07 1.98 6.06 0.92 -1.20 118.95 131.98 2c4m s ARG 207 Ca -0.06 0.67 0.05 0.00 -2.50 0.00 0.00 55.73 53.89 2c4m s ARG 207 Cb -0.20 -3.62 -0.01 0.00 0.06 0.00 0.00 34.95 31.18 2c4m s ARG 207 CO -0.03 -0.36 -0.22 -0.51 -2.50 0.00 0.00 175.30 171.67 2c4m s LEU 208 N 2.33 2.23 -0.14 -0.88 1.43 -0.49 -1.26 118.68 121.90 2c4m s LEU 208 Ca 0.29 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 2c4m s LEU 208 Cb -0.16 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2c4m s LEU 208 CO 0.09 0.24 0.05 0.26 0.23 0.00 0.00 176.35 177.22 2c4m s TRP 209 N -0.12 3.27 -0.17 0.29 0.52 -0.26 0.03 118.94 122.51 2c4m s TRP 209 Ca -0.04 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.25 2c4m s TRP 209 Cb -0.14 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 2c4m s TRP 209 CO 0.04 0.36 -0.15 0.21 0.02 0.00 0.00 176.95 177.43 2c4m s LYS 210 N -0.32 3.20 0.04 4.98 2.20 -0.57 -0.56 119.74 128.71 2c4m s LYS 210 Ca 0.08 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 2c4m s LYS 210 Cb -0.12 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 2c4m s LYS 210 CO 0.02 -0.05 0.92 0.00 -0.36 0.00 0.00 175.35 175.88 2c4m s ALA 211 N 0.97 3.23 0.06 3.13 0.00 -1.26 -1.43 121.76 126.47 2c4m s ALA 211 Ca -0.02 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.48 2c4m s ALA 211 Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2c4m s ALA 211 CO -0.03 -0.10 -0.15 -1.21 0.00 0.00 0.00 175.76 174.27 2c4m s GLU 212 N 0.47 0.90 0.74 0.00 2.02 -0.68 -4.63 118.70 117.52 2c4m s GLU 212 Ca 0.47 -0.92 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 2c4m s GLU 212 Cb -0.22 -0.94 0.05 0.00 0.10 0.00 0.00 34.13 33.12 2c4m s GLU 212 CO 0.27 0.22 1.15 -1.25 0.02 0.00 0.00 175.26 175.67 2c4m s PRO 213 N -1.56 2.19 0.12 0.39 0.04 -1.26 -0.82 135.00 134.10 2c4m s PRO 213 Ca 0.00 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 2c4m s PRO 213 Cb -0.09 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2c4m s PRO 213 CO 0.02 -1.75 1.63 2.35 0.04 0.00 0.00 177.00 179.29 2c4m h TRP 214 N -0.56 0.64 -4.06 0.56 2.91 -1.93 -3.42 115.95 110.09 2c4m h TRP 214 Ca -0.46 -0.07 -0.69 0.00 1.13 0.00 0.00 58.89 58.80 2c4m h TRP 214 Cb 1.27 -0.18 -0.24 0.00 -0.51 0.00 0.00 29.16 29.50 2c4m h TRP 214 CO 0.51 0.62 -0.78 -1.21 -1.03 0.00 0.00 178.44 176.56 2c4m s GLU 215 N -5.33 2.49 0.27 2.65 0.41 -1.26 -5.03 118.70 112.90 2c4m s GLU 215 Ca -0.13 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 2c4m s GLU 215 Cb 0.10 -2.36 0.58 0.00 -1.78 0.00 0.00 34.13 30.67 2c4m s GLU 215 CO 0.76 0.62 1.76 0.93 -0.49 0.00 0.00 175.26 178.84 2c4m h GLU 216 N 5.36 0.61 -2.24 1.61 4.39 -2.00 -3.45 114.58 118.86 2c4m h GLU 216 Ca -0.46 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.39 2c4m h GLU 216 Cb 1.15 -0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.57 2c4m h GLU 216 CO 0.50 0.40 0.52 -0.59 -1.16 0.00 0.00 179.01 178.69 2c4m s PHE 217 N -5.95 -0.15 -0.85 4.33 -0.12 -1.26 -4.73 117.98 109.26 2c4m s PHE 217 Ca -0.12 -0.12 -0.25 0.00 -0.05 0.00 0.00 56.93 56.39 2c4m s PHE 217 Cb 0.23 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 43.27 2c4m s PHE 217 CO 0.78 -0.74 1.38 0.34 -0.05 0.00 0.00 175.22 176.93 2c4m s ASP 218 N -2.89 6.24 0.25 1.98 -1.08 -0.43 -4.89 116.67 115.86 2c4m s ASP 218 Ca 0.12 -0.81 -0.03 0.00 -0.52 0.00 0.00 52.55 51.30 2c4m s ASP 218 Cb -0.01 -2.56 0.30 0.00 -1.46 0.00 0.00 42.92 39.19 2c4m s ASP 218 CO 0.00 -1.75 1.77 0.22 0.52 0.00 0.00 175.17 175.94 2c4m h TYR 219 N 10.12 0.95 -0.54 -5.34 5.03 -1.99 -0.94 116.97 124.26 2c4m h TYR 219 Ca -0.09 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.11 2c4m h TYR 219 Cb 1.04 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 39.02 2c4m h TYR 219 CO 1.19 0.81 0.32 -0.44 -1.32 0.00 0.00 178.16 178.72 2c4m h ASP 220 N 0.86 0.65 -0.26 -2.11 3.32 -1.98 0.22 116.42 117.11 2c4m h ASP 220 Ca 0.18 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2c4m h ASP 220 Cb 0.37 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2c4m h ASP 220 CO 0.01 0.52 0.12 0.00 -1.72 0.00 0.00 179.24 178.17 2c4m h ALA 221 N 1.15 0.34 -0.46 3.45 0.00 -1.82 -0.98 119.26 120.94 2c4m h ALA 221 Ca 0.19 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2c4m h ALA 221 Cb -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 2c4m h ALA 221 CO -0.03 -0.09 0.10 0.35 0.00 0.00 0.00 179.25 179.58 2c4m h PHE 222 N 0.29 0.17 0.00 0.00 3.57 -0.91 -0.92 116.94 119.14 2c4m h PHE 222 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2c4m h PHE 222 Cb 0.14 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2c4m h PHE 222 CO -0.02 0.02 -0.17 -0.97 -2.23 0.00 0.00 178.31 174.94 2c4m h ASN 223 N 0.24 0.00 0.14 0.41 -1.24 -0.38 0.68 115.58 115.43 2c4m h ASN 223 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2c4m h ASN 223 Cb 0.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.33 2c4m h ASN 223 CO -0.28 0.17 -0.01 0.00 -1.29 0.00 0.00 177.43 176.02 2c4m n ALA 224 N -2.35 2.64 -1.85 1.57 0.00 -0.39 -4.88 120.51 115.25 2c4m n ALA 224 Ca -0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 2c4m n ALA 224 Cb 0.27 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 2c4m n ALA 224 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2c4m n GLN 225 N -1.00 -1.09 -2.69 0.00 6.02 0.24 -4.92 117.38 113.94 2c4m n GLN 225 Ca 0.21 0.86 -0.43 0.00 -0.01 0.00 0.00 57.00 57.62 2c4m n GLN 225 Cb 0.16 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.35 2c4m n GLN 225 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2c4m n ARG 226 N -2.49 3.38 -0.32 -1.09 1.74 -0.43 -4.90 116.66 112.54 2c4m n ARG 226 Ca -0.16 -3.63 0.01 0.00 -0.77 0.00 0.00 57.85 53.31 2c4m n ARG 226 Cb 0.55 -3.09 0.19 0.00 -1.02 0.00 0.00 32.46 29.09 2c4m n ARG 226 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2c4m h PHE 227 N 6.81 1.13 -0.07 -1.55 0.04 -1.86 -1.59 116.94 119.84 2c4m h PHE 227 Ca 0.37 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 61.07 2c4m h PHE 227 Cb 0.80 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2c4m h PHE 227 CO 1.20 0.65 -0.35 1.15 -0.60 0.00 0.00 178.31 180.37 2c4m h THR 228 N 1.17 1.42 -0.86 -1.55 2.02 -1.96 -3.09 112.91 110.06 2c4m h THR 228 Ca 0.37 -1.74 0.18 0.00 0.77 0.00 0.00 66.41 65.99 2c4m h THR 228 Cb 0.01 2.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 2c4m h THR 228 CO -0.11 0.50 0.57 0.44 0.37 0.00 0.00 175.52 177.29 2c4m h ASP 229 N -0.11 0.40 0.15 4.18 5.19 -1.88 -1.26 116.42 123.09 2c4m h ASP 229 Ca -0.02 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 2c4m h ASP 229 Cb 1.00 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 2c4m h ASP 229 CO 0.07 0.18 -0.16 0.00 -3.12 0.00 0.00 179.24 176.21 2c4m h ALA 230 N 1.62 1.72 -0.29 3.45 0.00 -1.21 -3.13 119.26 121.42 2c4m h ALA 230 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2c4m h ALA 230 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2c4m h ALA 230 CO -0.16 0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.74 2c4m n ILE 231 N -4.34 1.19 0.04 0.00 -6.64 -0.50 -1.31 119.36 107.81 2c4m n ILE 231 Ca -0.02 -1.14 -0.13 0.00 -1.77 0.00 0.00 62.75 59.69 2c4m n ILE 231 Cb 0.23 0.38 -0.08 0.00 -1.44 0.00 0.00 39.64 38.73 2c4m n ILE 231 CO 0.00 0.00 0.00 0.40 -1.77 0.00 0.00 176.55 175.18 2c4m h ILE 232 N 1.76 1.11 -0.95 7.28 2.04 -1.44 -0.67 117.51 126.63 2c4m h ILE 232 Ca 0.00 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.31 2c4m h ILE 232 Cb 0.81 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 2c4m h ILE 232 CO 0.03 0.14 0.63 -0.33 0.00 0.00 0.00 178.15 178.62 2c4m h GLU 233 N -0.33 1.23 -0.56 2.37 4.39 -1.85 -0.08 114.58 119.75 2c4m h GLU 233 Ca -0.01 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2c4m h GLU 233 Cb 0.29 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2c4m h GLU 233 CO 0.01 0.81 0.30 -0.09 -1.16 0.00 0.00 179.01 178.89 2c4m h ARG 234 N 1.27 0.57 0.00 2.33 2.43 -1.77 -1.97 114.38 117.23 2c4m h ARG 234 Ca 0.36 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2c4m h ARG 234 Cb -0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2c4m h ARG 234 CO -0.09 0.38 -0.37 0.93 -1.51 0.00 0.00 179.97 179.30 2c4m h GLU 235 N 0.59 0.00 -0.14 0.20 4.39 -0.74 -1.59 114.58 117.30 2c4m h GLU 235 Ca 0.24 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 2c4m h GLU 235 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2c4m h GLU 235 CO -0.15 0.37 -0.34 0.00 -1.16 0.00 0.00 179.01 177.73 2c4m h ARG 236 N 0.00 0.28 -0.00 2.33 3.08 -0.60 0.62 114.38 120.08 2c4m h ARG 236 Ca -0.00 -0.11 -0.25 0.00 0.07 0.00 0.00 59.98 59.68 2c4m h ARG 236 Cb 1.12 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.17 2c4m h ARG 236 CO 0.05 0.59 -1.00 0.28 -1.07 0.00 0.00 179.97 178.82 2c4m h VAL 237 N 0.24 1.32 0.00 2.04 2.07 -1.20 -3.17 116.25 117.55 2c4m h VAL 237 Ca 0.03 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 65.21 2c4m h VAL 237 Cb 0.72 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2c4m h VAL 237 CO 0.05 0.71 -0.13 0.28 0.02 0.00 0.00 177.57 178.50 2c4m h SER 238 N 0.34 0.00 0.20 0.57 0.02 -0.99 -1.65 113.55 112.04 2c4m h SER 238 Ca -0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2c4m h SER 238 Cb 1.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.18 2c4m h SER 238 CO 0.19 0.13 -0.05 0.44 -1.14 0.00 0.00 176.83 176.40 2c4m h ASP 239 N 0.00 0.00 -0.70 3.07 3.32 -0.85 -1.93 116.42 119.33 2c4m h ASP 239 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2c4m h ASP 239 Cb 0.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2c4m h ASP 239 CO 0.02 0.05 0.43 0.40 -1.72 0.00 0.00 179.24 178.41 2c4m h ILE 240 N 0.00 1.20 -0.33 0.35 2.04 -1.42 -3.08 117.51 116.26 2c4m h ILE 240 Ca -0.00 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2c4m h ILE 240 Cb 0.16 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2c4m h ILE 240 CO 0.01 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2c4m h ARG 242 N 1.95 -0.57 -5.02 0.00 2.43 -1.26 0.40 114.38 112.31 2c4m h ARG 242 Ca 0.00 0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 58.89 2c4m h ARG 242 Cb 0.75 0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.28 2c4m h ARG 242 CO 0.01 -0.38 -0.71 0.14 -1.51 0.00 0.00 179.97 177.52 2c4m s VAL 243 N -3.74 1.11 0.08 0.20 -7.23 -1.26 -0.40 120.40 109.15 2c4m s VAL 243 Ca -0.09 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 57.80 2c4m s VAL 243 Cb 0.01 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.04 2c4m s VAL 243 CO 0.26 -0.75 0.71 -0.22 -0.31 0.00 0.00 175.10 174.78 2c4m s LEU 244 N -3.16 4.50 -1.17 1.32 2.96 0.23 -4.27 118.68 119.09 2c4m s LEU 244 Ca 0.16 1.43 -0.02 0.00 -0.22 0.00 0.00 54.13 55.48 2c4m s LEU 244 Cb 0.03 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 2c4m s LEU 244 CO 0.00 0.13 0.96 -1.22 -1.32 0.00 0.00 176.35 174.90 2c4m n TYR 245 N 2.23 -2.24 -1.79 5.38 4.01 -1.26 -4.55 117.16 118.95 2c4m n TYR 245 Ca -0.06 0.91 -0.41 0.00 -0.16 0.00 0.00 57.90 58.18 2c4m n TYR 245 Cb 0.50 -4.78 0.00 0.00 -0.31 0.00 0.00 39.34 34.76 2c4m n TYR 245 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2c4m s PRO 246 N -5.17 3.97 0.28 -0.72 0.04 -1.26 -4.90 135.00 127.24 2c4m s PRO 246 Ca 0.12 2.54 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2c4m s PRO 246 Cb -0.02 -2.87 -0.14 0.00 0.04 0.00 0.00 34.50 31.52 2c4m s PRO 246 CO 0.74 -0.63 1.21 -1.71 0.04 0.00 0.00 177.00 176.64 2c4m n ASN 247 N 0.25 2.10 -2.58 6.66 2.85 -1.26 -4.91 115.26 118.37 2c4m n ASN 247 Ca 0.02 1.17 -0.11 0.00 -0.11 0.00 0.00 54.58 55.55 2c4m n ASN 247 Cb 0.40 -1.37 0.03 0.00 1.24 0.00 0.00 39.78 40.08 2c4m n ASN 247 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2c4m n ASP 248 N 1.40 2.62 0.17 1.20 5.75 -1.26 -4.64 116.55 121.79 2c4m n ASP 248 Ca 0.09 -2.82 0.05 0.00 -0.01 0.00 0.00 54.79 52.10 2c4m n ASP 248 Cb 0.32 -0.47 0.21 0.00 -1.03 0.00 0.00 41.12 40.16 2c4m n ASP 248 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2c4m h THR 249 N 3.68 0.85 -2.10 2.12 1.35 -1.92 -3.38 112.91 113.52 2c4m h THR 249 Ca 0.03 -1.81 -0.46 0.00 -0.55 0.00 0.00 66.41 63.62 2c4m h THR 249 Cb 1.23 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 2c4m h THR 249 CO 0.49 0.42 -0.43 0.42 -0.25 0.00 0.00 175.52 176.17 2c4m s THR 250 N -3.32 4.85 0.17 6.82 -4.23 -1.26 -4.99 115.64 113.67 2c4m s THR 250 Ca 0.02 -1.06 -0.15 0.00 -1.18 0.00 0.00 61.69 59.32 2c4m s THR 250 Cb 0.09 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.30 2c4m s THR 250 CO 0.71 -0.29 1.73 0.22 -0.54 0.00 0.00 174.62 176.45 2c4m h TYR 251 N 1.16 0.17 -0.47 3.99 3.20 -2.00 -1.06 116.97 121.97 2c4m h TYR 251 Ca -0.50 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 2c4m h TYR 251 Cb 1.24 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 2c4m h TYR 251 CO 0.46 0.04 0.25 0.93 -1.64 0.00 0.00 178.16 178.20 2c4m h GLU 252 N 0.24 0.64 -0.34 1.82 3.07 -1.96 0.38 114.58 118.44 2c4m h GLU 252 Ca 0.19 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.83 2c4m h GLU 252 Cb 0.22 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2c4m h GLU 252 CO -0.24 0.48 -0.42 0.78 -1.40 0.00 0.00 179.01 178.21 2c4m h GLY 253 N 0.73 0.93 1.00 -3.84 0.00 -1.58 -2.17 103.07 98.14 2c4m h GLY 253 Ca 0.17 -0.98 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 2c4m h GLY 253 CO -0.03 0.88 0.28 0.50 0.00 0.00 0.00 176.54 178.18 2c4m h LYS 254 N 0.69 0.93 -0.15 4.80 1.57 -0.53 -2.36 116.57 121.52 2c4m h LYS 254 Ca 0.05 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2c4m h LYS 254 Cb 1.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2c4m h LYS 254 CO 0.10 0.77 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.43 2c4m h LYS 255 N 0.88 0.23 -0.30 3.15 3.64 -0.79 -2.07 116.57 121.32 2c4m h LYS 255 Ca 0.22 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 2c4m h LYS 255 Cb 0.16 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2c4m h LYS 255 CO -0.02 0.33 -0.25 1.25 -2.27 0.00 0.00 179.45 178.49 2c4m h LEU 256 N 0.22 0.73 -0.55 5.20 5.85 -1.11 -0.66 115.31 125.00 2c4m h LEU 256 Ca 0.05 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.37 2c4m h LEU 256 Cb 0.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2c4m h LEU 256 CO 0.02 1.03 0.26 0.03 -0.34 0.00 0.00 178.44 179.44 2c4m h ARG 257 N 0.44 0.47 -0.37 1.25 2.47 -0.90 0.06 114.38 117.81 2c4m h ARG 257 Ca 0.05 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.65 2c4m h ARG 257 Cb 0.81 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.01 2c4m h ARG 257 CO 0.06 0.31 -0.17 0.28 0.56 0.00 0.00 179.97 181.02 2c4m h VAL 258 N 0.49 1.26 -0.56 2.04 2.07 -1.29 -2.36 116.25 117.89 2c4m h VAL 258 Ca 0.25 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2c4m h VAL 258 Cb 0.21 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2c4m h VAL 258 CO -0.20 0.40 0.34 0.03 0.02 0.00 0.00 177.57 178.16 2c4m h ARG 259 N 0.61 0.65 -0.73 1.57 3.08 -0.16 -0.53 114.38 118.87 2c4m h ARG 259 Ca 0.10 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.15 2c4m h ARG 259 Cb 0.63 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2c4m h ARG 259 CO 0.04 0.43 0.45 1.96 -1.07 0.00 0.00 179.97 181.79 2c4m h GLN 260 N 0.67 0.85 -0.17 0.04 4.20 -0.73 0.79 115.11 120.75 2c4m h GLN 260 Ca 0.23 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.67 2c4m h GLN 260 Cb 0.03 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.63 2c4m h GLN 260 CO -0.10 0.56 -0.72 1.96 -0.67 0.00 0.00 178.83 179.86 2c4m h GLN 261 N 0.87 0.79 -0.56 1.46 4.20 -1.03 -2.94 115.11 117.90 2c4m h GLN 261 Ca 0.30 -0.62 -0.09 0.00 0.06 0.00 0.00 58.65 58.30 2c4m h GLN 261 Cb 0.06 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2c4m h GLN 261 CO -0.13 1.23 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.32 2c4m h TYR 262 N 0.52 1.08 0.21 2.96 3.20 -0.97 -2.82 116.97 121.15 2c4m h TYR 262 Ca -0.04 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.65 2c4m h TYR 262 Cb 1.35 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2c4m h TYR 262 CO 0.09 0.97 -0.40 0.35 -1.64 0.00 0.00 178.16 177.53 2c4m h PHE 263 N 0.90 -1.12 0.00 -3.82 3.57 -0.71 1.00 116.94 116.76 2c4m h PHE 263 Ca 0.16 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 2c4m h PHE 263 Cb 0.56 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2c4m h PHE 263 CO 0.04 -0.52 -0.61 0.27 -2.23 0.00 0.00 178.31 175.25 2c4m h PHE 264 N -0.70 0.00 -0.20 0.41 -0.00 -1.59 -1.91 116.94 112.95 2c4m h PHE 264 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 57.77 2c4m h PHE 264 Cb 0.69 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.64 2c4m h PHE 264 CO -0.31 0.61 -0.67 1.79 -0.00 0.00 0.00 178.31 179.73 2c4m h THR 265 N 0.00 1.28 -0.21 0.88 1.35 -1.42 -0.74 112.91 114.05 2c4m h THR 265 Ca -0.01 -1.87 -0.02 0.00 -0.55 0.00 0.00 66.41 63.97 2c4m h THR 265 Cb 1.38 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.64 2c4m h THR 265 CO 0.08 0.60 0.07 -1.28 -0.25 0.00 0.00 175.52 174.74 2c4m h SER 266 N 0.57 0.31 -0.59 5.36 0.87 -0.75 -1.14 113.55 118.17 2c4m h SER 266 Ca -0.03 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2c4m h SER 266 Cb 1.30 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 2c4m h SER 266 CO 0.14 0.42 0.39 0.00 -0.53 0.00 0.00 176.83 177.25 2c4m h ALA 267 N 0.90 0.75 -0.27 6.23 0.00 -1.37 -1.20 119.26 124.31 2c4m h ALA 267 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2c4m h ALA 267 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2c4m h ALA 267 CO -0.00 0.17 0.11 0.77 0.00 0.00 0.00 179.25 180.30 2c4m h SER 268 N 0.79 0.37 -0.66 0.00 0.02 -0.96 -1.91 113.55 111.20 2c4m h SER 268 Ca 0.22 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2c4m h SER 268 Cb -0.08 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2c4m h SER 268 CO -0.05 0.43 0.21 -0.07 -1.14 0.00 0.00 176.83 176.22 2c4m h LEU 269 N 0.29 0.96 -0.43 5.07 3.38 -1.05 -0.10 115.31 123.42 2c4m h LEU 269 Ca 0.09 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2c4m h LEU 269 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2c4m h LEU 269 CO -0.01 0.90 0.23 1.56 0.09 0.00 0.00 178.44 181.22 2c4m h GLN 270 N 0.95 0.45 -0.33 1.13 4.20 -1.09 0.15 115.11 120.58 2c4m h GLN 270 Ca 0.21 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 2c4m h GLN 270 Cb 0.29 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2c4m h GLN 270 CO -0.01 0.30 -0.23 0.00 -0.67 0.00 0.00 178.83 178.22 2c4m h ALA 271 N 1.21 0.99 -0.73 3.87 0.00 -1.11 -0.70 119.26 122.79 2c4m h ALA 271 Ca 0.18 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2c4m h ALA 271 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2c4m h ALA 271 CO -0.11 0.60 0.32 0.52 0.00 0.00 0.00 179.25 180.58 2c4m h MET 272 N 0.56 1.07 -0.54 0.00 2.86 -0.59 -0.96 114.93 117.33 2c4m h MET 272 Ca 0.08 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 2c4m h MET 272 Cb 0.70 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2c4m h MET 272 CO 0.05 0.86 -0.07 0.82 1.06 0.00 0.00 176.91 179.64 2c4m h ILE 273 N 1.03 1.27 -0.10 -1.22 2.04 -0.76 -0.24 117.51 119.53 2c4m h ILE 273 Ca 0.25 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.94 2c4m h ILE 273 Cb 0.17 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2c4m h ILE 273 CO -0.03 0.43 -0.29 1.56 0.00 0.00 0.00 178.15 179.82 2c4m h GLN 274 N 0.87 -0.37 -0.69 2.37 4.20 -0.87 -1.04 115.11 119.59 2c4m h GLN 274 Ca 0.14 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2c4m h GLN 274 Cb 0.62 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2c4m h GLN 274 CO 0.04 -0.25 0.44 0.22 -0.67 0.00 0.00 178.83 178.61 2c4m h ASP 275 N -0.39 0.81 -0.60 1.46 3.58 -1.03 -2.68 116.42 117.56 2c4m h ASP 275 Ca 0.09 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.53 2c4m h ASP 275 Cb 0.52 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 2c4m h ASP 275 CO -0.31 0.61 0.37 -0.74 -2.88 0.00 0.00 179.24 176.28 2c4m h HIS 276 N 0.93 0.68 0.00 0.28 2.76 -0.54 -1.88 115.15 117.39 2c4m h HIS 276 Ca 0.25 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2c4m h HIS 276 Cb -0.07 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.67 2c4m h HIS 276 CO -0.02 0.39 0.00 1.28 -1.30 0.00 0.00 177.93 178.28 2c4m n LEU 277 N -4.74 0.00 0.02 0.26 4.77 -0.44 0.04 117.00 116.91 2c4m n LEU 277 Ca 0.06 0.08 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2c4m n LEU 277 Cb 0.09 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2c4m n LEU 277 CO 0.32 -0.01 0.13 0.00 -1.33 0.00 0.00 177.39 176.50 2c4m n ALA 278 N -1.08 3.57 0.05 -1.18 0.00 -0.73 -4.20 120.51 116.94 2c4m n ALA 278 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.23 2c4m n ALA 278 Cb 0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2c4m n ALA 278 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2c4m n HIS 279 N -1.81 0.00 -4.14 0.00 8.25 -0.56 -5.06 115.22 111.90 2c4m n HIS 279 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 2c4m n HIS 279 Cb 0.40 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 2c4m n HIS 279 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2c4m s HIS 280 N -1.68 0.75 0.05 4.41 3.76 0.11 -5.07 115.29 117.62 2c4m s HIS 280 Ca 0.00 -1.02 -0.25 0.00 -0.15 0.00 0.00 55.06 53.64 2c4m s HIS 280 Cb 0.02 -0.47 -0.17 0.00 1.11 0.00 0.00 32.58 33.07 2c4m s HIS 280 CO 0.09 -0.29 1.56 -0.22 -0.85 0.00 0.00 174.74 175.03 2c4m h LYS 281 N 3.01 -0.18 0.00 1.40 3.64 -1.86 -3.39 116.57 119.20 2c4m h LYS 281 Ca -0.35 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2c4m h LYS 281 Cb 1.16 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2c4m h LYS 281 CO 0.65 0.01 -0.01 -0.40 -2.27 0.00 0.00 179.45 177.42 2c4m n ASP 282 N -5.10 -0.08 -0.05 4.20 5.68 -1.26 -4.97 116.55 114.96 2c4m n ASP 282 Ca -0.09 -1.12 0.11 0.00 -0.50 0.00 0.00 54.79 53.20 2c4m n ASP 282 Cb 0.15 0.16 0.14 0.00 -1.14 0.00 0.00 41.12 40.43 2c4m n ASP 282 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c4m n LEU 283 N 0.00 0.78 0.09 -2.12 4.77 -1.26 -4.13 117.00 115.13 2c4m n LEU 283 Ca 0.00 -0.22 0.20 0.00 -0.03 0.00 0.00 56.01 55.96 2c4m n LEU 283 Cb 0.04 -0.15 0.75 0.00 -2.33 0.00 0.00 43.42 41.73 2c4m n LEU 283 CO 0.02 0.18 1.18 0.77 -1.33 0.00 0.00 177.39 178.21 2c4m h SER 284 N 0.24 0.00 -0.51 -1.43 4.64 -2.00 0.26 113.55 114.75 2c4m h SER 284 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2c4m h SER 284 Cb 0.51 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.45 2c4m h SER 284 CO 0.00 0.00 0.09 -0.46 -0.87 0.00 0.00 176.83 175.59 2c4m n ASN 285 N -3.87 2.84 -0.27 4.97 6.94 -1.26 -4.71 115.26 119.90 2c4m n ASN 285 Ca 0.07 -3.71 0.01 0.00 -0.02 0.00 0.00 54.58 50.92 2c4m n ASN 285 Cb 0.57 -0.68 0.14 0.00 -2.36 0.00 0.00 39.78 37.44 2c4m n ASN 285 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2c4m h PHE 286 N 1.06 0.77 0.00 -2.53 3.57 -0.74 -2.58 116.94 116.50 2c4m h PHE 286 Ca 0.31 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 2c4m h PHE 286 Cb 1.95 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 2c4m h PHE 286 CO 1.16 0.34 -0.22 0.00 -2.23 0.00 0.00 178.31 177.36 2c4m h ALA 287 N 1.41 0.92 -0.25 2.41 0.00 -1.81 -0.12 119.26 121.83 2c4m h ALA 287 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2c4m h ALA 287 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2c4m h ALA 287 CO -0.22 0.28 0.03 0.93 0.00 0.00 0.00 179.25 180.27 2c4m h GLU 288 N 0.00 0.36 -0.00 0.00 5.08 -1.81 -3.25 114.58 114.95 2c4m h GLU 288 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2c4m h GLU 288 Cb 0.93 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2c4m h GLU 288 CO 0.03 0.36 -0.67 1.19 -1.00 0.00 0.00 179.01 178.92 2c4m n PHE 289 N -4.37 0.00 -4.04 4.33 3.72 -0.94 -4.79 117.46 111.37 2c4m n PHE 289 Ca 0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.24 2c4m n PHE 289 Cb 0.18 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.56 2c4m n PHE 289 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2c4m s HIS 290 N -2.35 0.41 0.18 1.38 3.76 -0.10 -0.02 115.29 118.54 2c4m s HIS 290 Ca 0.06 -0.06 0.11 0.00 -0.15 0.00 0.00 55.06 55.02 2c4m s HIS 290 Cb 0.11 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 2c4m s HIS 290 CO 0.59 -0.09 -0.24 -1.54 -0.85 0.00 0.00 174.74 172.61 2c4m s SER 291 N 0.56 3.35 -0.10 1.40 1.04 -0.20 -4.47 113.70 115.29 2c4m s SER 291 Ca -0.06 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.55 2c4m s SER 291 Cb -0.09 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.80 2c4m s SER 291 CO -0.01 0.13 -0.14 -0.69 0.98 0.00 0.00 173.24 173.51 2c4m s VAL 292 N -1.54 1.38 -0.16 5.02 1.01 0.28 0.21 120.40 126.60 2c4m s VAL 292 Ca 0.19 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2c4m s VAL 292 Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2c4m s VAL 292 CO 0.09 0.42 0.35 -1.58 0.00 0.00 0.00 175.10 174.38 2c4m s GLN 293 N 0.99 4.27 -0.49 2.72 2.00 -0.35 -0.95 119.66 127.85 2c4m s GLN 293 Ca -0.07 0.20 -0.16 0.00 -2.00 0.00 0.00 55.36 53.32 2c4m s GLN 293 Cb -0.15 -3.44 0.08 0.00 0.80 0.00 0.00 33.01 30.30 2c4m s GLN 293 CO -0.01 0.18 0.45 -0.51 -0.50 0.00 0.00 175.29 174.90 2c4m s LEU 294 N 0.62 5.61 -0.68 3.68 1.43 0.81 -1.56 118.68 128.59 2c4m s LEU 294 Ca 0.19 -1.34 -0.27 0.00 -1.03 0.00 0.00 54.13 51.68 2c4m s LEU 294 Cb -0.14 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2c4m s LEU 294 CO 0.06 -0.73 1.32 0.21 0.23 0.00 0.00 176.35 177.44 2c4m s ASN 295 N 2.80 6.16 0.70 2.29 2.47 -1.00 -0.99 114.94 127.37 2c4m s ASN 295 Ca 0.06 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.15 2c4m s ASN 295 Cb -0.24 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.00 2c4m s ASN 295 CO 0.07 -1.79 0.00 -0.67 -3.72 0.00 0.00 177.10 170.99 2c4m n ASP 296 N 9.44 -3.89 -0.12 -4.21 -0.08 -0.89 -4.35 116.55 112.44 2c4m n ASP 296 Ca 0.07 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.47 2c4m n ASP 296 Cb 0.49 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.18 2c4m n ASP 296 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2c4m n THR 297 N -1.19 0.00 -0.34 5.18 -2.24 -1.26 -4.37 114.28 110.05 2c4m n THR 297 Ca 0.00 -0.07 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 2c4m n THR 297 Cb 0.00 0.47 0.36 0.00 -2.10 0.00 0.00 70.33 69.06 2c4m n THR 297 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2c4m h HIS 298 N 0.61 1.00 -0.47 4.78 3.86 -1.97 -1.38 115.15 121.57 2c4m h HIS 298 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2c4m h HIS 298 Cb 0.52 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2c4m h HIS 298 CO 0.00 0.19 0.00 -0.35 0.86 0.00 0.00 177.93 178.63 2c4m n PRO 299 N -4.76 3.09 0.30 2.45 -0.05 -1.26 -4.50 135.00 130.27 2c4m n PRO 299 Ca 0.24 -2.11 0.18 0.00 -0.05 0.00 0.00 63.50 61.76 2c4m n PRO 299 Cb 0.64 -1.76 0.90 0.00 -0.05 0.00 0.00 33.50 33.22 2c4m n PRO 299 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 2c4m h VAL 300 N 2.99 0.18 0.00 0.52 2.07 -1.53 -0.70 116.25 119.79 2c4m h VAL 300 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2c4m h VAL 300 Cb 1.18 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2c4m h VAL 300 CO 0.19 0.04 0.00 0.18 0.02 0.00 0.00 177.57 178.00 2c4m n LEU 301 N -3.27 0.33 0.29 2.57 4.77 -1.26 -1.20 117.00 119.23 2c4m n LEU 301 Ca -0.01 0.62 0.16 0.00 -0.03 0.00 0.00 56.01 56.75 2c4m n LEU 301 Cb 0.20 -0.62 0.93 0.00 -2.33 0.00 0.00 43.42 41.59 2c4m n LEU 301 CO 0.25 -0.61 1.14 0.00 -1.33 0.00 0.00 177.39 176.84 2c4m h ALA 302 N 2.15 1.52 0.12 -1.18 0.00 -1.46 -1.74 119.26 118.67 2c4m h ALA 302 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2c4m h ALA 302 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2c4m h ALA 302 CO 0.00 -0.05 -0.06 0.82 0.00 0.00 0.00 179.25 179.96 2c4m h ILE 303 N 0.00 0.95 -0.26 0.00 2.04 -1.38 0.22 117.51 119.07 2c4m h ILE 303 Ca 0.01 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 2c4m h ILE 303 Cb 0.09 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2c4m h ILE 303 CO -0.00 0.26 -0.02 1.55 0.00 0.00 0.00 178.15 179.94 2c4m h PRO 304 N -0.87 0.40 -0.44 2.37 0.13 -1.73 -2.44 132.00 129.42 2c4m h PRO 304 Ca -0.02 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.89 2c4m h PRO 304 Cb 0.55 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2c4m h PRO 304 CO 0.03 0.44 -0.29 1.49 -0.23 0.00 0.00 178.00 179.45 2c4m h GLU 305 N 0.39 0.96 -0.47 0.86 4.57 -1.19 -0.37 114.58 119.32 2c4m h GLU 305 Ca 0.09 -0.44 -0.05 0.00 -1.18 0.00 0.00 59.36 57.78 2c4m h GLU 305 Cb 0.29 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2c4m h GLU 305 CO 0.01 1.11 0.10 1.25 -1.18 0.00 0.00 179.01 180.30 2c4m h LEU 306 N 0.81 0.67 -0.35 1.64 5.85 -0.39 -1.30 115.31 122.25 2c4m h LEU 306 Ca 0.09 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2c4m h LEU 306 Cb 0.87 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2c4m h LEU 306 CO 0.08 0.68 0.18 0.24 -0.34 0.00 0.00 178.44 179.27 2c4m h MET 307 N 0.70 0.36 0.09 1.25 2.86 -1.04 -1.30 114.93 117.84 2c4m h MET 307 Ca 0.16 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2c4m h MET 307 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2c4m h MET 307 CO -0.00 0.24 -0.13 -0.09 1.06 0.00 0.00 176.91 177.99 2c4m h ARG 308 N 0.37 -0.25 -0.21 1.72 2.43 -0.60 -1.19 114.38 116.65 2c4m h ARG 308 Ca 0.14 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2c4m h ARG 308 Cb 0.04 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2c4m h ARG 308 CO -0.09 -0.17 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.10 2c4m h LEU 309 N -0.26 -0.14 -0.32 3.80 3.38 -1.10 0.43 115.31 121.10 2c4m h LEU 309 Ca 0.02 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2c4m h LEU 309 Cb 0.27 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2c4m h LEU 309 CO -0.07 -0.04 0.18 -0.07 0.09 0.00 0.00 178.44 178.53 2c4m h LEU 310 N 0.03 0.28 0.14 1.67 3.38 -1.09 0.12 115.31 119.84 2c4m h LEU 310 Ca 0.10 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 2c4m h LEU 310 Cb 0.14 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.86 2c4m h LEU 310 CO -0.19 0.21 -0.92 0.24 0.09 0.00 0.00 178.44 177.87 2c4m h MET 311 N 0.37 0.37 0.00 1.13 2.86 -1.07 -1.61 114.93 116.98 2c4m h MET 311 Ca 0.13 -0.59 -0.16 0.00 -2.06 0.00 0.00 59.70 57.02 2c4m h MET 311 Cb 0.02 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2c4m h MET 311 CO -0.07 1.27 -0.93 -0.44 1.06 0.00 0.00 176.91 177.79 2c4m h ASP 312 N -0.22 0.00 0.00 1.22 5.19 -0.16 -3.17 116.42 119.29 2c4m h ASP 312 Ca -0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2c4m h ASP 312 Cb 1.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.21 2c4m h ASP 312 CO 0.17 0.68 -0.34 -0.62 -3.12 0.00 0.00 179.24 176.01 2c4m n GLU 313 N -3.16 4.82 -0.54 3.56 1.02 0.39 -4.64 120.64 122.08 2c4m n GLU 313 Ca -0.03 -0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.15 2c4m n GLU 313 Cb 0.84 -0.75 0.08 0.00 -0.02 0.00 0.00 31.44 31.58 2c4m n GLU 313 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2c4m n HIS 314 N -1.18 0.00 -2.59 -0.32 8.25 -1.08 -5.01 115.22 113.28 2c4m n HIS 314 Ca 0.00 -0.60 -0.15 0.00 -0.26 0.00 0.00 57.72 56.71 2c4m n HIS 314 Cb 0.07 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.05 2c4m n HIS 314 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2c4m n ASP 315 N -0.53 -4.15 -4.86 0.41 9.92 -1.16 -4.88 116.55 111.30 2c4m n ASP 315 Ca 0.09 0.07 -0.34 0.00 -0.53 0.00 0.00 54.79 54.09 2c4m n ASP 315 Cb 0.75 -3.50 -0.06 0.00 -0.64 0.00 0.00 41.12 37.68 2c4m n ASP 315 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2c4m s MET 316 N -5.20 3.90 0.80 -1.24 1.75 -0.63 -4.97 119.30 113.71 2c4m s MET 316 Ca 0.07 0.41 -0.11 0.00 -1.25 0.00 0.00 55.69 54.81 2c4m s MET 316 Cb -0.04 -2.76 0.07 0.00 2.84 0.00 0.00 34.83 34.95 2c4m s MET 316 CO 0.09 0.38 1.09 0.20 -0.65 0.00 0.00 175.02 176.12 2c4m s GLY 317 N -2.05 1.63 0.10 2.11 0.00 -1.26 -4.17 107.32 103.68 2c4m s GLY 317 Ca 0.44 -0.09 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 2c4m s GLY 317 CO 0.20 0.33 1.73 -0.25 0.00 0.00 0.00 173.10 175.11 2c4m h TRP 318 N -1.14 -0.01 -0.06 1.90 2.91 -1.98 -1.38 115.95 116.19 2c4m h TRP 318 Ca -0.47 0.01 0.03 0.00 1.13 0.00 0.00 58.89 59.59 2c4m h TRP 318 Cb 1.26 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.89 2c4m h TRP 318 CO 0.49 -0.01 -0.11 1.49 -1.03 0.00 0.00 178.44 179.26 2c4m h GLU 319 N 0.02 -0.15 -0.93 2.65 4.81 -1.99 0.19 114.58 119.17 2c4m h GLU 319 Ca 0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2c4m h GLU 319 Cb 0.04 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 2c4m h GLU 319 CO -0.07 -0.10 0.59 1.49 -0.73 0.00 0.00 179.01 180.19 2c4m h GLU 320 N -0.16 1.25 0.00 1.92 4.81 -1.94 -0.69 114.58 119.77 2c4m h GLU 320 Ca 0.06 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2c4m h GLU 320 Cb 0.25 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2c4m h GLU 320 CO -0.16 0.85 -0.00 0.77 -0.73 0.00 0.00 179.01 179.74 2c4m h SER 321 N 1.28 -0.00 -0.23 1.04 0.02 -0.71 -2.11 113.55 112.83 2c4m h SER 321 Ca 0.34 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2c4m h SER 321 Cb -0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2c4m h SER 321 CO -0.07 0.26 0.08 -0.25 -1.14 0.00 0.00 176.83 175.71 2c4m h TRP 322 N -0.26 0.44 -0.65 3.45 2.91 -0.49 0.47 115.95 121.81 2c4m h TRP 322 Ca -0.00 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 2c4m h TRP 322 Cb 0.26 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.75 2c4m h TRP 322 CO 0.01 0.39 0.34 0.00 -1.03 0.00 0.00 178.44 178.15 2c4m h ALA 323 N 1.65 0.83 -0.14 2.65 0.00 -0.92 0.27 119.26 123.61 2c4m h ALA 323 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2c4m h ALA 323 Cb 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2c4m h ALA 323 CO -0.00 0.37 -0.01 0.82 0.00 0.00 0.00 179.25 180.42 2c4m h ILE 324 N 0.89 1.27 -0.63 0.00 2.04 -0.63 -2.89 117.51 117.55 2c4m h ILE 324 Ca 0.23 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2c4m h ILE 324 Cb 0.08 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2c4m h ILE 324 CO -0.03 0.26 0.33 0.58 0.00 0.00 0.00 178.15 179.28 2c4m h VAL 325 N -0.02 0.93 0.00 1.67 2.07 -0.50 -1.37 116.25 119.02 2c4m h VAL 325 Ca 0.04 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2c4m h VAL 325 Cb 0.41 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2c4m h VAL 325 CO 0.01 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 176.17 2c4m n SER 326 N -4.84 0.30 -0.34 0.57 3.41 0.91 -1.93 113.62 111.70 2c4m n SER 326 Ca 0.08 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 2c4m n SER 326 Cb 0.19 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 2c4m n SER 326 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2c4m n LYS 327 N -1.83 1.68 -0.11 4.33 5.02 -0.64 -3.87 118.16 122.73 2c4m n LYS 327 Ca 0.03 -0.75 -0.25 0.00 -2.02 0.00 0.00 58.31 55.32 2c4m n LYS 327 Cb 0.19 -1.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.81 2c4m n LYS 327 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2c4m n THR 328 N -0.21 1.56 -3.26 -0.18 -1.04 -0.61 -4.90 114.28 105.63 2c4m n THR 328 Ca 0.06 -0.35 -0.39 0.00 -2.04 0.00 0.00 64.05 61.34 2c4m n THR 328 Cb 0.34 -1.83 -0.06 0.00 -1.82 0.00 0.00 70.33 66.96 2c4m n THR 328 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2c4m s PHE 329 N -2.48 3.66 0.21 -1.42 0.08 -1.08 -0.56 117.98 116.41 2c4m s PHE 329 Ca -0.33 1.12 0.11 0.00 0.12 0.00 0.00 56.93 57.95 2c4m s PHE 329 Cb 0.10 -2.56 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 2c4m s PHE 329 CO 0.57 0.36 -0.22 0.00 -0.10 0.00 0.00 175.22 175.84 2c4m s ALA 330 N -0.18 2.63 -0.05 5.36 0.00 -0.12 -1.31 121.76 128.08 2c4m s ALA 330 Ca 0.29 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2c4m s ALA 330 Cb -0.18 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2c4m s ALA 330 CO 0.16 0.40 -0.05 -0.47 0.00 0.00 0.00 175.76 175.80 2c4m s TYR 331 N -1.87 0.85 -0.25 0.00 5.04 0.87 -0.14 117.35 121.86 2c4m s TYR 331 Ca 0.23 -0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.52 2c4m s TYR 331 Cb -0.07 -0.76 -0.03 0.00 0.35 0.00 0.00 41.96 41.44 2c4m s TYR 331 CO 0.12 -0.24 0.09 0.99 -1.34 0.00 0.00 175.55 175.17 2c4m s THR 332 N 1.09 4.52 0.10 4.34 2.01 -0.16 -1.63 115.64 125.92 2c4m s THR 332 Ca -0.08 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.63 2c4m s THR 332 Cb -0.14 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.19 2c4m s THR 332 CO -0.01 0.33 0.59 0.21 -0.69 0.00 0.00 174.62 175.05 2c4m s ASN 333 N 1.55 7.04 -0.04 3.53 2.47 -0.20 -2.08 114.94 127.21 2c4m s ASN 333 Ca 0.06 1.26 0.03 0.00 0.42 0.00 0.00 52.86 54.64 2c4m s ASN 333 Cb -0.15 -2.36 -0.05 0.00 -1.45 0.00 0.00 41.25 37.24 2c4m s ASN 333 CO 0.05 0.23 0.01 1.41 -3.72 0.00 0.00 177.10 175.07 2c4m n HIS 334 N 1.48 0.00 -4.24 0.43 8.25 -1.26 -4.15 115.22 115.74 2c4m n HIS 334 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 2c4m n HIS 334 Cb 0.51 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.34 2c4m n HIS 334 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2c4m s THR 335 N -2.10 2.86 -0.17 1.59 -4.23 -1.26 -4.75 115.64 107.59 2c4m s THR 335 Ca -0.02 -1.86 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2c4m s THR 335 Cb 0.01 -2.87 0.05 0.00 1.34 0.00 0.00 72.50 71.03 2c4m s THR 335 CO 0.17 -0.21 1.38 0.58 -0.54 0.00 0.00 174.62 176.00 2c4m h VAL 336 N 1.71 0.78 -3.00 2.29 2.07 -1.94 -3.47 116.25 114.70 2c4m h VAL 336 Ca -0.43 -2.14 -0.61 0.00 0.82 0.00 0.00 66.70 64.35 2c4m h VAL 336 Cb 1.25 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 33.34 2c4m h VAL 336 CO 0.65 0.45 -0.41 -0.76 0.02 0.00 0.00 177.57 177.51 2c4m s LEU 337 N -6.36 4.33 0.00 2.57 1.02 -1.26 -4.50 118.68 114.47 2c4m s LEU 337 Ca 0.03 0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2c4m s LEU 337 Cb 0.08 -3.03 0.00 0.00 0.02 0.00 0.00 46.19 43.26 2c4m s LEU 337 CO 0.75 0.14 0.36 0.41 0.02 0.00 0.00 176.35 178.03 2c4m n THR 338 N 0.39 0.00 0.00 5.49 -1.04 -1.26 -4.54 114.28 113.32 2c4m n THR 338 Ca -0.05 0.86 0.00 0.00 -2.04 0.00 0.00 64.05 62.81 2c4m n THR 338 Cb 0.52 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2c4m n THR 338 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2c4m n GLU 339 N -0.56 0.00 0.00 -2.82 2.13 -1.26 -0.74 120.64 117.39 2c4m n GLU 339 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2c4m n GLU 339 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2c4m n GLU 339 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2c4m n ALA 340 N 1.25 1.45 -1.58 4.31 0.00 -1.26 -4.67 120.51 120.01 2c4m n ALA 340 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2c4m n ALA 340 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2c4m n ALA 340 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c4m s LEU 341 N -2.03 3.42 0.19 0.00 1.43 0.08 -4.80 118.68 116.97 2c4m s LEU 341 Ca 0.00 1.48 -0.33 0.00 -1.03 0.00 0.00 54.13 54.25 2c4m s LEU 341 Cb 0.00 -3.00 -0.15 0.00 0.03 0.00 0.00 46.19 43.07 2c4m s LEU 341 CO 0.00 -2.43 1.31 -0.62 0.23 0.00 0.00 176.35 174.84 2c4m n GLU 342 N 8.89 1.58 -4.07 1.70 1.02 -1.26 -4.91 120.64 123.59 2c4m n GLU 342 Ca 0.33 0.56 -0.22 0.00 -0.02 0.00 0.00 57.16 57.82 2c4m n GLU 342 Cb 0.50 -2.16 -0.17 0.00 -0.02 0.00 0.00 31.44 29.59 2c4m n GLU 342 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2c4m s GLN 343 N -0.18 0.90 -0.01 3.49 -0.21 -1.26 -1.90 119.66 120.48 2c4m s GLN 343 Ca 0.73 -0.09 0.06 0.00 0.02 0.00 0.00 55.36 56.08 2c4m s GLN 343 Cb -0.77 -0.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 2c4m s GLN 343 CO 0.49 -0.14 -0.19 -1.58 -2.12 0.00 0.00 175.29 171.75 2c4m s TRP 344 N 1.23 1.71 0.15 0.91 0.52 -0.44 -4.91 118.94 118.10 2c4m s TRP 344 Ca -0.06 -0.33 -0.34 0.00 0.02 0.00 0.00 56.10 55.39 2c4m s TRP 344 Cb -0.14 -1.09 -0.14 0.00 -1.15 0.00 0.00 33.47 30.95 2c4m s TRP 344 CO -0.02 -0.02 1.54 -0.25 0.02 0.00 0.00 176.95 178.23 2c4m n ASP 345 N 2.53 2.89 0.29 2.95 8.00 -1.26 0.81 116.55 132.77 2c4m n ASP 345 Ca -0.15 1.09 0.16 0.00 0.71 0.00 0.00 54.79 56.60 2c4m n ASP 345 Cb 0.53 -1.39 0.91 0.00 -0.02 0.00 0.00 41.12 41.15 2c4m n ASP 345 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2c4m h GLU 346 N 5.71 0.00 -0.17 -1.24 4.11 -1.62 -2.38 114.58 118.99 2c4m h GLU 346 Ca -0.45 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 2c4m h GLU 346 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2c4m h GLU 346 CO 0.87 0.04 -0.03 -0.56 0.07 0.00 0.00 179.01 179.40 2c4m h GLN 347 N 0.00 0.25 -0.67 1.06 3.07 -1.88 -1.77 115.11 115.18 2c4m h GLN 347 Ca -0.00 -0.04 0.02 0.00 0.09 0.00 0.00 58.65 58.72 2c4m h GLN 347 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.60 2c4m h GLN 347 CO 0.00 0.31 0.42 0.82 0.09 0.00 0.00 178.83 180.47 2c4m h ILE 348 N 0.25 1.11 -0.36 1.86 2.04 -1.80 -0.44 117.51 120.18 2c4m h ILE 348 Ca 0.06 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 2c4m h ILE 348 Cb 0.22 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2c4m h ILE 348 CO 0.01 0.15 -0.35 -0.26 0.00 0.00 0.00 178.15 177.70 2c4m h PHE 349 N 0.84 1.04 -0.69 1.37 0.04 -1.52 0.10 116.94 118.12 2c4m h PHE 349 Ca 0.26 -0.31 0.01 0.00 2.80 0.00 0.00 57.97 60.73 2c4m h PHE 349 Cb -0.01 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 2c4m h PHE 349 CO -0.04 1.11 0.46 1.96 -0.60 0.00 0.00 178.31 181.20 2c4m h GLN 350 N 0.67 0.89 0.22 1.51 4.20 -0.92 -0.66 115.11 121.02 2c4m h GLN 350 Ca 0.06 -0.05 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 2c4m h GLN 350 Cb 0.94 -0.20 0.03 0.00 0.30 0.00 0.00 27.48 28.54 2c4m h GLN 350 CO 0.09 0.59 -1.53 1.96 -0.67 0.00 0.00 178.83 179.27 2c4m h GLN 351 N 0.92 0.47 -0.07 1.46 4.20 -0.81 -3.31 115.11 117.98 2c4m h GLN 351 Ca 0.26 -0.81 -0.21 0.00 0.06 0.00 0.00 58.65 57.95 2c4m h GLN 351 Cb -0.08 0.30 0.01 0.00 0.30 0.00 0.00 27.48 28.02 2c4m h GLN 351 CO -0.06 1.39 -0.77 -0.07 -0.67 0.00 0.00 178.83 178.65 2c4m h LEU 352 N 0.08 0.80 -5.82 1.46 3.38 -0.87 -3.40 115.31 110.93 2c4m h LEU 352 Ca -0.28 -0.69 -0.17 0.00 0.09 0.00 0.00 57.88 56.83 2c4m h LEU 352 Cb 2.10 -0.24 -0.21 0.00 0.09 0.00 0.00 40.66 42.40 2c4m h LEU 352 CO 0.23 1.37 -0.53 0.72 0.09 0.00 0.00 178.44 180.32 2c4m s PHE 353 N -3.50 -1.30 0.29 1.13 -0.12 -0.26 -0.22 117.98 114.00 2c4m s PHE 353 Ca -0.11 -0.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.50 2c4m s PHE 353 Cb 0.06 0.12 0.57 0.00 -0.63 0.00 0.00 43.02 43.15 2c4m s PHE 353 CO 0.88 -1.15 1.85 2.35 -0.05 0.00 0.00 175.22 179.10 2c4m h TRP 354 N 6.42 1.11 -0.63 3.49 2.91 -1.65 -0.63 115.95 126.97 2c4m h TRP 354 Ca 0.06 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.02 2c4m h TRP 354 Cb 1.13 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.40 2c4m h TRP 354 CO 0.17 0.45 0.03 -0.09 -1.03 0.00 0.00 178.44 177.97 2c4m h ARG 355 N 0.98 1.10 -0.63 2.65 9.65 -1.92 -0.02 114.38 126.18 2c4m h ARG 355 Ca 0.48 -0.34 -0.09 0.00 -1.10 0.00 0.00 59.98 58.93 2c4m h ARG 355 Cb 0.48 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 2c4m h ARG 355 CO -0.25 1.05 0.02 0.28 2.80 0.00 0.00 179.97 183.88 2c4m h VAL 356 N 1.01 1.27 -0.48 0.20 2.07 -1.62 -2.42 116.25 116.28 2c4m h VAL 356 Ca 0.18 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.65 2c4m h VAL 356 Cb 0.54 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2c4m h VAL 356 CO 0.03 0.42 0.11 -0.25 0.02 0.00 0.00 177.57 177.89 2c4m h TRP 357 N 1.00 0.17 -0.87 1.57 2.91 -0.62 -1.29 115.95 118.82 2c4m h TRP 357 Ca 0.18 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.34 2c4m h TRP 357 Cb 0.54 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.12 2c4m h TRP 357 CO 0.04 0.01 0.57 0.93 -1.03 0.00 0.00 178.44 178.95 2c4m h GLU 358 N 0.25 0.80 -0.40 2.65 5.08 -0.55 0.45 114.58 122.86 2c4m h GLU 358 Ca 0.24 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 2c4m h GLU 358 Cb 0.31 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2c4m h GLU 358 CO -0.30 0.53 -0.27 0.82 -1.00 0.00 0.00 179.01 178.79 2c4m h ILE 359 N 0.82 1.28 -0.74 3.13 2.04 -1.03 -0.96 117.51 122.04 2c4m h ILE 359 Ca 0.41 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 2c4m h ILE 359 Cb 0.48 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2c4m h ILE 359 CO -0.18 0.48 0.30 0.40 0.00 0.00 0.00 178.15 179.16 2c4m h ILE 360 N 0.72 1.25 -0.16 -0.67 2.04 -0.27 0.33 117.51 120.74 2c4m h ILE 360 Ca 0.08 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 2c4m h ILE 360 Cb 0.85 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2c4m h ILE 360 CO 0.07 0.32 -0.28 0.00 0.00 0.00 0.00 178.15 178.26 2c4m h ALA 361 N 1.15 1.22 -0.09 1.87 0.00 -0.81 -1.36 119.26 121.25 2c4m h ALA 361 Ca 0.25 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2c4m h ALA 361 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2c4m h ALA 361 CO -0.02 0.51 -0.73 1.49 0.00 0.00 0.00 179.25 180.50 2c4m h GLU 362 N 0.27 0.45 -0.56 0.00 4.57 -0.64 0.09 114.58 118.77 2c4m h GLU 362 Ca 0.04 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2c4m h GLU 362 Cb 0.64 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 2c4m h GLU 362 CO 0.05 1.00 0.35 0.82 -1.18 0.00 0.00 179.01 180.05 2c4m h ILE 363 N 0.31 1.16 -0.51 2.32 2.04 -0.48 -0.53 117.51 121.82 2c4m h ILE 363 Ca -0.03 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 2c4m h ILE 363 Cb 1.31 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2c4m h ILE 363 CO 0.13 0.16 -0.07 -0.78 0.00 0.00 0.00 178.15 177.60 2c4m h ASP 364 N 0.76 0.94 -0.29 1.72 3.58 -1.13 0.14 116.42 122.14 2c4m h ASP 364 Ca 0.20 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2c4m h ASP 364 Cb -0.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2c4m h ASP 364 CO -0.04 1.06 0.16 -0.09 -2.88 0.00 0.00 179.24 177.45 2c4m h ARG 365 N 0.81 0.40 -0.50 0.28 2.43 -0.70 -2.08 114.38 115.04 2c4m h ARG 365 Ca 0.14 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 2c4m h ARG 365 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2c4m h ARG 365 CO 0.04 0.34 -0.02 0.00 -1.51 0.00 0.00 179.97 178.81 2c4m h ARG 366 N 0.36 0.89 -0.47 0.20 3.08 -1.04 -2.89 114.38 114.51 2c4m h ARG 366 Ca 0.10 -0.30 0.08 0.00 0.07 0.00 0.00 59.98 59.93 2c4m h ARG 366 Cb 0.05 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 2c4m h ARG 366 CO -0.02 0.94 0.10 0.35 -1.07 0.00 0.00 179.97 180.27 2c4m h PHE 367 N 0.75 0.17 -0.61 3.04 3.57 -0.77 -0.00 116.94 123.10 2c4m h PHE 367 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2c4m h PHE 367 Cb 0.55 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2c4m h PHE 367 CO 0.04 0.01 0.20 0.00 -2.23 0.00 0.00 178.31 176.33 2c4m h ARG 368 N 0.24 0.94 -0.44 1.11 3.08 -1.31 -0.27 114.38 117.73 2c4m h ARG 368 Ca 0.23 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2c4m h ARG 368 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2c4m h ARG 368 CO -0.29 0.83 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.36 2c4m h LEU 369 N 0.87 0.78 -0.34 3.04 3.38 -1.25 -0.67 115.31 121.11 2c4m h LEU 369 Ca 0.20 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2c4m h LEU 369 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2c4m h LEU 369 CO -0.01 0.91 0.17 -0.33 0.09 0.00 0.00 178.44 179.27 2c4m h GLU 370 N 0.63 0.50 -0.99 1.13 5.08 -0.80 -1.54 114.58 118.58 2c4m h GLU 370 Ca 0.12 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2c4m h GLU 370 Cb 0.52 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2c4m h GLU 370 CO 0.03 0.45 0.65 0.00 -1.00 0.00 0.00 179.01 179.14 2c4m h ARG 371 N 0.42 1.25 -0.11 2.33 2.47 -1.01 0.75 114.38 120.48 2c4m h ARG 371 Ca 0.12 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2c4m h ARG 371 Cb 0.12 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 2c4m h ARG 371 CO -0.01 0.83 -0.14 0.00 0.56 0.00 0.00 179.97 181.20 2c4m h ALA 372 N 1.39 1.57 0.01 0.04 0.00 -0.58 -2.02 119.26 119.67 2c4m h ALA 372 Ca 0.38 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 2c4m h ALA 372 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2c4m h ALA 372 CO -0.11 0.31 -0.91 0.00 0.00 0.00 0.00 179.25 178.55 2c4m h ALA 373 N 1.70 0.46 0.00 0.00 0.00 -0.95 -2.54 119.26 117.93 2c4m h ALA 373 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2c4m h ALA 373 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2c4m h ALA 373 CO 0.02 0.89 0.00 -0.25 0.00 0.00 0.00 179.25 179.91 2c4m n ASP 374 N -3.68 0.38 0.00 0.00 8.00 0.23 -4.85 116.55 116.63 2c4m n ASP 374 Ca -0.05 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.13 2c4m n ASP 374 Cb 0.82 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2c4m n ASP 374 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c4m n GLY 375 N -1.36 0.76 3.78 0.44 0.00 -0.92 -5.07 105.19 102.82 2c4m n GLY 375 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2c4m n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c4m s LEU 376 N 0.00 3.68 0.63 0.99 1.43 -0.83 -5.02 118.68 119.56 2c4m s LEU 376 Ca 0.00 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2c4m s LEU 376 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 2c4m s LEU 376 CO 0.00 -1.23 1.03 1.51 0.23 0.00 0.00 176.35 177.90 2c4m s ASP 377 N -2.02 6.09 0.31 2.29 1.47 -1.26 -4.66 116.67 118.88 2c4m s ASP 377 Ca 0.70 1.47 -0.01 0.00 1.18 0.00 0.00 52.55 55.90 2c4m s ASP 377 Cb -0.22 -2.48 0.50 0.00 -0.34 0.00 0.00 42.92 40.39 2c4m s ASP 377 CO 0.29 -0.97 1.98 -0.08 0.68 0.00 0.00 175.17 177.07 2c4m h GLU 378 N -0.32 1.00 -0.69 2.11 4.81 -1.99 -1.53 114.58 117.97 2c4m h GLU 378 Ca -0.44 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2c4m h GLU 378 Cb 1.19 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2c4m h GLU 378 CO 0.61 0.67 0.30 1.49 -0.73 0.00 0.00 179.01 181.35 2c4m h GLU 379 N 1.03 1.00 -0.22 1.92 4.81 -1.99 0.11 114.58 121.24 2c4m h GLU 379 Ca 0.27 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 59.17 2c4m h GLU 379 Cb -0.10 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.10 2c4m h GLU 379 CO -0.06 0.80 -0.59 1.15 -0.73 0.00 0.00 179.01 179.58 2c4m h THR 380 N 0.99 1.29 -0.65 0.32 2.02 -1.79 -2.64 112.91 112.45 2c4m h THR 380 Ca 0.24 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 2c4m h THR 380 Cb 0.15 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2c4m h THR 380 CO -0.03 0.57 0.35 0.40 0.37 0.00 0.00 175.52 177.18 2c4m h ILE 381 N 0.52 1.21 -0.75 3.11 2.04 -1.00 -1.62 117.51 121.02 2c4m h ILE 381 Ca -0.01 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2c4m h ILE 381 Cb 1.20 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2c4m h ILE 381 CO 0.13 0.23 0.48 0.78 0.00 0.00 0.00 178.15 179.77 2c4m h ASN 382 N 0.89 0.88 0.31 1.72 2.35 -0.76 0.16 115.58 121.13 2c4m h ASN 382 Ca 0.23 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2c4m h ASN 382 Cb 0.06 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2c4m h ASN 382 CO -0.04 0.65 -0.20 -2.11 -1.65 0.00 0.00 177.43 174.09 2c4m n ARG 383 N -4.41 0.74 -0.02 0.81 1.85 -0.98 -3.34 116.66 111.32 2c4m n ARG 383 Ca 0.08 -0.36 0.08 0.00 -1.00 0.00 0.00 57.85 56.65 2c4m n ARG 383 Cb 0.05 -1.49 -0.17 0.00 -1.05 0.00 0.00 32.46 29.80 2c4m n ARG 383 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2c4m n MET 384 N -0.81 0.66 -1.79 2.89 2.81 -0.64 -5.02 117.12 115.22 2c4m n MET 384 Ca 0.13 -0.17 -0.38 0.00 -1.81 0.00 0.00 57.70 55.46 2c4m n MET 384 Cb 0.32 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.36 2c4m n MET 384 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c4m s ALA 385 N -3.37 2.85 0.38 3.04 0.00 0.47 -4.86 121.76 120.27 2c4m s ALA 385 Ca -0.08 1.34 0.14 0.00 0.00 0.00 0.00 51.96 53.36 2c4m s ALA 385 Cb 0.13 -3.57 0.81 0.00 0.00 0.00 0.00 23.12 20.50 2c4m s ALA 385 CO 0.88 -1.35 1.87 -1.35 0.00 0.00 0.00 175.76 175.81 2c4m h PRO 386 N 1.53 0.00 -4.98 0.00 0.11 -1.89 -3.41 132.00 123.36 2c4m h PRO 386 Ca -0.51 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.93 2c4m h PRO 386 Cb 1.30 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.07 2c4m h PRO 386 CO 0.58 0.32 -0.80 0.42 -0.21 0.00 0.00 178.00 178.30 2c4m s ILE 387 N -4.26 2.45 -0.07 4.15 1.01 -1.26 0.13 121.20 123.34 2c4m s ILE 387 Ca -0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 2c4m s ILE 387 Cb 0.14 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.47 2c4m s ILE 387 CO 0.71 0.34 0.18 -1.10 0.00 0.00 0.00 174.94 175.07 2c4m s GLN 388 N 1.29 0.19 -1.50 2.79 -0.21 -0.57 -4.92 119.66 116.73 2c4m s GLN 388 Ca 0.01 0.30 -0.10 0.00 0.02 0.00 0.00 55.36 55.59 2c4m s GLN 388 Cb -0.15 0.03 0.07 0.00 1.00 0.00 0.00 33.01 33.96 2c4m s GLN 388 CO -0.08 -0.06 0.83 1.58 -2.12 0.00 0.00 175.29 175.43 2c4m n HIS 389 N 3.32 -2.06 -1.03 0.91 -0.00 -1.26 -0.88 115.22 114.22 2c4m n HIS 389 Ca -0.16 0.86 -0.01 0.00 0.46 0.00 0.00 57.72 58.86 2c4m n HIS 389 Cb 0.57 -3.88 -0.00 0.00 -0.12 0.00 0.00 29.99 26.56 2c4m n HIS 389 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2c4m n GLY 390 N -1.66 0.38 3.25 1.57 0.00 -1.26 -4.99 105.19 102.47 2c4m n GLY 390 Ca -0.06 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2c4m n GLY 390 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c4m s THR 391 N -1.65 1.76 -0.26 2.61 2.01 -0.06 -1.56 115.64 118.50 2c4m s THR 391 Ca 0.00 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 2c4m s THR 391 Cb 0.00 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2c4m s THR 391 CO 0.00 0.50 0.17 -0.69 -0.69 0.00 0.00 174.62 173.91 2c4m s VAL 392 N -0.51 5.30 -0.68 3.82 1.01 0.24 -1.52 120.40 128.06 2c4m s VAL 392 Ca 0.08 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 2c4m s VAL 392 Cb -0.09 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.90 2c4m s VAL 392 CO -0.01 0.29 0.83 -1.00 0.00 0.00 0.00 175.10 175.21 2c4m s HIS 393 N 1.44 3.03 0.30 5.22 4.02 0.34 -1.33 115.29 128.30 2c4m s HIS 393 Ca 0.07 -1.05 0.00 0.00 1.02 0.00 0.00 55.06 55.10 2c4m s HIS 393 Cb -0.15 -4.09 0.52 0.00 -1.02 0.00 0.00 32.58 27.84 2c4m s HIS 393 CO 0.08 -1.37 1.90 0.52 1.02 0.00 0.00 174.74 176.90 2c4m h MET 394 N 9.07 1.01 0.00 1.40 2.86 -1.67 -1.25 114.93 126.35 2c4m h MET 394 Ca -0.18 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2c4m h MET 394 Cb 1.07 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2c4m h MET 394 CO 1.09 0.67 -0.24 0.00 1.06 0.00 0.00 176.91 179.49 2c4m h ALA 395 N 1.51 1.36 -0.01 6.32 0.00 -1.92 -1.86 119.26 124.66 2c4m h ALA 395 Ca 0.40 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2c4m h ALA 395 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2c4m h ALA 395 CO -0.16 0.30 -0.74 -1.49 0.00 0.00 0.00 179.25 177.16 2c4m h TRP 396 N 0.00 0.09 -0.40 0.00 -0.00 -1.56 -0.23 115.95 113.84 2c4m h TRP 396 Ca -0.00 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.89 58.69 2c4m h TRP 396 Cb 0.50 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 2c4m h TRP 396 CO 0.00 0.78 -0.36 0.82 -0.00 0.00 0.00 178.44 179.68 2c4m h ILE 397 N 0.04 1.27 0.24 1.49 2.04 -1.26 -1.60 117.51 119.73 2c4m h ILE 397 Ca -0.01 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 2c4m h ILE 397 Cb 1.31 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2c4m h ILE 397 CO 0.10 0.52 -0.12 0.00 0.00 0.00 0.00 178.15 178.65 2c4m h ALA 398 N 0.79 -0.32 -0.39 1.87 0.00 -1.18 -0.92 119.26 119.12 2c4m h ALA 398 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2c4m h ALA 398 Cb 0.95 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2c4m h ALA 398 CO 0.09 -0.62 0.20 0.00 0.00 0.00 0.00 179.25 178.92 2c4m h TYR 400 N 0.54 0.41 0.26 0.00 3.20 -1.16 -3.36 116.97 116.86 2c4m h TYR 400 Ca 0.14 -0.14 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 2c4m h TYR 400 Cb 0.05 -0.08 0.04 0.00 1.54 0.00 0.00 36.73 38.28 2c4m h TYR 400 CO 0.00 0.80 -1.50 0.00 -1.64 0.00 0.00 178.16 175.82 2c4m h ALA 401 N 0.54 -0.15 -2.95 1.82 0.00 -0.88 -3.47 119.26 114.16 2c4m h ALA 401 Ca 0.01 -0.88 -0.54 0.00 0.00 0.00 0.00 54.91 53.50 2c4m h ALA 401 Cb 0.76 0.19 0.11 0.00 0.00 0.00 0.00 17.79 18.86 2c4m h ALA 401 CO 0.04 0.71 0.74 0.00 0.00 0.00 0.00 179.25 180.74 2c4m s ALA 402 N -2.60 3.44 -0.79 0.00 0.00 0.47 -4.25 121.76 118.04 2c4m s ALA 402 Ca -0.09 1.51 0.25 0.00 0.00 0.00 0.00 51.96 53.62 2c4m s ALA 402 Cb 0.04 -3.59 0.43 0.00 0.00 0.00 0.00 23.12 20.00 2c4m s ALA 402 CO 0.94 -1.07 1.37 2.48 0.00 0.00 0.00 175.76 179.48 2c4m n TYR 403 N 0.23 0.31 -3.81 0.00 0.18 -0.43 -4.83 117.16 108.82 2c4m n TYR 403 Ca 0.02 0.09 -0.13 0.00 1.88 0.00 0.00 57.90 59.76 2c4m n TYR 403 Cb 0.40 -0.49 -0.14 0.00 -0.38 0.00 0.00 39.34 38.73 2c4m n TYR 403 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2c4m s SER 404 N -3.70 -0.03 -0.16 9.48 0.15 -1.26 -4.53 113.70 113.66 2c4m s SER 404 Ca 0.08 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 2c4m s SER 404 Cb 0.15 0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2c4m s SER 404 CO 0.71 -0.08 -0.01 -0.63 1.20 0.00 0.00 173.24 174.43 2c4m s ILE 405 N 0.56 0.75 0.12 6.45 1.01 -0.06 -0.09 121.20 129.94 2c4m s ILE 405 Ca -0.04 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.23 2c4m s ILE 405 Cb -0.06 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2c4m s ILE 405 CO -0.02 0.02 -0.22 0.54 0.00 0.00 0.00 174.94 175.26 2c4m s ASN 406 N 1.78 2.79 0.69 3.58 4.22 -0.64 -1.07 114.94 126.28 2c4m s ASN 406 Ca 0.01 -0.72 0.01 0.00 -2.14 0.00 0.00 52.86 50.01 2c4m s ASN 406 Cb -0.15 -0.17 0.11 0.00 1.28 0.00 0.00 41.25 42.32 2c4m s ASN 406 CO -0.07 0.08 0.95 -0.83 -2.04 0.00 0.00 177.10 175.19 2c4m s GLY 407 N -2.04 1.76 -0.10 0.45 0.00 -0.68 -1.04 107.32 105.67 2c4m s GLY 407 Ca 0.10 -1.74 0.15 0.00 0.00 0.00 0.00 44.72 43.22 2c4m s GLY 407 CO 0.05 -1.22 1.13 3.33 0.00 0.00 0.00 173.10 176.39 2c4m n VAL 408 N -2.71 1.70 -3.64 1.40 0.24 -1.26 -1.82 118.33 112.24 2c4m n VAL 408 Ca 0.14 -1.97 -0.02 0.00 -2.04 0.00 0.00 64.34 60.46 2c4m n VAL 408 Cb 0.61 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 2c4m n VAL 408 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c4m s ALA 409 N -2.44 -2.14 0.15 2.33 0.00 -1.26 -2.17 121.76 116.23 2c4m s ALA 409 Ca 0.25 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 53.86 2c4m s ALA 409 Cb 0.22 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 22.15 2c4m s ALA 409 CO 0.03 -0.32 1.62 0.00 0.00 0.00 0.00 175.76 177.08 2c4m h ALA 410 N 2.04 -0.19 -0.30 0.00 0.00 -1.95 0.56 119.26 119.42 2c4m h ALA 410 Ca -0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c4m h ALA 410 Cb 1.17 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2c4m h ALA 410 CO 0.21 -0.71 0.17 -0.07 0.00 0.00 0.00 179.25 178.86 2c4m h LEU 411 N -0.28 0.37 -1.02 0.00 3.38 -1.97 -2.41 115.31 113.37 2c4m h LEU 411 Ca 0.14 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2c4m h LEU 411 Cb 0.50 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2c4m h LEU 411 CO -0.41 0.34 0.11 -0.74 0.09 0.00 0.00 178.44 177.82 2c4m h HIS 412 N 0.38 0.84 -0.35 1.13 2.76 -1.47 -1.97 115.15 116.46 2c4m h HIS 412 Ca 0.11 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2c4m h HIS 412 Cb 0.04 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2c4m h HIS 412 CO -0.04 0.72 -0.02 1.15 -1.30 0.00 0.00 177.93 178.44 2c4m h THR 413 N 0.78 1.21 -0.20 6.26 2.02 0.20 -2.53 112.91 120.66 2c4m h THR 413 Ca 0.17 -0.85 -0.15 0.00 0.77 0.00 0.00 66.41 66.36 2c4m h THR 413 Cb 0.32 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2c4m h THR 413 CO 0.00 0.29 -0.49 -0.33 0.37 0.00 0.00 175.52 175.36 2c4m h GLU 414 N 0.53 0.53 -0.64 6.66 4.39 -0.88 -2.62 114.58 122.55 2c4m h GLU 414 Ca 0.11 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.41 2c4m h GLU 414 Cb 0.37 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2c4m h GLU 414 CO 0.01 0.90 0.04 0.82 -1.16 0.00 0.00 179.01 179.62 2c4m h ILE 415 N 0.42 1.27 -0.14 3.13 2.04 -1.12 -0.70 117.51 122.41 2c4m h ILE 415 Ca 0.02 -1.12 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 2c4m h ILE 415 Cb 1.00 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2c4m h ILE 415 CO 0.09 0.41 -0.39 0.16 0.00 0.00 0.00 178.15 178.43 2c4m h ILE 416 N 1.01 1.30 -0.44 -0.67 3.07 -1.35 0.71 117.51 121.14 2c4m h ILE 416 Ca 0.19 -1.48 -0.01 0.00 1.55 0.00 0.00 64.86 65.10 2c4m h ILE 416 Cb 0.52 1.63 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 2c4m h ILE 416 CO 0.02 0.45 0.23 0.11 -1.05 0.00 0.00 178.15 177.92 2c4m h LYS 417 N 0.25 0.63 0.00 0.16 1.57 -1.22 0.22 116.57 118.18 2c4m h LYS 417 Ca 0.03 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2c4m h LYS 417 Cb 0.80 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2c4m h LYS 417 CO 0.06 0.51 -1.12 0.00 -0.57 0.00 0.00 179.45 178.34 2c4m h ALA 418 N 1.08 0.59 -3.00 3.86 0.00 -0.48 -3.30 119.26 118.01 2c4m h ALA 418 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2c4m h ALA 418 Cb 0.08 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2c4m h ALA 418 CO -0.02 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.05 2c4m n GLU 419 N -2.81 0.00 -0.32 0.00 1.02 0.24 -4.70 120.64 114.06 2c4m n GLU 419 Ca -0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.05 2c4m n GLU 419 Cb 0.68 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.08 2c4m n GLU 419 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2c4m n THR 420 N -0.49 -0.48 -1.52 2.62 -1.04 -1.18 -1.35 114.28 110.83 2c4m n THR 420 Ca 0.00 1.92 -0.04 0.00 -2.04 0.00 0.00 64.05 63.89 2c4m n THR 420 Cb 0.00 -2.46 0.19 0.00 -1.82 0.00 0.00 70.33 66.24 2c4m n THR 420 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2c4m n LEU 421 N -5.10 3.93 -0.31 -4.42 4.77 0.78 -4.83 117.00 111.81 2c4m n LEU 421 Ca 0.05 -3.89 0.12 0.00 -0.03 0.00 0.00 56.01 52.26 2c4m n LEU 421 Cb 0.27 -0.61 0.30 0.00 -2.33 0.00 0.00 43.42 41.05 2c4m n LEU 421 CO -0.12 1.36 1.10 0.00 -1.33 0.00 0.00 177.39 178.40 2c4m h ALA 422 N 1.08 1.47 -0.01 -1.18 0.00 -1.16 -0.33 119.26 119.14 2c4m h ALA 422 Ca 0.19 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2c4m h ALA 422 Cb 1.49 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2c4m h ALA 422 CO 0.35 -0.22 -0.39 -0.44 0.00 0.00 0.00 179.25 178.54 2c4m h ASP 423 N 0.54 0.01 -0.00 0.00 3.32 -1.87 -1.33 116.42 117.09 2c4m h ASP 423 Ca 0.55 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.39 2c4m h ASP 423 Cb 0.94 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.50 2c4m h ASP 423 CO -0.45 0.40 -0.78 -0.50 -1.72 0.00 0.00 179.24 176.20 2c4m h TRP 424 N 0.01 0.79 0.00 4.55 4.06 -1.49 -2.71 115.95 121.16 2c4m h TRP 424 Ca -0.00 -0.43 -0.05 0.00 2.06 0.00 0.00 58.89 60.47 2c4m h TRP 424 Cb 0.70 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 2c4m h TRP 424 CO 0.00 1.25 -0.25 -0.92 -3.56 0.00 0.00 178.44 174.96 2c4m h TYR 425 N 0.10 0.00 -0.23 0.49 3.20 -1.15 0.26 116.97 119.64 2c4m h TYR 425 Ca -0.10 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.61 2c4m h TYR 425 Cb 1.46 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.73 2c4m h TYR 425 CO 0.13 0.25 -0.54 0.00 -1.64 0.00 0.00 178.16 176.37 2c4m h ALA 426 N 1.75 0.63 0.10 1.82 0.00 -1.19 -2.49 119.26 119.88 2c4m h ALA 426 Ca -0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2c4m h ALA 426 Cb 0.49 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2c4m h ALA 426 CO 0.03 0.68 -0.60 -0.07 0.00 0.00 0.00 179.25 179.30 2c4m h LEU 427 N 0.51 0.34 -5.97 0.00 3.38 -1.12 -3.42 115.31 109.03 2c4m h LEU 427 Ca 0.01 -0.96 -0.57 0.00 0.09 0.00 0.00 57.88 56.45 2c4m h LEU 427 Cb 1.10 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 41.33 2c4m h LEU 427 CO 0.11 1.29 -0.89 0.79 0.09 0.00 0.00 178.44 179.83 2c4m n TRP 428 N -4.26 1.65 -0.32 1.13 8.01 0.87 -4.92 117.44 119.59 2c4m n TRP 428 Ca -0.13 -3.86 0.19 0.00 -1.31 0.00 0.00 57.50 52.39 2c4m n TRP 428 Cb 0.73 -0.45 0.44 0.00 -2.01 0.00 0.00 31.31 30.02 2c4m n TRP 428 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2c4m h PRO 429 N 3.77 0.51 0.00 -0.99 0.13 -1.62 -1.98 132.00 131.82 2c4m h PRO 429 Ca 0.13 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2c4m h PRO 429 Cb 0.77 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2c4m h PRO 429 CO 0.64 0.34 -0.07 1.05 -0.23 0.00 0.00 178.00 179.73 2c4m h GLU 430 N 0.53 0.00 0.00 0.86 9.09 -1.91 -2.16 114.58 120.98 2c4m h GLU 430 Ca 0.58 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.89 2c4m h GLU 430 Cb 1.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.33 2c4m h GLU 430 CO -0.33 0.07 -0.50 0.87 0.05 0.00 0.00 179.01 179.16 2c4m h LYS 431 N 0.00 0.00 -6.51 1.06 1.57 -1.59 -3.45 116.57 107.64 2c4m h LYS 431 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2c4m h LYS 431 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2c4m h LYS 431 CO 0.01 0.50 0.45 -0.06 -0.57 0.00 0.00 179.45 179.78 2c4m s PHE 432 N -3.72 3.60 0.29 -1.35 0.40 -0.82 -0.88 117.98 115.50 2c4m s PHE 432 Ca -0.01 1.57 -0.13 0.00 -0.60 0.00 0.00 56.93 57.77 2c4m s PHE 432 Cb 0.13 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.43 2c4m s PHE 432 CO 0.73 -0.49 0.56 0.54 0.70 0.00 0.00 175.22 177.26 2c4m s ASN 433 N 0.61 0.09 -0.01 1.36 2.20 -0.23 -4.94 114.94 114.02 2c4m s ASN 433 Ca 0.53 -1.02 0.04 0.00 -0.94 0.00 0.00 52.86 51.47 2c4m s ASN 433 Cb -0.26 0.66 -0.03 0.00 -2.00 0.00 0.00 41.25 39.62 2c4m s ASN 433 CO 0.30 -1.29 -0.12 0.21 -2.94 0.00 0.00 177.10 173.27 2c4m s ASN 434 N -3.05 4.25 -0.32 3.54 2.47 -1.26 -1.69 114.94 118.87 2c4m s ASN 434 Ca 0.21 -0.22 -0.01 0.00 0.42 0.00 0.00 52.86 53.26 2c4m s ASN 434 Cb -0.02 -0.90 0.13 0.00 -1.45 0.00 0.00 41.25 39.00 2c4m s ASN 434 CO 0.11 0.30 0.21 -0.54 -3.72 0.00 0.00 177.10 173.46 2c4m s LYS 435 N -1.19 0.40 0.16 0.43 -0.14 -0.75 -4.93 119.74 113.72 2c4m s LYS 435 Ca 0.15 -0.85 -0.32 0.00 -1.36 0.00 0.00 55.97 53.59 2c4m s LYS 435 Cb -0.11 -1.11 -0.10 0.00 -1.68 0.00 0.00 37.83 34.83 2c4m s LYS 435 CO 0.05 -1.12 1.65 0.99 -0.76 0.00 0.00 175.35 176.15 2c4m s THR 436 N 1.63 2.49 0.99 2.17 2.01 -1.26 -4.15 115.64 119.51 2c4m s THR 436 Ca 0.14 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 2c4m s THR 436 Cb -0.19 -3.18 0.09 0.00 0.01 0.00 0.00 72.50 69.23 2c4m s THR 436 CO -0.17 0.02 0.56 0.59 -0.69 0.00 0.00 174.62 174.93 2c4m n ASN 437 N 4.34 -1.56 -3.55 3.53 3.02 -0.92 -4.63 115.26 115.49 2c4m n ASN 437 Ca 0.15 0.24 -0.03 0.00 -0.03 0.00 0.00 54.58 54.91 2c4m n ASN 437 Cb 0.38 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2c4m n ASN 437 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2c4m s GLY 438 N -2.16 -0.08 0.30 7.41 0.00 -1.26 -4.84 107.32 106.69 2c4m s GLY 438 Ca 0.60 -0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.30 2c4m s GLY 438 CO 0.65 1.08 0.01 -1.34 0.00 0.00 0.00 173.10 173.49 2c4m s VAL 439 N -2.71 1.40 -0.18 1.40 -7.23 0.46 -4.50 120.40 109.04 2c4m s VAL 439 Ca 0.17 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 2c4m s VAL 439 Cb -0.02 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2c4m s VAL 439 CO 0.03 -0.14 0.39 0.28 -0.31 0.00 0.00 175.10 175.35 2c4m s THR 440 N -3.16 5.22 -0.21 5.32 -1.32 -1.26 0.05 115.64 120.27 2c4m s THR 440 Ca 0.33 0.72 0.26 0.00 -1.21 0.00 0.00 61.69 61.79 2c4m s THR 440 Cb 0.07 -3.73 0.27 0.00 -1.51 0.00 0.00 72.50 67.60 2c4m s THR 440 CO 0.14 0.29 1.78 1.55 -2.21 0.00 0.00 174.62 176.17 2c4m h PRO 441 N 7.11 0.00 0.00 7.08 0.13 -1.95 -2.54 132.00 141.83 2c4m h PRO 441 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2c4m h PRO 441 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2c4m h PRO 441 CO 0.73 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.04 2c4m n ARG 442 N -2.41 0.00 -0.37 0.86 3.00 -1.26 -1.38 116.66 115.10 2c4m n ARG 442 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.85 58.20 2c4m n ARG 442 Cb 0.15 -1.04 0.15 0.00 0.00 0.00 0.00 32.46 31.72 2c4m n ARG 442 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2c4m h ARG 443 N 0.00 1.23 -0.02 5.56 2.43 -1.96 0.19 114.38 121.81 2c4m h ARG 443 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2c4m h ARG 443 Cb 0.00 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 2c4m h ARG 443 CO 0.00 0.81 -0.02 0.91 -1.51 0.00 0.00 179.97 180.17 2c4m n TRP 444 N -4.44 0.00 0.08 2.20 7.02 -0.96 -3.60 117.44 117.75 2c4m n TRP 444 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 2c4m n TRP 444 Cb 0.09 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 2c4m n TRP 444 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2c4m n LEU 445 N 0.30 -0.02 -0.12 -0.99 7.94 -1.06 -4.79 117.00 118.25 2c4m n LEU 445 Ca 0.18 0.27 -0.11 0.00 -1.11 0.00 0.00 56.01 55.24 2c4m n LEU 445 Cb 0.39 0.20 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 2c4m n LEU 445 CO 0.17 -0.67 0.75 -0.09 -1.11 0.00 0.00 177.39 176.44 2c4m h ARG 446 N 0.00 0.66 -0.26 1.96 9.65 -0.66 0.22 114.38 125.95 2c4m h ARG 446 Ca 0.00 -0.23 -0.18 0.00 -1.10 0.00 0.00 59.98 58.47 2c4m h ARG 446 Cb 0.00 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2c4m h ARG 446 CO 0.00 0.79 -0.56 1.98 2.80 0.00 0.00 179.97 184.98 2c4m h MET 447 N 0.46 0.81 0.00 0.20 4.05 -0.82 -3.35 114.93 116.28 2c4m h MET 447 Ca 0.10 -0.52 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 2c4m h MET 447 Cb 0.51 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 2c4m h MET 447 CO 0.03 1.15 -1.07 0.44 0.23 0.00 0.00 176.91 177.68 2c4m n ILE 448 N -3.99 0.11 -3.30 1.77 -5.35 -1.20 -4.65 119.36 102.75 2c4m n ILE 448 Ca -0.04 -0.21 -0.25 0.00 -0.27 0.00 0.00 62.75 61.98 2c4m n ILE 448 Cb 0.63 0.34 -0.08 0.00 -1.74 0.00 0.00 39.64 38.79 2c4m n ILE 448 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2c4m n ASN 449 N -1.88 1.02 -0.02 7.28 2.85 0.77 -4.83 115.26 120.45 2c4m n ASN 449 Ca 0.02 -2.84 -0.00 0.00 -0.11 0.00 0.00 54.58 51.65 2c4m n ASN 449 Cb 0.42 -0.64 0.29 0.00 1.24 0.00 0.00 39.78 41.09 2c4m n ASN 449 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2c4m h PRO 450 N 4.33 0.58 -0.14 1.20 0.13 -1.75 0.14 132.00 136.49 2c4m h PRO 450 Ca 0.13 -0.12 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 2c4m h PRO 450 Cb 0.83 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.81 2c4m h PRO 450 CO 0.54 0.58 -0.25 0.78 -0.23 0.00 0.00 178.00 179.42 2c4m h GLY 451 N 0.84 -0.28 1.08 1.56 0.00 -1.94 0.19 103.07 104.53 2c4m h GLY 451 Ca 0.12 0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.62 2c4m h GLY 451 CO 0.01 -0.20 -0.35 -2.00 0.00 0.00 0.00 176.54 173.99 2c4m h LEU 452 N -0.32 0.93 -0.52 3.11 5.85 -1.84 -3.04 115.31 119.49 2c4m h LEU 452 Ca 0.10 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.44 2c4m h LEU 452 Cb 0.47 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2c4m h LEU 452 CO -0.32 1.21 0.14 0.28 -0.34 0.00 0.00 178.44 179.40 2c4m h SER 453 N 0.68 0.08 0.02 1.25 0.02 -0.48 -0.84 113.55 114.28 2c4m h SER 453 Ca 0.06 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2c4m h SER 453 Cb 0.94 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 2c4m h SER 453 CO 0.09 0.07 -0.35 0.44 -1.14 0.00 0.00 176.83 175.93 2c4m h ASP 454 N 0.29 -1.05 -0.75 3.07 3.32 -0.56 0.57 116.42 121.32 2c4m h ASP 454 Ca 0.26 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.51 2c4m h ASP 454 Cb 0.33 0.41 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 2c4m h ASP 454 CO -0.30 -0.41 0.42 0.25 -1.72 0.00 0.00 179.24 177.48 2c4m h LEU 455 N -0.52 0.63 -1.57 1.55 5.85 -1.32 0.23 115.31 120.15 2c4m h LEU 455 Ca 0.05 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2c4m h LEU 455 Cb 0.59 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2c4m h LEU 455 CO -0.27 0.39 0.03 -0.07 -0.34 0.00 0.00 178.44 178.18 2c4m h LEU 456 N 0.76 0.27 0.22 2.25 3.38 -0.63 -1.07 115.31 120.48 2c4m h LEU 456 Ca 0.34 -0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.96 2c4m h LEU 456 Cb 0.24 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 40.95 2c4m h LEU 456 CO -0.21 0.31 -1.41 0.74 0.09 0.00 0.00 178.44 177.96 2c4m h THR 457 N 0.30 1.36 -0.23 0.22 2.02 0.14 -2.34 112.91 114.38 2c4m h THR 457 Ca 0.07 -2.82 -0.01 0.00 0.77 0.00 0.00 66.41 64.42 2c4m h THR 457 Cb 0.16 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 2c4m h THR 457 CO 0.00 0.84 0.11 -0.09 0.37 0.00 0.00 175.52 176.75 2c4m h ARG 458 N 0.12 0.32 -0.37 6.66 2.43 -0.49 -1.02 114.38 122.04 2c4m h ARG 458 Ca -0.22 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 2c4m h ARG 458 Cb 2.11 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.58 2c4m h ARG 458 CO 0.25 0.33 0.08 -0.07 -1.51 0.00 0.00 179.97 179.06 2c4m h LEU 459 N 0.24 0.57 0.00 3.80 3.38 -1.24 -3.06 115.31 119.00 2c4m h LEU 459 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2c4m h LEU 459 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2c4m h LEU 459 CO -0.01 0.66 -0.62 0.77 0.09 0.00 0.00 178.44 179.34 2c4m h SER 460 N 0.46 0.00 0.00 -0.43 4.64 -1.45 -3.48 113.55 113.29 2c4m h SER 460 Ca 0.12 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2c4m h SER 460 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2c4m h SER 460 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 2c4m n GLY 461 N 1.23 0.52 3.84 -0.77 0.00 -0.41 -5.01 105.19 104.58 2c4m n GLY 461 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 2c4m n GLY 461 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c4m s SER 462 N -2.97 -0.04 -0.30 1.61 1.04 -1.06 -5.00 113.70 106.97 2c4m s SER 462 Ca 0.00 -0.44 0.11 0.00 0.48 0.00 0.00 55.95 56.10 2c4m s SER 462 Cb 0.00 0.37 0.72 0.00 0.10 0.00 0.00 66.02 67.21 2c4m s SER 462 CO 0.00 -0.72 1.74 -0.90 0.98 0.00 0.00 173.24 174.34 2c4m n ASP 463 N -0.93 4.64 0.21 7.02 5.75 -1.26 -4.46 116.55 127.52 2c4m n ASP 463 Ca -0.03 -3.23 0.18 0.00 -0.01 0.00 0.00 54.79 51.70 2c4m n ASP 463 Cb 0.60 -0.71 0.84 0.00 -1.03 0.00 0.00 41.12 40.82 2c4m n ASP 463 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2c4m h ASP 464 N 2.55 0.00 0.32 -1.12 5.19 -1.96 -1.34 116.42 120.06 2c4m h ASP 464 Ca 0.22 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2c4m h ASP 464 Cb 2.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.68 2c4m h ASP 464 CO 0.65 0.00 -0.24 4.11 -3.12 0.00 0.00 179.24 180.63 2c4m h TRP 465 N 0.00 0.00 -0.80 4.55 5.08 -1.78 -2.68 115.95 120.32 2c4m h TRP 465 Ca 0.09 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.20 2c4m h TRP 465 Cb 0.64 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.74 2c4m h TRP 465 CO 0.00 0.24 0.53 0.28 -1.28 0.00 0.00 178.44 178.21 2c4m h VAL 466 N 0.00 0.81 -0.16 0.12 2.07 -1.60 -1.71 116.25 115.78 2c4m h VAL 466 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2c4m h VAL 466 Cb 0.47 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2c4m h VAL 466 CO 0.03 0.09 0.00 0.35 0.02 0.00 0.00 177.57 178.07 2c4m n THR 467 N -4.51 2.11 -2.72 2.57 -2.24 -1.08 -4.49 114.28 103.92 2c4m n THR 467 Ca 0.15 -2.00 -0.06 0.00 -2.27 0.00 0.00 64.05 59.87 2c4m n THR 467 Cb 0.50 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.56 2c4m n THR 467 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2c4m n ASP 468 N -0.83 -2.32 0.31 3.42 -0.08 -0.68 -5.04 116.55 111.34 2c4m n ASP 468 Ca 0.19 -2.68 0.17 0.00 -1.51 0.00 0.00 54.79 50.96 2c4m n ASP 468 Cb 0.79 1.40 0.93 0.00 2.34 0.00 0.00 41.12 46.58 2c4m n ASP 468 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2c4m h LEU 469 N 3.75 0.00 -2.27 -2.67 5.85 -1.73 -1.15 115.31 117.09 2c4m h LEU 469 Ca -0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2c4m h LEU 469 Cb 1.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2c4m h LEU 469 CO 0.12 0.00 -0.05 0.44 -0.34 0.00 0.00 178.44 178.61 2c4m h ASP 470 N 0.00 0.00 -0.15 1.25 3.32 -1.87 -1.71 116.42 117.26 2c4m h ASP 470 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 2c4m h ASP 470 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2c4m h ASP 470 CO 0.00 0.05 0.28 -0.33 -1.72 0.00 0.00 179.24 177.52 2c4m h GLU 471 N 0.00 0.00 0.00 3.56 4.39 -1.55 -0.23 114.58 120.75 2c4m h GLU 471 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2c4m h GLU 471 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2c4m h GLU 471 CO 0.01 0.00 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.46 2c4m h LEU 472 N 0.00 0.00 -1.67 1.33 4.07 -1.54 -2.86 115.31 114.65 2c4m h LEU 472 Ca 0.07 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.23 2c4m h LEU 472 Cb 0.63 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.32 2c4m h LEU 472 CO -0.00 0.32 0.57 0.11 -1.08 0.00 0.00 178.44 178.36 2c4m h LYS 473 N 0.00 0.28 0.00 1.13 6.56 -0.68 0.24 116.57 124.10 2c4m h LYS 473 Ca -0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2c4m h LYS 473 Cb 0.85 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2c4m h LYS 473 CO 0.04 0.18 0.00 0.87 -2.06 0.00 0.00 179.45 178.49 2c4m h LYS 474 N 0.29 0.00 -0.27 3.15 1.57 -1.68 -1.61 116.57 118.02 2c4m h LYS 474 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2c4m h LYS 474 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2c4m h LYS 474 CO -0.12 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.04 2c4m n LEU 475 N -2.45 3.12 0.23 2.94 4.77 0.84 -4.30 117.00 122.16 2c4m n LEU 475 Ca -0.02 -1.26 0.16 0.00 -0.03 0.00 0.00 56.01 54.86 2c4m n LEU 475 Cb 0.04 -0.17 0.70 0.00 -2.33 0.00 0.00 43.42 41.67 2c4m n LEU 475 CO 0.12 0.63 0.96 -0.09 -1.33 0.00 0.00 177.39 177.68 2c4m h ARG 476 N 4.27 0.00 -0.85 3.23 2.43 -1.38 -2.47 114.38 119.61 2c4m h ARG 476 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2c4m h ARG 476 Cb 0.93 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 2c4m h ARG 476 CO 0.00 0.00 0.56 0.77 -1.51 0.00 0.00 179.97 179.79 2c4m h SER 477 N 0.00 0.93 0.10 -3.80 0.02 -1.81 0.13 113.55 109.13 2c4m h SER 477 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2c4m h SER 477 Cb 0.32 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2c4m h SER 477 CO 0.00 0.66 0.00 -1.22 -1.14 0.00 0.00 176.83 175.13 2c4m n TYR 478 N -4.43 0.00 0.14 3.45 4.01 -0.93 -3.09 117.16 116.31 2c4m n TYR 478 Ca 0.10 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.04 2c4m n TYR 478 Cb 0.07 -0.23 0.76 0.00 -0.31 0.00 0.00 39.34 39.62 2c4m n TYR 478 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4m h ALA 479 N 2.33 1.96 -0.00 -0.72 0.00 -1.12 0.12 119.26 121.83 2c4m h ALA 479 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c4m h ALA 479 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2c4m h ALA 479 CO 0.00 -0.59 -0.85 -0.25 0.00 0.00 0.00 179.25 177.56 2c4m n ASP 480 N -3.55 1.14 -4.62 0.00 8.00 -1.18 -4.85 116.55 111.49 2c4m n ASP 480 Ca 0.05 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 54.06 2c4m n ASP 480 Cb 0.57 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.55 2c4m n ASP 480 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2c4m s ASP 481 N -2.79 6.38 0.21 -2.24 -1.08 0.43 -4.87 116.67 112.70 2c4m s ASP 481 Ca 0.09 1.32 0.01 0.00 -0.52 0.00 0.00 52.55 53.46 2c4m s ASP 481 Cb 0.16 -2.53 0.16 0.00 -1.46 0.00 0.00 42.92 39.24 2c4m s ASP 481 CO 0.77 -1.31 1.51 0.50 0.52 0.00 0.00 175.17 177.16 2c4m h LYS 482 N 10.66 0.34 -0.58 4.34 3.64 -1.90 -1.99 116.57 131.08 2c4m h LYS 482 Ca -0.31 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 58.77 2c4m h LYS 482 Cb 1.13 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2c4m h LYS 482 CO 1.03 0.87 0.12 0.66 -2.27 0.00 0.00 179.45 179.86 2c4m h SER 483 N 0.25 0.86 -0.38 4.20 4.64 -1.95 -1.37 113.55 119.79 2c4m h SER 483 Ca -0.01 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.05 2c4m h SER 483 Cb 1.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2c4m h SER 483 CO 0.11 0.85 -0.08 0.58 -0.87 0.00 0.00 176.83 177.42 2c4m h VAL 484 N 0.87 1.27 -0.81 0.95 2.07 -1.80 -1.94 116.25 116.87 2c4m h VAL 484 Ca 0.18 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.64 2c4m h VAL 484 Cb 0.35 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2c4m h VAL 484 CO 0.00 0.38 0.46 -0.07 0.02 0.00 0.00 177.57 178.37 2c4m h LEU 485 N 0.52 0.68 -0.85 2.57 3.38 -1.16 -0.34 115.31 120.11 2c4m h LEU 485 Ca 0.10 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2c4m h LEU 485 Cb 0.59 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2c4m h LEU 485 CO 0.04 0.40 0.39 -0.33 0.09 0.00 0.00 178.44 179.02 2c4m h GLU 486 N 0.80 1.22 -0.68 1.13 4.39 -1.10 -1.18 114.58 119.17 2c4m h GLU 486 Ca 0.38 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 2c4m h GLU 486 Cb 0.31 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2c4m h GLU 486 CO -0.23 0.95 0.42 0.93 -1.16 0.00 0.00 179.01 179.92 2c4m h GLU 487 N 1.21 0.92 -0.55 2.33 5.08 -0.39 -1.73 114.58 121.44 2c4m h GLU 487 Ca 0.29 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2c4m h GLU 487 Cb 0.14 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2c4m h GLU 487 CO -0.03 0.64 0.07 1.25 -1.00 0.00 0.00 179.01 179.94 2c4m h LEU 488 N 0.92 0.85 -1.25 1.33 5.85 -0.78 0.77 115.31 123.00 2c4m h LEU 488 Ca 0.24 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2c4m h LEU 488 Cb -0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2c4m h LEU 488 CO -0.05 0.87 0.05 0.03 -0.34 0.00 0.00 178.44 179.00 2c4m h ARG 489 N 0.84 0.57 -0.01 1.25 3.08 -0.81 -1.47 114.38 117.84 2c4m h ARG 489 Ca 0.17 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2c4m h ARG 489 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2c4m h ARG 489 CO 0.01 0.56 -0.76 0.00 -1.07 0.00 0.00 179.97 178.71 2c4m h ALA 490 N 1.51 0.73 -0.09 0.04 0.00 -0.58 -1.79 119.26 119.08 2c4m h ALA 490 Ca 0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2c4m h ALA 490 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2c4m h ALA 490 CO 0.00 0.90 -0.04 0.82 0.00 0.00 0.00 179.25 180.93 2c4m h ILE 491 N 0.05 1.32 -0.76 0.00 2.04 -0.41 -1.28 117.51 118.46 2c4m h ILE 491 Ca -0.02 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2c4m h ILE 491 Cb 1.33 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 2c4m h ILE 491 CO 0.10 0.29 0.49 0.50 0.00 0.00 0.00 178.15 179.53 2c4m h LYS 492 N -0.18 0.92 -0.57 2.37 1.63 -1.24 -1.06 116.57 118.44 2c4m h LYS 492 Ca 0.02 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 2c4m h LYS 492 Cb 0.49 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2c4m h LYS 492 CO 0.01 0.61 0.14 0.00 -3.45 0.00 0.00 179.45 176.76 2c4m h ALA 493 N 1.32 0.75 -0.65 5.00 0.00 -1.28 -0.31 119.26 124.10 2c4m h ALA 493 Ca 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2c4m h ALA 493 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2c4m h ALA 493 CO -0.11 0.46 0.30 0.00 0.00 0.00 0.00 179.25 179.89 2c4m h ALA 494 N 1.02 1.31 -0.31 0.00 0.00 -0.57 0.20 119.26 120.92 2c4m h ALA 494 Ca 0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2c4m h ALA 494 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2c4m h ALA 494 CO 0.00 0.53 -0.21 -0.91 0.00 0.00 0.00 179.25 178.67 2c4m h ASN 495 N 0.92 0.58 0.32 0.00 2.35 -0.84 -1.69 115.58 117.21 2c4m h ASN 495 Ca 0.22 -0.19 -0.21 0.00 -0.55 0.00 0.00 56.30 55.58 2c4m h ASN 495 Cb 0.11 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 2c4m h ASN 495 CO -0.03 0.79 -0.85 0.11 -1.65 0.00 0.00 177.43 175.80 2c4m h LYS 496 N 0.52 0.39 -0.86 0.81 1.57 0.05 -0.23 116.57 118.83 2c4m h LYS 496 Ca 0.08 -0.38 0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2c4m h LYS 496 Cb 0.65 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 2c4m h LYS 496 CO 0.05 1.04 0.55 0.37 -0.57 0.00 0.00 179.45 180.89 2c4m h GLN 497 N 0.24 1.03 -0.30 3.15 5.75 -0.48 -0.34 115.11 124.15 2c4m h GLN 497 Ca -0.06 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 2c4m h GLN 497 Cb 1.47 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 2c4m h GLN 497 CO 0.15 0.68 0.04 -0.44 -2.65 0.00 0.00 178.83 176.60 2c4m h ASP 498 N 1.06 0.49 -0.76 -0.69 5.19 -1.07 -2.70 116.42 117.95 2c4m h ASP 498 Ca 0.35 -0.27 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2c4m h ASP 498 Cb 0.03 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 2c4m h ASP 498 CO -0.13 0.64 0.50 0.15 -3.12 0.00 0.00 179.24 177.29 2c4m h PHE 499 N 0.33 0.96 -0.31 4.55 3.57 -0.67 -0.50 116.94 124.87 2c4m h PHE 499 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2c4m h PHE 499 Cb 0.37 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2c4m h PHE 499 CO 0.03 0.61 0.20 0.00 -2.23 0.00 0.00 178.31 176.91 2c4m h ALA 500 N 1.27 1.78 -0.18 2.41 0.00 -0.95 0.99 119.26 124.58 2c4m h ALA 500 Ca 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2c4m h ALA 500 Cb -0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2c4m h ALA 500 CO -0.06 0.20 -0.19 0.93 0.00 0.00 0.00 179.25 180.14 2c4m h GLU 501 N 0.42 0.45 0.14 0.00 5.08 -0.95 -2.08 114.58 117.64 2c4m h GLU 501 Ca 0.11 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2c4m h GLU 501 Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2c4m h GLU 501 CO -0.02 0.81 -0.16 2.35 -1.00 0.00 0.00 179.01 180.99 2c4m h TRP 502 N 0.11 -0.42 0.00 4.33 7.01 -0.58 -1.31 115.95 125.09 2c4m h TRP 502 Ca 0.03 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 2c4m h TRP 502 Cb 0.73 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2c4m h TRP 502 CO 0.08 -0.24 -0.34 0.97 -2.79 0.00 0.00 178.44 176.12 2c4m h ILE 503 N -0.34 1.20 -0.06 2.65 6.09 -0.88 -0.55 117.51 125.62 2c4m h ILE 503 Ca 0.01 -1.17 -0.01 0.00 -1.37 0.00 0.00 64.86 62.32 2c4m h ILE 503 Cb 0.33 1.64 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 2c4m h ILE 503 CO -0.06 0.33 0.00 0.25 -3.07 0.00 0.00 178.15 175.60 2c4m h LEU 504 N 0.00 0.11 -1.69 2.19 5.85 -1.18 -1.58 115.31 119.00 2c4m h LEU 504 Ca -0.00 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2c4m h LEU 504 Cb 0.61 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2c4m h LEU 504 CO 0.04 0.38 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.26 2c4m h GLU 505 N -0.17 0.00 0.11 1.25 4.57 -0.88 0.24 114.58 119.71 2c4m h GLU 505 Ca 0.02 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.84 2c4m h GLU 505 Cb 0.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2c4m h GLU 505 CO 0.00 0.18 -1.99 -2.13 -1.18 0.00 0.00 179.01 173.90 2c4m n ARG 506 N -3.90 0.75 0.00 1.92 0.63 -0.24 -4.54 116.66 111.27 2c4m n ARG 506 Ca -0.02 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2c4m n ARG 506 Cb 0.28 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.48 2c4m n ARG 506 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2c4m n GLN 507 N -3.45 0.61 -1.61 -0.14 6.02 -0.61 -5.04 117.38 113.17 2c4m n GLN 507 Ca -0.31 -0.64 -0.13 0.00 -0.01 0.00 0.00 57.00 55.90 2c4m n GLN 507 Cb 1.05 -0.68 -0.04 0.00 1.02 0.00 0.00 30.24 31.58 2c4m n GLN 507 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c4m n GLY 508 N -0.12 1.01 3.69 1.08 0.00 0.85 -4.99 105.19 106.71 2c4m n GLY 508 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2c4m n GLY 508 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2c4m s ILE 509 N -2.54 4.65 -0.20 -0.61 2.07 -1.25 -4.98 121.20 118.35 2c4m s ILE 509 Ca 0.00 -0.10 -0.11 0.00 -1.41 0.00 0.00 60.65 59.03 2c4m s ILE 509 Cb 0.00 -3.02 -0.05 0.00 0.13 0.00 0.00 42.46 39.52 2c4m s ILE 509 CO 0.00 0.56 0.17 -1.61 -1.91 0.00 0.00 174.94 172.15 2c4m s GLU 510 N -0.45 4.18 0.24 3.50 2.02 -1.26 -3.61 118.70 123.31 2c4m s GLU 510 Ca 0.09 -0.17 0.07 0.00 0.02 0.00 0.00 54.97 54.98 2c4m s GLU 510 Cb -0.12 -3.45 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 2c4m s GLU 510 CO 0.02 0.23 -0.09 0.96 0.02 0.00 0.00 175.26 176.40 2c4m s ILE 511 N 0.56 1.61 -0.45 -1.63 -4.36 -1.26 -5.11 121.20 110.55 2c4m s ILE 511 Ca 0.10 -2.15 -0.25 0.00 -0.26 0.00 0.00 60.65 58.09 2c4m s ILE 511 Cb -0.12 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.38 2c4m s ILE 511 CO 0.01 -0.45 0.89 -0.62 0.24 0.00 0.00 174.94 175.01 2c4m s ASP 512 N -3.36 6.49 0.35 4.36 -1.08 -1.26 -4.91 116.67 117.26 2c4m s ASP 512 Ca 0.26 0.10 0.23 0.00 -0.52 0.00 0.00 52.55 52.62 2c4m s ASP 512 Cb 0.02 -2.43 1.26 0.00 -1.46 0.00 0.00 42.92 40.31 2c4m s ASP 512 CO 0.09 -1.00 1.71 -0.65 0.52 0.00 0.00 175.17 175.84 2c4m h PRO 513 N 9.00 0.00 0.00 4.34 0.11 -1.97 -2.09 132.00 141.39 2c4m h PRO 513 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2c4m h PRO 513 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2c4m h PRO 513 CO 1.01 0.00 -1.27 0.39 -0.21 0.00 0.00 178.00 177.91 2c4m n GLU 514 N -2.32 0.23 -1.21 1.05 1.02 -1.26 -4.59 120.64 113.58 2c4m n GLU 514 Ca -0.02 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.78 2c4m n GLU 514 Cb 0.04 -1.52 0.16 0.00 -0.02 0.00 0.00 31.44 30.10 2c4m n GLU 514 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2c4m s SER 515 N -3.59 2.96 0.07 1.62 1.04 -0.79 -4.96 113.70 110.06 2c4m s SER 515 Ca 0.03 1.27 -0.30 0.00 0.48 0.00 0.00 55.95 57.43 2c4m s SER 515 Cb 0.15 -1.94 -0.06 0.00 0.10 0.00 0.00 66.02 64.27 2c4m s SER 515 CO 0.87 -2.93 1.18 -0.63 0.98 0.00 0.00 173.24 172.70 2c4m s ILE 516 N -2.97 4.07 -0.68 -1.02 1.01 -0.40 -4.78 121.20 116.42 2c4m s ILE 516 Ca 0.65 1.50 -0.19 0.00 0.00 0.00 0.00 60.65 62.60 2c4m s ILE 516 Cb -0.18 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.44 2c4m s ILE 516 CO 0.57 0.13 0.84 -0.36 0.00 0.00 0.00 174.94 176.11 2c4m s PHE 517 N 0.97 3.00 -0.48 3.97 0.40 -1.26 -0.30 117.98 124.27 2c4m s PHE 517 Ca 0.58 -1.02 -0.20 0.00 -0.60 0.00 0.00 56.93 55.69 2c4m s PHE 517 Cb -0.29 -4.11 0.04 0.00 0.51 0.00 0.00 43.02 39.17 2c4m s PHE 517 CO 0.30 -1.39 0.63 0.34 0.70 0.00 0.00 175.22 175.80 2c4m s ASP 518 N 3.54 6.26 -0.10 1.36 -1.08 -0.93 -0.62 116.67 125.09 2c4m s ASP 518 Ca 0.18 -0.68 0.01 0.00 -0.52 0.00 0.00 52.55 51.54 2c4m s ASP 518 Cb -0.18 -2.30 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 2c4m s ASP 518 CO 0.03 -0.85 -0.15 -0.69 0.52 0.00 0.00 175.17 174.04 2c4m s VAL 519 N 2.71 2.91 -0.31 1.11 1.01 -0.00 -0.77 120.40 127.05 2c4m s VAL 519 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2c4m s VAL 519 Cb -0.17 -2.19 0.10 0.00 0.00 0.00 0.00 36.38 34.12 2c4m s VAL 519 CO 0.15 0.55 0.08 -1.58 0.00 0.00 0.00 175.10 174.30 2c4m s GLN 520 N 0.05 0.90 -0.37 2.72 0.74 -0.28 -0.98 119.66 122.44 2c4m s GLN 520 Ca -0.06 -1.25 -0.03 0.00 0.05 0.00 0.00 55.36 54.07 2c4m s GLN 520 Cb -0.15 -2.27 0.08 0.00 1.10 0.00 0.00 33.01 31.78 2c4m s GLN 520 CO 0.05 -0.97 0.14 0.96 -0.55 0.00 0.00 175.29 174.92 2c4m s ILE 521 N 1.46 3.32 0.02 -2.34 -4.36 -1.26 -1.82 121.20 116.23 2c4m s ILE 521 Ca 0.10 -1.73 -0.23 0.00 -0.26 0.00 0.00 60.65 58.53 2c4m s ILE 521 Cb -0.18 -3.12 0.05 0.00 1.25 0.00 0.00 42.46 40.46 2c4m s ILE 521 CO -0.21 -0.47 0.51 -0.54 0.24 0.00 0.00 174.94 174.48 2c4m s LYS 522 N 1.22 0.99 0.34 0.37 1.02 -0.50 -4.98 119.74 118.19 2c4m s LYS 522 Ca 0.03 -0.16 -0.27 0.00 0.02 0.00 0.00 55.97 55.59 2c4m s LYS 522 Cb -0.22 0.45 -0.13 0.00 -0.52 0.00 0.00 37.83 37.42 2c4m s LYS 522 CO -0.02 -0.34 1.10 -2.13 -0.92 0.00 0.00 175.35 173.04 2c4m n ARG 523 N 0.59 1.62 -2.33 1.68 3.00 -1.26 -4.21 116.66 115.74 2c4m n ARG 523 Ca -0.19 0.57 -0.43 0.00 -0.00 0.00 0.00 57.85 57.80 2c4m n ARG 523 Cb 0.59 -2.06 -0.02 0.00 0.00 0.00 0.00 32.46 30.97 2c4m n ARG 523 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2c4m s LEU 524 N -0.29 3.56 -0.03 6.15 1.98 -0.41 -4.90 118.68 124.75 2c4m s LEU 524 Ca 0.59 0.82 -0.03 0.00 -2.89 0.00 0.00 54.13 52.61 2c4m s LEU 524 Cb -0.62 -3.50 0.01 0.00 0.66 0.00 0.00 46.19 42.73 2c4m s LEU 524 CO 0.60 -1.48 0.08 -2.28 -1.89 0.00 0.00 176.35 171.38 2c4m s HIS 525 N 5.60 -0.06 0.39 5.38 2.46 -1.26 -4.67 115.29 123.13 2c4m s HIS 525 Ca 0.62 0.16 0.14 0.00 0.47 0.00 0.00 55.06 56.45 2c4m s HIS 525 Cb -0.14 0.02 0.97 0.00 -0.13 0.00 0.00 32.58 33.29 2c4m s HIS 525 CO 0.32 -0.06 1.87 0.93 -2.47 0.00 0.00 174.74 175.33 2c4m h GLU 526 N 5.88 0.51 0.00 2.88 5.08 -1.96 0.95 114.58 127.93 2c4m h GLU 526 Ca -0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2c4m h GLU 526 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2c4m h GLU 526 CO 0.45 0.34 0.00 2.48 -1.00 0.00 0.00 179.01 181.28 2c4m n TYR 527 N -4.54 0.54 0.33 4.33 0.18 -1.26 -1.08 117.16 115.66 2c4m n TYR 527 Ca 0.18 0.19 0.13 0.00 1.88 0.00 0.00 57.90 60.29 2c4m n TYR 527 Cb 0.58 -0.81 0.37 0.00 -0.38 0.00 0.00 39.34 39.10 2c4m n TYR 527 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 2c4m h LYS 528 N 0.00 0.00 -6.23 -3.48 6.56 -1.15 -2.15 116.57 110.12 2c4m h LYS 528 Ca 0.00 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.13 2c4m h LYS 528 Cb 0.44 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 2c4m h LYS 528 CO 0.00 0.00 -0.75 0.54 -2.06 0.00 0.00 179.45 177.18 2c4m n ARG 529 N -2.85 -5.82 0.05 3.15 1.74 -0.24 -4.01 116.66 108.67 2c4m n ARG 529 Ca 0.03 0.63 0.16 0.00 -0.77 0.00 0.00 57.85 57.90 2c4m n ARG 529 Cb 0.43 -5.52 0.65 0.00 -1.02 0.00 0.00 32.46 26.99 2c4m n ARG 529 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2c4m h GLN 530 N -2.16 0.07 -0.96 5.56 7.50 -1.83 -1.95 115.11 121.33 2c4m h GLN 530 Ca -0.58 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.57 2c4m h GLN 530 Cb 1.37 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 28.84 2c4m h GLN 530 CO 0.65 0.04 0.61 1.25 -1.50 0.00 0.00 178.83 179.89 2c4m h LEU 531 N 0.07 1.13 -0.58 1.46 5.85 -1.90 0.80 115.31 122.14 2c4m h LEU 531 Ca 0.20 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2c4m h LEU 531 Cb 0.70 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2c4m h LEU 531 CO -0.01 0.84 0.10 -0.03 -0.34 0.00 0.00 178.44 178.99 2c4m h MET 532 N 1.32 0.97 -0.65 1.25 4.05 -1.73 -0.06 114.93 120.08 2c4m h MET 532 Ca 0.35 -0.26 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2c4m h MET 532 Cb -0.11 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.55 2c4m h MET 532 CO -0.07 0.92 0.42 -0.97 0.23 0.00 0.00 176.91 177.44 2c4m h ASN 533 N 0.87 0.72 -0.07 1.39 -0.73 -1.12 -1.78 115.58 114.85 2c4m h ASN 533 Ca 0.18 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.34 2c4m h ASN 533 Cb 0.42 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 2c4m h ASN 533 CO 0.01 0.51 0.05 0.00 -0.37 0.00 0.00 177.43 177.63 2c4m h ALA 534 N 1.25 0.09 -0.31 1.57 0.00 -0.29 -2.25 119.26 119.32 2c4m h ALA 534 Ca 0.25 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2c4m h ALA 534 Cb -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 2c4m h ALA 534 CO -0.07 -0.42 -0.29 -0.07 0.00 0.00 0.00 179.25 178.41 2c4m h LEU 535 N 0.10 -0.93 -0.87 0.00 3.38 -0.71 0.34 115.31 116.62 2c4m h LEU 535 Ca 0.03 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.31 2c4m h LEU 535 Cb -0.01 0.44 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2c4m h LEU 535 CO -0.01 -0.31 0.47 0.22 0.09 0.00 0.00 178.44 178.90 2c4m h TYR 536 N -0.26 0.82 -0.45 1.13 5.03 -1.04 0.29 116.97 122.49 2c4m h TYR 536 Ca 0.15 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.43 2c4m h TYR 536 Cb 0.51 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 2c4m h TYR 536 CO -0.46 0.22 0.04 0.28 -1.32 0.00 0.00 178.16 176.91 2c4m h VAL 537 N 0.67 1.25 -0.15 1.81 2.07 -0.81 0.11 116.25 121.20 2c4m h VAL 537 Ca 0.47 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2c4m h VAL 537 Cb 0.64 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2c4m h VAL 537 CO -0.35 0.34 0.07 0.25 0.02 0.00 0.00 177.57 177.90 2c4m h LEU 538 N 0.63 0.20 -0.35 2.57 5.85 0.34 0.19 115.31 124.73 2c4m h LEU 538 Ca 0.13 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2c4m h LEU 538 Cb 0.44 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2c4m h LEU 538 CO 0.02 0.27 0.22 -0.78 -0.34 0.00 0.00 178.44 177.82 2c4m h ASP 539 N 0.11 0.36 0.01 1.25 3.58 -0.38 -1.19 116.42 120.15 2c4m h ASP 539 Ca 0.05 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2c4m h ASP 539 Cb 0.12 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2c4m h ASP 539 CO -0.01 0.26 -0.01 0.25 -2.88 0.00 0.00 179.24 176.86 2c4m h LEU 540 N 0.44 0.00 -0.36 2.28 5.85 -0.49 1.00 115.31 124.02 2c4m h LEU 540 Ca 0.14 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2c4m h LEU 540 Cb -0.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2c4m h LEU 540 CO -0.05 0.01 0.13 0.22 -0.34 0.00 0.00 178.44 178.40 2c4m h TYR 541 N 0.00 0.57 -0.01 1.25 3.20 0.25 -2.45 116.97 119.78 2c4m h TYR 541 Ca -0.00 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.69 2c4m h TYR 541 Cb 0.01 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2c4m h TYR 541 CO 0.00 0.53 -0.62 0.74 -1.64 0.00 0.00 178.16 177.17 2c4m h PHE 542 N 0.44 0.07 0.00 -3.82 0.04 -0.49 -1.34 116.94 111.84 2c4m h PHE 542 Ca 0.12 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2c4m h PHE 542 Cb 0.22 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2c4m h PHE 542 CO 0.00 0.66 -0.19 0.00 -0.60 0.00 0.00 178.31 178.18 2c4m h ARG 543 N 0.04 0.00 0.03 1.51 3.08 -0.70 -0.41 114.38 117.92 2c4m h ARG 543 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2c4m h ARG 543 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 2c4m h ARG 543 CO 0.08 0.19 -1.27 0.82 -1.07 0.00 0.00 179.97 178.73 2c4m h ILE 544 N 0.00 0.96 -0.12 2.04 2.04 -1.28 -0.04 117.51 121.12 2c4m h ILE 544 Ca -0.00 -2.23 -0.21 0.00 1.00 0.00 0.00 64.86 63.41 2c4m h ILE 544 Cb 0.68 2.39 0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2c4m h ILE 544 CO 0.02 0.44 -0.76 0.50 0.00 0.00 0.00 178.15 178.35 2c4m h LYS 545 N -0.81 0.72 0.00 2.37 3.64 -1.27 -3.31 116.57 117.91 2c4m h LYS 545 Ca -0.33 -0.62 -0.20 0.00 -1.27 0.00 0.00 60.65 58.23 2c4m h LYS 545 Cb 1.41 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.33 2c4m h LYS 545 CO -0.13 1.23 -1.81 0.39 -2.27 0.00 0.00 179.45 176.85 2c4m n GLU 546 N -3.99 1.84 0.00 1.90 -0.58 -0.20 -4.65 120.64 114.95 2c4m n GLU 546 Ca -0.08 -0.02 0.13 0.00 -0.42 0.00 0.00 57.16 56.77 2c4m n GLU 546 Cb 0.74 -1.31 0.27 0.00 -0.57 0.00 0.00 31.44 30.57 2c4m n GLU 546 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2c4m n ASP 547 N -2.40 2.00 -0.19 1.62 9.92 -0.99 -4.96 116.55 121.55 2c4m n ASP 547 Ca -0.18 -1.56 -0.02 0.00 -0.53 0.00 0.00 54.79 52.49 2c4m n ASP 547 Cb 0.84 0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 41.41 2c4m n ASP 547 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2c4m n GLY 548 N 1.30 0.53 3.72 0.44 0.00 -1.12 -4.94 105.19 105.11 2c4m n GLY 548 Ca 0.15 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2c4m n GLY 548 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c4m s LEU 549 N -0.55 4.37 0.00 0.99 2.96 -0.04 -4.83 118.68 121.58 2c4m s LEU 549 Ca 0.00 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 2c4m s LEU 549 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2c4m s LEU 549 CO 0.00 -0.92 0.00 0.35 -1.32 0.00 0.00 176.35 174.46 2c4m n THR 550 N 4.06 0.00 -1.10 3.68 -2.24 -1.26 -4.58 114.28 112.84 2c4m n THR 550 Ca 0.15 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.71 2c4m n THR 550 Cb 0.37 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 2c4m n THR 550 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2c4m n ASP 551 N 0.00 6.55 -4.00 3.42 2.03 -1.26 -4.83 116.55 118.46 2c4m n ASP 551 Ca 0.00 -2.50 -0.09 0.00 0.52 0.00 0.00 54.79 52.72 2c4m n ASP 551 Cb 0.00 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 38.84 2c4m n ASP 551 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2c4m s ILE 552 N 1.52 0.13 0.52 5.18 -4.36 -1.26 -5.06 121.20 117.88 2c4m s ILE 552 Ca 0.67 -1.11 -0.19 0.00 -0.26 0.00 0.00 60.65 59.77 2c4m s ILE 552 Cb 0.26 -0.55 -0.07 0.00 1.25 0.00 0.00 42.46 43.35 2c4m s ILE 552 CO -0.02 -0.61 1.04 -2.16 0.24 0.00 0.00 174.94 173.42 2c4m s PRO 553 N -2.01 3.67 0.53 0.37 0.04 -1.26 -5.01 135.00 131.32 2c4m s PRO 553 Ca -0.11 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 2c4m s PRO 553 Cb -0.06 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2c4m s PRO 553 CO -0.03 -0.53 1.07 0.00 0.04 0.00 0.00 177.00 177.55 2c4m s ALA 554 N -2.19 2.78 0.04 8.56 0.00 -1.26 -4.91 121.76 124.78 2c4m s ALA 554 Ca 0.65 0.63 -0.07 0.00 0.00 0.00 0.00 51.96 53.18 2c4m s ALA 554 Cb -0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2c4m s ALA 554 CO 0.26 -0.56 0.12 -0.98 0.00 0.00 0.00 175.76 174.60 2c4m s ARG 555 N -3.41 0.61 -0.23 0.00 1.70 -0.85 -1.28 118.95 115.49 2c4m s ARG 555 Ca 0.68 -0.71 0.02 0.00 -0.47 0.00 0.00 55.73 55.25 2c4m s ARG 555 Cb -0.19 0.24 0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2c4m s ARG 555 CO 0.25 -0.16 -0.13 0.99 -1.08 0.00 0.00 175.30 175.18 2c4m s THR 556 N -2.56 2.00 -0.45 4.99 2.01 0.59 -2.14 115.64 120.07 2c4m s THR 556 Ca -0.05 -1.33 -0.22 0.00 0.31 0.00 0.00 61.69 60.40 2c4m s THR 556 Cb -0.01 -2.04 0.03 0.00 0.01 0.00 0.00 72.50 70.48 2c4m s THR 556 CO -0.04 0.14 0.72 -0.69 -0.69 0.00 0.00 174.62 174.05 2c4m s VAL 557 N 1.22 4.73 -0.16 3.82 1.01 0.41 -2.19 120.40 129.24 2c4m s VAL 557 Ca -0.04 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 2c4m s VAL 557 Cb -0.18 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 2c4m s VAL 557 CO -0.08 -0.67 0.23 -0.63 0.00 0.00 0.00 175.10 173.95 2c4m s ILE 558 N 3.07 5.35 0.07 2.22 1.01 0.05 -0.98 121.20 131.98 2c4m s ILE 558 Ca 0.26 0.41 0.08 0.00 0.00 0.00 0.00 60.65 61.41 2c4m s ILE 558 Cb -0.13 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2c4m s ILE 558 CO 0.21 0.43 -0.21 -0.36 0.00 0.00 0.00 174.94 175.01 2c4m s PHE 559 N 0.25 2.46 -0.22 3.97 0.08 0.20 -1.13 117.98 123.60 2c4m s PHE 559 Ca 0.14 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 2c4m s PHE 559 Cb -0.12 -1.40 0.11 0.00 -0.57 0.00 0.00 43.02 41.04 2c4m s PHE 559 CO 0.02 0.26 0.33 0.20 -0.10 0.00 0.00 175.22 175.93 2c4m s GLY 560 N -1.60 -0.27 -0.15 4.36 0.00 -0.75 0.81 107.32 109.71 2c4m s GLY 560 Ca 0.14 0.79 -0.25 0.00 0.00 0.00 0.00 44.72 45.40 2c4m s GLY 560 CO 0.05 2.44 0.63 0.00 0.00 0.00 0.00 173.10 176.23 2c4m s ALA 561 N 2.48 -1.60 0.04 3.20 0.00 -1.26 -1.42 121.76 123.21 2c4m s ALA 561 Ca 0.09 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2c4m s ALA 561 Cb -0.15 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2c4m s ALA 561 CO -0.14 -0.33 0.14 0.15 0.00 0.00 0.00 175.76 175.59 2c4m s LYS 562 N -0.41 3.21 0.02 0.00 1.02 -1.26 -4.76 119.74 117.56 2c4m s LYS 562 Ca -0.06 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.47 2c4m s LYS 562 Cb -0.03 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2c4m s LYS 562 CO 0.05 0.61 -0.08 0.00 -0.92 0.00 0.00 175.35 175.02 2c4m s ALA 563 N -1.39 2.99 0.37 5.17 0.00 -1.26 -1.29 121.76 126.35 2c4m s ALA 563 Ca 0.30 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 2c4m s ALA 563 Cb -0.13 -1.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.81 2c4m s ALA 563 CO 0.22 0.62 1.51 0.00 0.00 0.00 0.00 175.76 178.11 2c4m n ALA 564 N 1.43 2.44 -0.31 0.00 0.00 -1.26 -4.87 120.51 117.93 2c4m n ALA 564 Ca -0.15 0.35 0.16 0.00 0.00 0.00 0.00 53.44 53.80 2c4m n ALA 564 Cb 0.52 -2.43 0.33 0.00 0.00 0.00 0.00 19.45 17.88 2c4m n ALA 564 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2c4m h PRO 565 N 3.26 0.12 -0.72 0.00 0.11 -2.02 -1.05 132.00 131.70 2c4m h PRO 565 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2c4m h PRO 565 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2c4m h PRO 565 CO 0.66 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 2c4m n GLY 566 N -1.40 2.53 3.52 -0.55 0.00 -1.26 -4.78 105.19 103.25 2c4m n GLY 566 Ca 0.24 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2c4m n GLY 566 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2c4m s TYR 567 N -1.05 2.88 0.17 1.61 6.14 -0.40 -4.89 117.35 121.80 2c4m s TYR 567 Ca 0.48 -1.31 -0.21 0.00 0.64 0.00 0.00 57.07 56.68 2c4m s TYR 567 Cb 0.26 -4.53 0.08 0.00 0.42 0.00 0.00 41.96 38.18 2c4m s TYR 567 CO 0.32 -1.71 1.62 0.28 0.64 0.00 0.00 175.55 176.71 2c4m h VAL 568 N 6.02 0.34 0.00 3.14 2.07 -1.86 -1.79 116.25 124.17 2c4m h VAL 568 Ca 0.24 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 2c4m h VAL 568 Cb 0.97 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2c4m h VAL 568 CO 1.31 0.00 -0.40 0.03 0.02 0.00 0.00 177.57 178.53 2c4m h ARG 569 N -0.20 0.00 -0.36 1.57 3.08 -1.98 -0.56 114.38 115.93 2c4m h ARG 569 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2c4m h ARG 569 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2c4m h ARG 569 CO -0.48 0.40 0.17 0.00 -1.07 0.00 0.00 179.97 178.99 2c4m h ALA 570 N 1.60 0.47 -0.14 0.04 0.00 -1.79 0.69 119.26 120.13 2c4m h ALA 570 Ca -0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2c4m h ALA 570 Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2c4m h ALA 570 CO 0.05 0.04 -0.31 0.87 0.00 0.00 0.00 179.25 179.90 2c4m h LYS 571 N 0.45 0.27 -0.49 0.00 1.57 -1.02 -2.16 116.57 115.19 2c4m h LYS 571 Ca 0.13 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2c4m h LYS 571 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2c4m h LYS 571 CO -0.02 0.56 -0.02 0.00 -0.57 0.00 0.00 179.45 179.40 2c4m h ALA 572 N 1.44 1.04 -0.61 3.86 0.00 -0.59 -0.84 119.26 123.56 2c4m h ALA 572 Ca 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2c4m h ALA 572 Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2c4m h ALA 572 CO 0.05 0.59 0.09 0.82 0.00 0.00 0.00 179.25 180.80 2c4m h ILE 573 N 0.77 1.26 -0.66 0.00 2.04 -0.56 0.21 117.51 120.56 2c4m h ILE 573 Ca 0.14 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 2c4m h ILE 573 Cb 0.49 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2c4m h ILE 573 CO 0.02 0.37 0.09 0.40 0.00 0.00 0.00 178.15 179.04 2c4m h ILE 574 N 0.94 1.26 -0.49 -0.67 2.04 -1.00 -0.43 117.51 119.17 2c4m h ILE 574 Ca 0.19 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2c4m h ILE 574 Cb 0.43 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2c4m h ILE 574 CO 0.01 0.40 0.20 0.50 0.00 0.00 0.00 178.15 179.26 2c4m h LYS 575 N 1.03 0.73 -0.50 2.37 1.63 -0.64 -1.83 116.57 119.36 2c4m h LYS 575 Ca 0.20 -0.13 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2c4m h LYS 575 Cb 0.46 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 2c4m h LYS 575 CO 0.02 0.65 0.28 1.25 -3.45 0.00 0.00 179.45 178.19 2c4m h LEU 576 N 0.65 0.43 -0.55 5.20 5.85 -0.15 -0.49 115.31 126.24 2c4m h LEU 576 Ca 0.16 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2c4m h LEU 576 Cb 0.19 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2c4m h LEU 576 CO -0.01 0.30 0.35 0.40 -0.34 0.00 0.00 178.44 179.14 2c4m h ILE 577 N 0.55 1.15 -0.43 4.05 2.04 -0.83 -0.00 117.51 124.04 2c4m h ILE 577 Ca 0.21 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2c4m h ILE 577 Cb 0.07 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2c4m h ILE 577 CO -0.12 0.15 0.11 0.78 0.00 0.00 0.00 178.15 179.07 2c4m h ASN 578 N 0.75 0.59 -0.08 1.72 2.35 -0.72 0.02 115.58 120.20 2c4m h ASN 578 Ca 0.20 -0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.66 2c4m h ASN 578 Cb -0.05 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2c4m h ASN 578 CO -0.04 0.59 -0.68 0.28 -1.65 0.00 0.00 177.43 175.93 2c4m h SER 579 N 0.62 0.82 -0.53 5.81 0.02 -0.56 -1.83 113.55 117.90 2c4m h SER 579 Ca 0.14 -0.50 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 2c4m h SER 579 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2c4m h SER 579 CO -0.00 1.28 0.03 0.40 -1.14 0.00 0.00 176.83 177.39 2c4m h ILE 580 N 0.51 1.26 -0.35 3.27 2.04 -0.62 -1.28 117.51 122.34 2c4m h ILE 580 Ca -0.02 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 2c4m h ILE 580 Cb 1.28 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2c4m h ILE 580 CO 0.14 0.38 0.20 0.00 0.00 0.00 0.00 178.15 178.87 2c4m h ALA 581 N 1.14 0.45 -0.78 1.87 0.00 -0.90 -0.77 119.26 120.26 2c4m h ALA 581 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2c4m h ALA 581 Cb 0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2c4m h ALA 581 CO 0.02 -0.05 0.52 -0.44 0.00 0.00 0.00 179.25 179.30 2c4m h ASP 582 N 0.45 0.89 0.02 0.00 3.32 -0.97 0.31 116.42 120.42 2c4m h ASP 582 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2c4m h ASP 582 Cb 0.03 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2c4m h ASP 582 CO -0.02 0.64 -0.01 0.25 -1.72 0.00 0.00 179.24 178.38 2c4m h LEU 583 N 1.05 -0.02 0.05 1.55 5.85 -0.69 -3.08 115.31 120.02 2c4m h LEU 583 Ca 0.29 -0.31 -0.24 0.00 0.84 0.00 0.00 57.88 58.46 2c4m h LEU 583 Cb -0.10 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2c4m h LEU 583 CO -0.07 0.31 -1.11 -0.37 -0.34 0.00 0.00 178.44 176.86 2c4m h VAL 584 N -0.34 1.62 0.00 1.05 -1.51 -0.95 -3.18 116.25 112.94 2c4m h VAL 584 Ca -0.00 -3.28 -0.05 0.00 -1.23 0.00 0.00 66.70 62.14 2c4m h VAL 584 Cb 0.33 2.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.36 2c4m h VAL 584 CO 0.00 0.94 -0.26 0.78 -1.23 0.00 0.00 177.57 177.81 2c4m h ASN 585 N 0.03 0.00 -0.36 4.19 4.21 -0.50 -3.05 115.58 120.11 2c4m h ASN 585 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2c4m h ASN 585 Cb 1.85 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.05 2c4m h ASN 585 CO 0.16 0.26 0.00 0.59 -1.29 0.00 0.00 177.43 177.14 2c4m n ASN 586 N -3.46 3.49 -4.24 5.81 3.02 -1.16 -4.83 115.26 113.89 2c4m n ASN 586 Ca -0.00 -2.40 -0.43 0.00 -0.03 0.00 0.00 54.58 51.72 2c4m n ASN 586 Cb 0.43 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 2c4m n ASN 586 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2c4m s ASP 587 N -1.31 5.98 0.58 6.41 -1.08 -1.15 -4.95 116.67 121.15 2c4m s ASP 587 Ca 0.33 -2.19 0.31 0.00 -0.52 0.00 0.00 52.55 50.49 2c4m s ASP 587 Cb 0.22 -2.08 1.39 0.00 -1.46 0.00 0.00 42.92 40.99 2c4m s ASP 587 CO 0.15 -0.66 1.73 -0.65 0.52 0.00 0.00 175.17 176.26 2c4m h PRO 588 N 8.20 0.00 -0.00 4.34 0.11 -1.88 0.51 132.00 143.29 2c4m h PRO 588 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2c4m h PRO 588 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2c4m h PRO 588 CO 0.86 0.00 -0.01 0.39 -0.21 0.00 0.00 178.00 179.03 2c4m n GLU 589 N -3.75 0.70 0.00 1.05 1.02 -1.26 -4.19 120.64 114.21 2c4m n GLU 589 Ca 0.18 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2c4m n GLU 589 Cb 1.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 2c4m n GLU 589 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2c4m n VAL 590 N -1.12 0.00 -0.11 2.62 0.31 0.16 -4.74 118.33 115.45 2c4m n VAL 590 Ca 0.18 0.00 0.24 0.00 -0.01 0.00 0.00 64.34 64.75 2c4m n VAL 590 Cb 0.20 -0.34 0.68 0.00 -0.91 0.00 0.00 33.84 33.46 2c4m n VAL 590 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2c4m h SER 591 N 0.00 0.05 0.36 4.52 4.64 -0.96 -1.26 113.55 120.90 2c4m h SER 591 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2c4m h SER 591 Cb 0.38 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2c4m h SER 591 CO 0.00 0.02 -0.04 -0.65 -0.87 0.00 0.00 176.83 175.30 2c4m h PRO 592 N 0.05 0.00 -0.00 4.77 0.11 -1.84 -2.91 132.00 132.18 2c4m h PRO 592 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2c4m h PRO 592 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2c4m h PRO 592 CO -0.02 0.04 -0.01 1.28 -0.21 0.00 0.00 178.00 179.07 2c4m n LEU 593 N -3.30 0.30 -3.65 2.35 4.77 -0.57 -4.73 117.00 112.16 2c4m n LEU 593 Ca -0.02 -0.64 -0.04 0.00 -0.03 0.00 0.00 56.01 55.28 2c4m n LEU 593 Cb 0.18 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2c4m n LEU 593 CO 0.25 0.07 0.26 -0.22 -1.33 0.00 0.00 177.39 176.43 2c4m s LEU 594 N -1.47 -0.99 0.04 2.23 2.96 -0.62 -2.02 118.68 118.80 2c4m s LEU 594 Ca 0.00 1.48 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 2c4m s LEU 594 Cb 0.00 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.89 2c4m s LEU 594 CO 0.01 -0.23 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.19 2c4m s LYS 595 N 2.37 0.57 -0.09 1.98 1.02 -0.91 -3.97 119.74 120.70 2c4m s LYS 595 Ca -0.07 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.26 2c4m s LYS 595 Cb -0.09 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2c4m s LYS 595 CO -0.19 0.08 -0.23 0.08 -0.92 0.00 0.00 175.35 174.18 2c4m s VAL 596 N -1.16 2.21 -0.15 3.17 1.01 -1.26 -0.45 120.40 123.77 2c4m s VAL 596 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2c4m s VAL 596 Cb -0.09 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2c4m s VAL 596 CO 0.01 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.85 2c4m s VAL 597 N 0.14 1.50 -0.39 2.92 1.01 -0.15 -4.89 120.40 120.54 2c4m s VAL 597 Ca -0.12 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 2c4m s VAL 597 Cb -0.16 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.82 2c4m s VAL 597 CO 0.07 0.41 0.22 0.12 0.00 0.00 0.00 175.10 175.92 2c4m s PHE 598 N 1.51 3.27 -0.32 5.22 2.19 -1.26 0.62 117.98 129.21 2c4m s PHE 598 Ca 0.04 -1.13 -0.29 0.00 0.33 0.00 0.00 56.93 55.88 2c4m s PHE 598 Cb -0.13 -2.59 0.00 0.00 -1.31 0.00 0.00 43.02 38.99 2c4m s PHE 598 CO -0.10 -0.71 1.32 0.08 1.83 0.00 0.00 175.22 177.64 2c4m s VAL 599 N 1.52 4.10 0.33 3.12 1.01 0.24 -4.94 120.40 125.77 2c4m s VAL 599 Ca 0.02 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 2c4m s VAL 599 Cb -0.20 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 2c4m s VAL 599 CO 0.05 -0.52 1.18 -0.70 0.00 0.00 0.00 175.10 175.11 2c4m s GLU 600 N 4.29 4.41 -1.33 2.72 2.12 -1.26 -3.91 118.70 125.75 2c4m s GLU 600 Ca 0.57 1.93 -0.03 0.00 0.36 0.00 0.00 54.97 57.80 2c4m s GLU 600 Cb -0.16 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.22 2c4m s GLU 600 CO 0.25 -0.04 0.83 -1.71 -0.54 0.00 0.00 175.26 174.05 2c4m n ASN 601 N 0.78 -2.26 -4.59 -1.70 5.15 -1.25 -4.89 115.26 106.52 2c4m n ASN 601 Ca 0.01 -0.76 -0.48 0.00 -0.60 0.00 0.00 54.58 52.75 2c4m n ASN 601 Cb 0.44 -4.28 -0.03 0.00 -0.53 0.00 0.00 39.78 35.38 2c4m n ASN 601 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2c4m n TYR 602 N -4.37 1.37 -3.10 1.20 9.36 -1.25 -4.88 117.16 115.49 2c4m n TYR 602 Ca -0.22 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.66 2c4m n TYR 602 Cb 0.64 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 37.06 2c4m n TYR 602 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2c4m n ASN 603 N 1.90 0.00 -0.03 2.98 2.85 -1.26 -4.88 115.26 116.82 2c4m n ASN 603 Ca 0.14 -0.85 -0.09 0.00 -0.11 0.00 0.00 54.58 53.67 2c4m n ASN 603 Cb 0.26 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.25 2c4m n ASN 603 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2c4m h VAL 604 N 0.85 0.85 -0.14 3.44 2.07 -1.95 -1.15 116.25 120.23 2c4m h VAL 604 Ca 0.00 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2c4m h VAL 604 Cb 0.00 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2c4m h VAL 604 CO 0.00 0.01 0.05 -1.28 0.02 0.00 0.00 177.57 176.36 2c4m h SER 605 N 0.04 0.05 -0.90 0.57 0.87 -1.96 -0.36 113.55 111.85 2c4m h SER 605 Ca 0.09 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2c4m h SER 605 Cb 0.12 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 2c4m h SER 605 CO -0.16 0.05 0.59 -0.65 -0.53 0.00 0.00 176.83 176.13 2c4m h PRO 606 N 0.11 1.17 -0.94 2.24 0.11 -1.86 -1.90 132.00 130.93 2c4m h PRO 606 Ca 0.06 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 66.17 2c4m h PRO 606 Cb 0.03 -0.26 -0.07 0.00 0.11 0.00 0.00 31.00 30.81 2c4m h PRO 606 CO -0.06 0.77 0.60 0.00 -0.21 0.00 0.00 178.00 179.10 2c4m h ALA 607 N 1.34 1.31 -0.01 -0.75 0.00 -0.62 -0.49 119.26 120.04 2c4m h ALA 607 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2c4m h ALA 607 Cb -0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2c4m h ALA 607 CO -0.08 0.35 -0.08 0.93 0.00 0.00 0.00 179.25 180.37 2c4m h GLU 608 N 1.07 0.02 0.00 0.00 5.08 -0.27 -1.87 114.58 118.60 2c4m h GLU 608 Ca 0.41 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.55 2c4m h GLU 608 Cb 0.20 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2c4m h GLU 608 CO -0.18 0.10 -1.35 0.45 -1.00 0.00 0.00 179.01 177.03 2c4m h HIS 609 N 0.02 0.00 0.00 4.33 3.86 -0.89 -3.41 115.15 119.07 2c4m h HIS 609 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2c4m h HIS 609 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2c4m h HIS 609 CO 0.00 0.82 -0.00 0.82 0.86 0.00 0.00 177.93 180.43 2c4m h ILE 610 N 0.00 1.39 -0.64 2.45 2.04 -0.81 -3.40 117.51 118.53 2c4m h ILE 610 Ca -0.17 -2.02 0.13 0.00 1.00 0.00 0.00 64.86 63.80 2c4m h ILE 610 Cb 1.77 2.61 -0.12 0.00 -0.74 0.00 0.00 36.82 40.34 2c4m h ILE 610 CO 0.08 0.47 -0.18 -0.07 0.00 0.00 0.00 178.15 178.44 2c4m h LEU 611 N -0.99 -0.66 -2.33 1.44 3.38 -1.57 -1.62 115.31 112.96 2c4m h LEU 611 Ca -0.00 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2c4m h LEU 611 Cb 0.77 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2c4m h LEU 611 CO 0.00 -0.23 0.06 -0.65 0.09 0.00 0.00 178.44 177.71 2c4m h PRO 612 N -0.02 0.00 -0.40 1.13 0.11 -1.78 -2.07 132.00 128.97 2c4m h PRO 612 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2c4m h PRO 612 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2c4m h PRO 612 CO -0.67 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.12 2c4m n ALA 613 N -2.37 2.43 -1.90 -0.75 0.00 -0.63 -4.78 120.51 112.52 2c4m n ALA 613 Ca -0.02 -0.96 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 2c4m n ALA 613 Cb 0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 2c4m n ALA 613 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2c4m s SER 614 N -1.44 7.43 -0.17 0.00 0.01 -0.78 -4.68 113.70 114.08 2c4m s SER 614 Ca 0.39 1.74 -0.05 0.00 1.31 0.00 0.00 55.95 59.34 2c4m s SER 614 Cb 0.22 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.84 2c4m s SER 614 CO 0.31 0.15 -0.19 0.47 0.41 0.00 0.00 173.24 174.38 2c4m n ASP 615 N 1.36 1.72 -4.30 2.44 8.00 0.20 -4.13 116.55 121.84 2c4m n ASP 615 Ca -0.03 0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.25 2c4m n ASP 615 Cb 0.49 -0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 2c4m n ASP 615 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2c4m s VAL 616 N -2.31 2.57 -0.39 2.53 1.01 -0.47 -0.09 120.40 123.26 2c4m s VAL 616 Ca -0.23 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 2c4m s VAL 616 Cb 0.08 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.46 2c4m s VAL 616 CO 0.32 0.54 0.23 -0.55 0.00 0.00 0.00 175.10 175.64 2c4m s SER 617 N 0.29 5.77 -0.39 3.32 0.15 0.76 -0.82 113.70 122.78 2c4m s SER 617 Ca -0.13 -1.08 -0.27 0.00 0.70 0.00 0.00 55.95 55.16 2c4m s SER 617 Cb -0.17 -2.04 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 2c4m s SER 617 CO 0.07 -0.43 1.01 -1.61 1.20 0.00 0.00 173.24 173.48 2c4m s GLU 618 N 1.55 3.84 -0.56 5.44 0.41 -0.15 -1.39 118.70 127.84 2c4m s GLU 618 Ca 0.02 0.65 0.06 0.00 -0.41 0.00 0.00 54.97 55.29 2c4m s GLU 618 Cb -0.20 -3.82 0.22 0.00 -1.78 0.00 0.00 34.13 28.55 2c4m s GLU 618 CO 0.06 -1.06 0.59 1.04 -0.49 0.00 0.00 175.26 175.41 2c4m n GLN 619 N 7.07 1.65 -1.16 1.61 1.13 -0.51 -4.72 117.38 122.45 2c4m n GLN 619 Ca 0.09 -4.09 -0.14 0.00 -1.94 0.00 0.00 57.00 50.92 2c4m n GLN 619 Cb 0.48 -1.93 0.15 0.00 0.11 0.00 0.00 30.24 29.05 2c4m n GLN 619 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2c4m n ILE 620 N 1.45 2.76 -1.62 5.09 -5.35 -1.26 -2.56 119.36 117.86 2c4m n ILE 620 Ca 0.26 -3.01 -0.35 0.00 -0.27 0.00 0.00 62.75 59.38 2c4m n ILE 620 Cb 0.44 -0.61 0.07 0.00 -1.74 0.00 0.00 39.64 37.80 2c4m n ILE 620 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2c4m s SER 621 N -2.55 4.56 0.17 7.28 0.01 -1.26 -4.64 113.70 117.27 2c4m s SER 621 Ca 0.50 2.34 -0.33 0.00 1.31 0.00 0.00 55.95 59.76 2c4m s SER 621 Cb 0.43 -2.59 -0.14 0.00 0.21 0.00 0.00 66.02 63.93 2c4m s SER 621 CO 0.01 -2.02 1.55 0.41 0.41 0.00 0.00 173.24 173.60 2c4m n THR 622 N -2.38 0.14 -1.64 1.44 -1.04 -0.81 -4.68 114.28 105.32 2c4m n THR 622 Ca 0.13 -0.04 -0.52 0.00 -2.04 0.00 0.00 64.05 61.58 2c4m n THR 622 Cb 0.50 -1.53 -0.06 0.00 -1.82 0.00 0.00 70.33 67.43 2c4m n THR 622 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c4m n ALA 623 N 3.18 -0.25 0.00 2.41 0.00 -1.26 -1.72 120.51 122.86 2c4m n ALA 623 Ca 0.16 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2c4m n ALA 623 Cb 0.29 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2c4m n ALA 623 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c4m n GLY 624 N 3.29 0.42 0.00 0.00 0.00 -1.26 -4.56 105.19 103.08 2c4m n GLY 624 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 2c4m n GLY 624 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c4m n LYS 625 N -1.70 0.52 -3.90 1.61 4.76 -0.70 -4.91 118.16 113.84 2c4m n LYS 625 Ca 0.00 -0.09 -0.35 0.00 -2.87 0.00 0.00 58.31 55.00 2c4m n LYS 625 Cb 0.00 -1.46 -0.14 0.00 -1.84 0.00 0.00 35.03 31.59 2c4m n LYS 625 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2c4m s GLU 626 N -3.15 3.43 0.04 1.97 0.41 -1.26 -4.96 118.70 115.17 2c4m s GLU 626 Ca 0.00 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 53.97 2c4m s GLU 626 Cb 0.14 -3.06 -0.26 0.00 -1.78 0.00 0.00 34.13 29.18 2c4m s GLU 626 CO 0.84 -0.18 0.98 0.00 -0.49 0.00 0.00 175.26 176.40 2c4m h ALA 627 N 8.09 0.32 -3.00 5.21 0.00 -1.91 -2.20 119.26 125.77 2c4m h ALA 627 Ca -0.41 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.43 2c4m h ALA 627 Cb 1.16 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2c4m h ALA 627 CO 0.60 1.19 0.00 0.45 0.00 0.00 0.00 179.25 181.49 2c4m n SER 628 N -3.39 0.00 0.00 0.00 2.88 -1.26 -4.44 113.62 107.41 2c4m n SER 628 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2c4m n SER 628 Cb 1.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2c4m n SER 628 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2c4m n GLY 629 N 2.71 0.02 0.15 0.46 0.00 -1.26 -1.11 105.19 106.16 2c4m n GLY 629 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2c4m n GLY 629 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c4m h THR 630 N 0.00 1.40 -0.24 2.61 1.35 -1.97 -2.51 112.91 113.55 2c4m h THR 630 Ca 0.00 -1.97 -0.03 0.00 -0.55 0.00 0.00 66.41 63.86 2c4m h THR 630 Cb 0.00 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2c4m h THR 630 CO 0.00 0.57 0.01 0.77 -0.25 0.00 0.00 175.52 176.62 2c4m h SER 631 N 0.07 0.32 -0.57 5.36 4.64 -1.97 -1.19 113.55 120.22 2c4m h SER 631 Ca -0.00 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2c4m h SER 631 Cb 1.05 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 2c4m h SER 631 CO 0.08 0.37 0.22 0.78 -0.87 0.00 0.00 176.83 177.41 2c4m h ASN 632 N 0.35 0.24 -0.40 4.97 4.21 -1.85 -1.63 115.58 121.46 2c4m h ASN 632 Ca 0.08 0.07 -0.06 0.00 1.21 0.00 0.00 56.30 57.60 2c4m h ASN 632 Cb 0.22 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 2c4m h ASN 632 CO 0.00 0.15 0.06 0.24 -1.29 0.00 0.00 177.43 176.59 2c4m h MET 633 N 0.41 0.75 -0.38 0.81 2.86 -1.19 -2.48 114.93 115.71 2c4m h MET 633 Ca 0.28 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 2c4m h MET 633 Cb 0.31 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2c4m h MET 633 CO -0.27 0.72 -0.28 0.87 1.06 0.00 0.00 176.91 179.02 2c4m h LYS 634 N 0.71 0.80 -0.56 1.72 1.57 -0.81 -2.42 116.57 117.58 2c4m h LYS 634 Ca 0.15 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2c4m h LYS 634 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2c4m h LYS 634 CO 0.01 0.98 0.17 0.74 -0.57 0.00 0.00 179.45 180.78 2c4m h PHE 635 N 0.68 0.89 -0.42 -1.35 0.04 -1.13 -2.80 116.94 112.84 2c4m h PHE 635 Ca 0.08 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.79 2c4m h PHE 635 Cb 0.81 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2c4m h PHE 635 CO 0.04 0.76 0.23 1.98 -0.60 0.00 0.00 178.31 180.72 2c4m h MET 636 N 0.78 0.45 0.00 1.51 4.05 -1.20 -1.65 114.93 118.86 2c4m h MET 636 Ca 0.18 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 2c4m h MET 636 Cb 0.28 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2c4m h MET 636 CO -0.01 0.30 -0.07 0.52 0.23 0.00 0.00 176.91 177.88 2c4m h MET 637 N 0.46 0.00 -0.70 0.39 2.86 -1.32 -2.89 114.93 113.73 2c4m h MET 637 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2c4m h MET 637 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2c4m h MET 637 CO -0.11 0.07 0.00 0.09 1.06 0.00 0.00 176.91 178.02 2c4m n ASN 638 N -3.60 4.39 0.00 1.22 3.02 -0.67 -4.83 115.26 114.79 2c4m n ASN 638 Ca -0.02 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 2c4m n ASN 638 Cb 0.18 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2c4m n ASN 638 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4m n GLY 639 N 1.40 0.58 3.72 7.41 0.00 -1.09 -4.85 105.19 112.37 2c4m n GLY 639 Ca 0.25 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2c4m n GLY 639 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4m s ALA 640 N -2.00 3.41 0.04 4.61 0.00 -0.90 -4.80 121.76 122.13 2c4m s ALA 640 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 2c4m s ALA 640 Cb 0.00 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 2c4m s ALA 640 CO 0.00 0.59 0.47 -0.51 0.00 0.00 0.00 175.76 176.32 2c4m s LEU 641 N -0.91 4.47 -0.21 0.00 1.43 0.88 -4.26 118.68 120.08 2c4m s LEU 641 Ca 0.14 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 54.04 2c4m s LEU 641 Cb -0.11 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2c4m s LEU 641 CO 0.03 0.28 0.89 -0.89 0.23 0.00 0.00 176.35 176.89 2c4m s THR 642 N -1.15 4.81 -0.35 5.49 2.01 -1.26 -0.17 115.64 125.02 2c4m s THR 642 Ca 0.27 1.73 -0.04 0.00 0.31 0.00 0.00 61.69 63.97 2c4m s THR 642 Cb -0.17 -4.18 0.07 0.00 0.01 0.00 0.00 72.50 68.23 2c4m s THR 642 CO 0.16 -0.06 0.11 -0.22 -0.69 0.00 0.00 174.62 173.92 2c4m s LEU 643 N 2.63 4.53 0.00 4.42 2.96 -0.48 -0.49 118.68 132.25 2c4m s LEU 643 Ca 0.39 -1.52 -0.19 0.00 -0.22 0.00 0.00 54.13 52.59 2c4m s LEU 643 Cb -0.16 -1.80 0.07 0.00 0.50 0.00 0.00 46.19 44.80 2c4m s LEU 643 CO 0.09 -0.39 0.92 0.61 -1.32 0.00 0.00 176.35 176.27 2c4m n GLY 644 N 4.67 0.72 3.90 7.98 0.00 -0.48 -1.42 105.19 120.55 2c4m n GLY 644 Ca -0.09 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 2c4m n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c4m s THR 645 N -2.10 4.14 -1.46 2.61 -4.23 -1.06 -1.59 115.64 111.94 2c4m s THR 645 Ca 0.20 0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 2c4m s THR 645 Cb -0.03 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.22 2c4m s THR 645 CO 0.06 -0.69 2.35 0.80 -0.54 0.00 0.00 174.62 176.60 2c4m n MET 646 N -2.56 3.29 -3.88 3.99 1.56 -1.26 -4.73 117.12 113.53 2c4m n MET 646 Ca 0.04 -2.72 -0.11 0.00 -0.27 0.00 0.00 57.70 54.64 2c4m n MET 646 Cb 0.56 -3.08 -0.10 0.00 2.15 0.00 0.00 33.22 32.76 2c4m n MET 646 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2c4m s ASP 647 N 2.39 0.05 0.83 6.12 2.15 -1.26 -4.69 116.67 122.26 2c4m s ASP 647 Ca 0.51 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.22 2c4m s ASP 647 Cb 0.14 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2c4m s ASP 647 CO -0.07 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2c4m n GLY 648 N 1.27 2.02 0.28 2.66 0.00 -0.83 -2.29 105.19 108.30 2c4m n GLY 648 Ca -0.22 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.38 2c4m n GLY 648 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4m h ALA 649 N -0.83 1.87 -0.35 4.61 0.00 -1.33 -2.29 119.26 120.94 2c4m h ALA 649 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2c4m h ALA 649 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2c4m h ALA 649 CO 0.00 -0.04 0.24 -0.91 0.00 0.00 0.00 179.25 178.53 2c4m h ASN 650 N 0.00 0.24 0.03 0.00 2.35 -1.74 -0.52 115.58 115.95 2c4m h ASN 650 Ca 0.02 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2c4m h ASN 650 Cb 0.07 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2c4m h ASN 650 CO -0.00 0.16 -0.16 0.58 -1.65 0.00 0.00 177.43 176.37 2c4m h VAL 651 N 0.28 0.63 -0.12 2.81 2.07 -1.50 -0.61 116.25 119.81 2c4m h VAL 651 Ca 0.15 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 2c4m h VAL 651 Cb 0.25 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2c4m h VAL 651 CO -0.03 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 176.82 2c4m h GLU 652 N -0.28 0.26 0.19 1.57 5.08 -1.58 -0.08 114.58 119.75 2c4m h GLU 652 Ca 0.04 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2c4m h GLU 652 Cb 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2c4m h GLU 652 CO -0.13 0.63 -0.09 0.82 -1.00 0.00 0.00 179.01 179.24 2c4m h ILE 653 N 0.22 0.89 -0.97 3.13 2.04 -0.92 -1.43 117.51 120.46 2c4m h ILE 653 Ca 0.02 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2c4m h ILE 653 Cb 0.82 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 2c4m h ILE 653 CO 0.06 0.10 0.64 0.58 0.00 0.00 0.00 178.15 179.53 2c4m h VAL 654 N -0.47 1.17 -0.34 1.67 2.07 -1.01 -0.45 116.25 118.89 2c4m h VAL 654 Ca -0.03 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2c4m h VAL 654 Cb 0.36 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2c4m h VAL 654 CO 0.04 0.22 0.23 -0.78 0.02 0.00 0.00 177.57 177.31 2c4m h ASP 655 N 1.23 0.33 0.19 0.57 3.58 -0.74 0.66 116.42 122.23 2c4m h ASP 655 Ca 0.39 -0.01 -0.35 0.00 0.42 0.00 0.00 57.03 57.48 2c4m h ASP 655 Cb 0.01 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 40.99 2c4m h ASP 655 CO -0.12 0.23 -1.75 0.28 -2.88 0.00 0.00 179.24 174.99 2c4m h SER 656 N 0.38 0.63 0.00 2.28 0.02 -0.09 -3.39 113.55 113.38 2c4m h SER 656 Ca 0.14 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2c4m h SER 656 Cb 0.08 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2c4m h SER 656 CO -0.03 1.79 -1.34 1.33 -1.14 0.00 0.00 176.83 177.45 2c4m n VAL 657 N -3.60 0.00 0.00 2.27 0.24 -0.31 -5.01 118.33 111.92 2c4m n VAL 657 Ca -0.25 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 2c4m n VAL 657 Cb 1.08 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 2c4m n VAL 657 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c4m n GLY 658 N 1.42 -0.11 0.34 7.63 0.00 0.23 -4.20 105.19 110.50 2c4m n GLY 658 Ca 0.01 -1.58 0.17 0.00 0.00 0.00 0.00 46.02 44.63 2c4m n GLY 658 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c4m h GLU 659 N 0.00 0.00 0.00 1.61 4.39 -1.92 -1.48 114.58 117.18 2c4m h GLU 659 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2c4m h GLU 659 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2c4m h GLU 659 CO 0.00 0.00 0.00 1.05 -1.16 0.00 0.00 179.01 178.90 2c4m h GLU 660 N 0.00 0.00 -0.47 2.33 9.09 -1.94 -3.24 114.58 120.35 2c4m h GLU 660 Ca 0.12 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.42 2c4m h GLU 660 Cb 0.61 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.65 2c4m h GLU 660 CO -0.00 0.00 0.08 0.09 0.05 0.00 0.00 179.01 179.23 2c4m n ASN 661 N -2.52 4.08 -3.64 3.06 3.02 -0.56 -4.97 115.26 113.73 2c4m n ASN 661 Ca 0.04 -3.23 -0.10 0.00 -0.03 0.00 0.00 54.58 51.26 2c4m n ASN 661 Cb 0.40 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 2c4m n ASN 661 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c4m s ALA 662 N -2.97 -1.14 -0.61 5.41 0.00 -1.23 -4.77 121.76 116.46 2c4m s ALA 662 Ca 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 2c4m s ALA 662 Cb 0.39 0.83 0.16 0.00 0.00 0.00 0.00 23.12 24.50 2c4m s ALA 662 CO 0.09 -0.78 0.41 0.71 0.00 0.00 0.00 175.76 176.18 2c4m s TYR 663 N -3.83 3.35 0.18 0.00 1.51 0.35 -4.92 117.35 113.99 2c4m s TYR 663 Ca 0.06 -2.88 -0.05 0.00 -1.01 0.00 0.00 57.07 53.19 2c4m s TYR 663 Cb -0.01 -3.08 -0.06 0.00 -0.11 0.00 0.00 41.96 38.70 2c4m s TYR 663 CO -0.07 -0.80 0.42 0.42 -1.11 0.00 0.00 175.55 174.42 2c4m s ILE 664 N -0.22 5.12 0.23 2.71 -1.09 -1.26 -1.39 121.20 125.29 2c4m s ILE 664 Ca 0.18 0.07 -0.10 0.00 -2.23 0.00 0.00 60.65 58.57 2c4m s ILE 664 Cb -0.21 -3.64 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2c4m s ILE 664 CO -0.03 -0.03 0.52 2.22 -1.23 0.00 0.00 174.94 176.39 2c4m n PHE 665 N -0.11 -1.73 -0.21 3.97 -1.74 -0.62 -4.92 117.46 112.10 2c4m n PHE 665 Ca -0.02 -1.11 0.03 0.00 -0.56 0.00 0.00 57.45 55.79 2c4m n PHE 665 Cb 0.52 0.55 -0.01 0.00 1.52 0.00 0.00 39.48 42.07 2c4m n PHE 665 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2c4m n GLY 666 N -0.36 -1.79 3.77 4.97 0.00 -1.26 -4.12 105.19 106.40 2c4m n GLY 666 Ca -0.05 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2c4m n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4m s ALA 667 N -1.81 3.20 0.60 4.61 0.00 -1.26 -4.90 121.76 122.20 2c4m s ALA 667 Ca 0.00 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 2c4m s ALA 667 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2c4m s ALA 667 CO 0.00 -0.72 1.02 1.03 0.00 0.00 0.00 175.76 177.09 2c4m s ARG 668 N -2.28 3.62 0.53 0.00 1.81 -1.26 -4.55 118.95 116.82 2c4m s ARG 668 Ca 0.57 0.85 0.19 0.00 -1.72 0.00 0.00 55.73 55.62 2c4m s ARG 668 Cb -0.35 -2.08 1.36 0.00 -0.45 0.00 0.00 34.95 33.43 2c4m s ARG 668 CO 0.44 -0.55 2.14 -0.24 -0.68 0.00 0.00 175.30 176.42 2c4m h VAL 669 N 0.02 0.90 0.00 3.52 3.04 -1.83 -1.30 116.25 120.60 2c4m h VAL 669 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2c4m h VAL 669 Cb 1.19 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2c4m h VAL 669 CO 0.61 0.00 0.00 1.05 -1.01 0.00 0.00 177.57 178.22 2c4m h GLU 670 N 0.00 0.00 0.00 4.17 9.09 -1.94 -3.28 114.58 122.63 2c4m h GLU 670 Ca 0.03 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.29 2c4m h GLU 670 Cb 0.14 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.21 2c4m h GLU 670 CO -0.00 0.00 -0.90 0.93 0.05 0.00 0.00 179.01 179.09 2c4m h GLU 671 N 0.00 0.00 -0.36 1.06 5.08 -1.62 -3.40 114.58 115.34 2c4m h GLU 671 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2c4m h GLU 671 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2c4m h GLU 671 CO 0.00 0.54 0.13 -0.07 -1.00 0.00 0.00 179.01 178.61 2c4m h LEU 672 N 0.00 0.47 -1.20 1.33 3.38 -1.56 -2.29 115.31 115.43 2c4m h LEU 672 Ca -0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2c4m h LEU 672 Cb 1.54 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2c4m h LEU 672 CO 0.07 0.44 0.20 -0.65 0.09 0.00 0.00 178.44 178.60 2c4m h PRO 673 N 0.51 0.76 0.04 1.13 0.11 -1.81 0.28 132.00 133.02 2c4m h PRO 673 Ca 0.13 -0.11 -0.24 0.00 0.11 0.00 0.00 66.00 65.89 2c4m h PRO 673 Cb 0.14 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2c4m h PRO 673 CO -0.01 0.63 -1.02 0.00 -0.21 0.00 0.00 178.00 177.39 2c4m h ALA 674 N 1.48 0.30 -0.26 -0.75 0.00 -1.78 -2.00 119.26 116.25 2c4m h ALA 674 Ca 0.18 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2c4m h ALA 674 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2c4m h ALA 674 CO -0.02 0.87 -0.06 -0.07 0.00 0.00 0.00 179.25 179.98 2c4m h LEU 675 N 0.17 0.50 -1.13 0.00 3.38 -0.77 -3.04 115.31 114.43 2c4m h LEU 675 Ca -0.09 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 2c4m h LEU 675 Cb 1.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2c4m h LEU 675 CO 0.17 0.75 -0.25 0.03 0.09 0.00 0.00 178.44 179.22 2c4m h ARG 676 N 0.25 0.30 -0.57 1.13 3.08 -0.55 -1.72 114.38 116.29 2c4m h ARG 676 Ca 0.07 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 60.13 2c4m h ARG 676 Cb 0.52 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 2c4m h ARG 676 CO 0.02 0.54 0.01 1.49 -1.07 0.00 0.00 179.97 180.96 2c4m h GLU 677 N 0.27 0.12 -0.65 0.04 4.22 -1.24 -1.73 114.58 115.62 2c4m h GLU 677 Ca 0.04 -0.01 -0.46 0.00 0.08 0.00 0.00 59.36 59.01 2c4m h GLU 677 Cb 0.60 -0.03 -0.34 0.00 0.50 0.00 0.00 28.75 29.48 2c4m h GLU 677 CO 0.04 0.08 -0.55 -1.13 -2.18 0.00 0.00 179.01 175.27 2c4m n SER 678 N -5.25 4.60 -4.72 1.04 3.41 -1.13 -3.85 113.62 107.72 2c4m n SER 678 Ca 0.08 -3.78 -0.42 0.00 -0.26 0.00 0.00 58.87 54.49 2c4m n SER 678 Cb 0.32 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 2c4m n SER 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2c4m s TYR 679 N -3.55 3.27 -0.51 7.33 5.04 -0.66 -4.81 117.35 123.46 2c4m s TYR 679 Ca 0.50 1.04 0.07 0.00 -2.44 0.00 0.00 57.07 56.24 2c4m s TYR 679 Cb 0.41 -3.64 0.26 0.00 0.35 0.00 0.00 41.96 39.35 2c4m s TYR 679 CO 0.02 -2.17 0.66 1.63 -1.34 0.00 0.00 175.55 174.35 2c4m n LYS 680 N 3.72 1.67 -0.28 4.97 5.02 -1.26 -0.11 118.16 131.88 2c4m n LYS 680 Ca 0.10 -3.96 -0.02 0.00 -2.02 0.00 0.00 58.31 52.42 2c4m n LYS 680 Cb 0.43 -1.76 0.16 0.00 -0.02 0.00 0.00 35.03 33.84 2c4m n LYS 680 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2c4m h PRO 681 N 3.94 1.14 0.00 1.97 0.13 -1.87 -0.98 132.00 136.32 2c4m h PRO 681 Ca 0.13 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2c4m h PRO 681 Cb 0.77 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2c4m h PRO 681 CO 0.65 0.80 -0.02 -0.92 -0.23 0.00 0.00 178.00 178.28 2c4m h TYR 682 N 1.15 0.00 -0.11 1.56 3.20 -1.78 0.43 116.97 121.43 2c4m h TYR 682 Ca 0.30 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.96 2c4m h TYR 682 Cb -0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2c4m h TYR 682 CO 0.00 0.02 -0.79 1.49 -1.64 0.00 0.00 178.16 177.25 2c4m h GLU 683 N 0.00 0.62 -0.60 1.82 4.81 -1.54 -2.40 114.58 117.28 2c4m h GLU 683 Ca -0.00 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2c4m h GLU 683 Cb 0.03 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2c4m h GLU 683 CO 0.00 1.14 0.26 -0.07 -0.73 0.00 0.00 179.01 179.61 2c4m h LEU 684 N 0.41 0.81 -0.75 1.64 3.38 -0.86 0.24 115.31 120.18 2c4m h LEU 684 Ca -0.05 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.88 2c4m h LEU 684 Cb 1.40 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 2c4m h LEU 684 CO 0.15 0.74 0.36 0.22 0.09 0.00 0.00 178.44 180.00 2c4m h TYR 685 N 0.82 0.63 0.00 1.13 3.20 -0.81 -0.22 116.97 121.73 2c4m h TYR 685 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2c4m h TYR 685 Cb 0.17 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2c4m h TYR 685 CO 0.01 0.18 -0.38 0.93 -1.64 0.00 0.00 178.16 177.25 2c4m h GLU 686 N 0.57 0.00 0.00 1.82 4.39 -0.89 -3.01 114.58 117.46 2c4m h GLU 686 Ca 0.39 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.92 2c4m h GLU 686 Cb 0.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2c4m h GLU 686 CO -0.32 0.00 -1.42 0.25 -1.16 0.00 0.00 179.01 176.36 2c4m n THR 687 N -2.58 1.07 -1.66 1.13 -2.24 0.80 -4.94 114.28 105.86 2c4m n THR 687 Ca 0.03 -0.05 -0.51 0.00 -2.27 0.00 0.00 64.05 61.26 2c4m n THR 687 Cb 0.49 -1.83 -0.05 0.00 -2.10 0.00 0.00 70.33 66.83 2c4m n THR 687 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2c4m n VAL 688 N -3.84 0.48 -1.65 2.28 0.31 -0.20 -4.78 118.33 110.92 2c4m n VAL 688 Ca -0.23 -0.12 -0.50 0.00 -0.01 0.00 0.00 64.34 63.48 2c4m n VAL 688 Cb 0.57 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.72 2c4m n VAL 688 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2c4m n PRO 689 N 6.61 1.70 0.00 5.55 -0.02 -1.26 -1.56 135.00 146.01 2c4m n PRO 689 Ca 0.26 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2c4m n PRO 689 Cb 0.26 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2c4m n PRO 689 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c4m n GLY 690 N 3.32 2.71 0.31 -1.23 0.00 -1.26 -4.86 105.19 104.18 2c4m n GLY 690 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.14 2c4m n GLY 690 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c4m h LEU 691 N 0.00 0.47 -0.34 0.99 5.85 -1.58 0.59 115.31 121.28 2c4m h LEU 691 Ca 0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2c4m h LEU 691 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2c4m h LEU 691 CO 0.00 0.34 -0.26 0.50 -0.34 0.00 0.00 178.44 178.68 2c4m h LYS 692 N 0.55 0.78 -0.14 1.25 3.64 -1.68 -1.96 116.57 119.00 2c4m h LYS 692 Ca 0.15 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 2c4m h LYS 692 Cb -0.05 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2c4m h LYS 692 CO -0.03 1.00 -0.36 -0.09 -2.27 0.00 0.00 179.45 177.70 2c4m h ARG 693 N 0.55 0.30 0.57 1.90 2.43 -1.73 -1.60 114.38 116.80 2c4m h ARG 693 Ca 0.06 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2c4m h ARG 693 Cb 0.82 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2c4m h ARG 693 CO 0.07 0.63 -0.27 0.00 -1.51 0.00 0.00 179.97 178.88 2c4m h ALA 694 N 1.37 -0.77 -0.21 2.80 0.00 -0.71 -2.88 119.26 118.87 2c4m h ALA 694 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2c4m h ALA 694 Cb 0.76 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2c4m h ALA 694 CO 0.06 -0.82 -0.25 -0.07 0.00 0.00 0.00 179.25 178.18 2c4m h LEU 695 N -0.99 0.38 -1.81 0.00 3.38 -1.36 -1.52 115.31 113.38 2c4m h LEU 695 Ca -0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2c4m h LEU 695 Cb 0.65 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2c4m h LEU 695 CO 0.13 0.63 -0.05 0.44 0.09 0.00 0.00 178.44 179.68 2c4m h ASP 696 N 0.34 0.00 0.57 -0.43 3.32 -1.36 -2.49 116.42 116.38 2c4m h ASP 696 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2c4m h ASP 696 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2c4m h ASP 696 CO 0.04 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 2c4m n ALA 697 N -2.14 1.52 0.10 3.45 0.00 -0.57 -1.14 120.51 121.72 2c4m n ALA 697 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 2c4m n ALA 697 Cb 0.26 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.35 2c4m n ALA 697 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2c4m h LEU 698 N 0.00 0.05 -1.65 0.00 4.07 -1.55 -3.00 115.31 113.23 2c4m h LEU 698 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2c4m h LEU 698 Cb 0.29 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2c4m h LEU 698 CO 0.00 0.84 0.00 -0.90 -1.08 0.00 0.00 178.44 177.30 2c4m n ASP 699 N -3.60 0.88 -0.52 -0.43 5.75 -1.02 -4.46 116.55 113.16 2c4m n ASP 699 Ca -0.01 -1.38 0.09 0.00 -0.01 0.00 0.00 54.79 53.48 2c4m n ASP 699 Cb 0.78 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 41.22 2c4m n ASP 699 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2c4m n ASN 700 N -0.19 1.54 0.00 -1.12 0.23 -0.29 -4.90 115.26 110.53 2c4m n ASN 700 Ca 0.00 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 2c4m n ASN 700 Cb 0.32 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2c4m n ASN 700 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2c4m n GLY 701 N 1.08 0.57 0.12 4.83 0.00 -1.26 -4.94 105.19 105.58 2c4m n GLY 701 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2c4m n GLY 701 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2c4m h THR 702 N 0.00 1.12 -2.24 2.61 2.02 -1.89 -3.43 112.91 111.11 2c4m h THR 702 Ca 0.00 -0.35 -0.47 0.00 0.77 0.00 0.00 66.41 66.36 2c4m h THR 702 Cb 0.00 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2c4m h THR 702 CO 0.00 0.12 -0.44 -0.76 0.37 0.00 0.00 175.52 174.81 2c4m s LEU 703 N -9.96 4.31 -0.25 2.58 1.43 -1.13 -5.02 118.68 110.65 2c4m s LEU 703 Ca -0.13 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2c4m s LEU 703 Cb 0.08 -2.86 0.05 0.00 0.03 0.00 0.00 46.19 43.49 2c4m s LEU 703 CO 0.70 -0.05 -0.12 0.21 0.23 0.00 0.00 176.35 177.32 2c4m s ASN 704 N -3.88 4.26 -0.24 2.29 2.47 -1.26 -4.94 114.94 113.65 2c4m s ASN 704 Ca 0.34 -1.27 0.14 0.00 0.42 0.00 0.00 52.86 52.49 2c4m s ASN 704 Cb -0.09 -1.55 0.82 0.00 -1.45 0.00 0.00 41.25 38.98 2c4m s ASN 704 CO 0.29 -0.16 1.75 -0.90 -3.72 0.00 0.00 177.10 174.36 2c4m n ASP 705 N 4.47 5.73 -3.93 -4.21 5.68 -1.26 -4.85 116.55 118.18 2c4m n ASP 705 Ca -0.15 -2.93 -0.28 0.00 -0.50 0.00 0.00 54.79 50.93 2c4m n ASP 705 Cb 0.43 -0.68 0.01 0.00 -1.14 0.00 0.00 41.12 39.74 2c4m n ASP 705 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2c4m n ASN 706 N 0.61 -2.54 -0.33 -1.12 4.13 -1.26 -1.57 115.26 113.19 2c4m n ASN 706 Ca 0.28 -0.89 -0.04 0.00 1.68 0.00 0.00 54.58 55.61 2c4m n ASN 706 Cb 1.20 -3.53 -0.02 0.00 -1.54 0.00 0.00 39.78 35.89 2c4m n ASN 706 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2c4m n ASN 707 N -2.90 -4.39 0.12 6.41 3.02 -1.26 -4.86 115.26 111.41 2c4m n ASN 707 Ca -0.12 0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2c4m n ASN 707 Cb 0.60 -2.26 -0.00 0.00 -0.61 0.00 0.00 39.78 37.50 2c4m n ASN 707 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2c4m h SER 708 N 0.00 0.00 0.00 6.41 4.64 -1.71 -3.47 113.55 119.41 2c4m h SER 708 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2c4m h SER 708 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2c4m h SER 708 CO 0.13 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 2c4m n GLY 709 N 1.25 0.75 0.25 -0.77 0.00 -1.26 -4.92 105.19 100.49 2c4m n GLY 709 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2c4m n GLY 709 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2c4m h LEU 710 N 0.00 0.69 -0.72 0.99 3.38 -1.92 -3.06 115.31 114.68 2c4m h LEU 710 Ca 0.00 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 2c4m h LEU 710 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2c4m h LEU 710 CO 0.00 0.94 -0.34 -0.26 0.09 0.00 0.00 178.44 178.86 2c4m h PHE 711 N 0.58 0.70 -0.43 1.13 0.04 -1.91 -1.94 116.94 115.10 2c4m h PHE 711 Ca 0.07 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.55 2c4m h PHE 711 Cb 0.78 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 2c4m h PHE 711 CO 0.04 0.86 -0.18 -0.92 -0.60 0.00 0.00 178.31 177.51 2c4m h TYR 712 N 0.51 0.94 -0.47 -0.55 5.03 -1.77 -1.17 116.97 119.49 2c4m h TYR 712 Ca 0.06 -0.20 0.01 0.00 2.58 0.00 0.00 58.73 61.17 2c4m h TYR 712 Cb 0.83 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 2c4m h TYR 712 CO 0.03 0.95 0.29 0.22 -1.32 0.00 0.00 178.16 178.34 2c4m h ASP 713 N 0.74 0.49 0.02 -2.11 3.58 -1.40 -2.56 116.42 115.18 2c4m h ASP 713 Ca 0.11 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.57 2c4m h ASP 713 Cb 0.70 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2c4m h ASP 713 CO 0.05 0.35 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.58 2c4m h LEU 714 N 0.59 -0.33 -0.68 2.28 3.38 -1.09 -0.90 115.31 118.56 2c4m h LEU 714 Ca 0.18 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.34 2c4m h LEU 714 Cb -0.02 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.76 2c4m h LEU 714 CO -0.06 -0.17 0.11 0.50 0.09 0.00 0.00 178.44 178.91 2c4m h LYS 715 N -0.21 0.21 0.00 1.13 3.64 -1.07 -0.25 116.57 120.02 2c4m h LYS 715 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2c4m h LYS 715 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2c4m h LYS 715 CO -0.10 0.14 -0.22 0.72 -2.27 0.00 0.00 179.45 177.72 2c4m n HIS 716 N -5.19 0.24 0.45 1.91 8.25 -0.98 -2.13 115.22 117.77 2c4m n HIS 716 Ca 0.12 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 2c4m n HIS 716 Cb 0.41 -0.53 0.47 0.00 1.12 0.00 0.00 29.99 31.45 2c4m n HIS 716 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2c4m n SER 717 N -1.72 0.63 -0.12 0.41 3.41 -0.13 -1.96 113.62 114.14 2c4m n SER 717 Ca 0.06 0.64 -0.19 0.00 -0.26 0.00 0.00 58.87 59.12 2c4m n SER 717 Cb 0.37 -0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 2c4m n SER 717 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c4m n LEU 718 N -2.17 2.71 0.02 1.04 4.77 -0.96 -1.74 117.00 120.66 2c4m n LEU 718 Ca 0.03 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2c4m n LEU 718 Cb 0.26 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 2c4m n LEU 718 CO 0.21 0.82 -0.16 2.30 -1.33 0.00 0.00 177.39 179.23 2c4m n ILE 719 N -3.41 0.12 -2.38 -0.08 -5.35 -0.90 -4.14 119.36 103.22 2c4m n ILE 719 Ca -0.44 -0.26 -0.35 0.00 -0.27 0.00 0.00 62.75 61.43 2c4m n ILE 719 Cb 0.93 0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 39.10 2c4m n ILE 719 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2c4m s HIS 720 N -3.23 2.90 0.06 4.28 2.46 -0.83 -3.57 115.29 117.36 2c4m s HIS 720 Ca 0.02 1.57 0.00 0.00 0.47 0.00 0.00 55.06 57.12 2c4m s HIS 720 Cb 0.14 -3.23 0.00 0.00 -0.13 0.00 0.00 32.58 29.37 2c4m s HIS 720 CO 0.83 -1.21 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 2c4m n GLY 721 N 0.15 -1.75 3.73 1.59 0.00 -1.26 -1.83 105.19 105.81 2c4m n GLY 721 Ca 0.09 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 2c4m n GLY 721 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2c4m s TYR 722 N -0.60 -0.21 0.00 1.61 -0.85 -1.26 -4.45 117.35 111.59 2c4m s TYR 722 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 2c4m s TYR 722 Cb 0.00 0.65 0.00 0.00 0.38 0.00 0.00 41.96 42.99 2c4m s TYR 722 CO 0.00 -0.94 0.00 0.41 -1.52 0.00 0.00 175.55 173.50 2c4m n GLY 723 N -0.44 -0.94 0.15 5.49 0.00 0.84 -2.64 105.19 107.65 2c4m n GLY 723 Ca -0.07 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.93 2c4m n GLY 723 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c4m n LYS 724 N -0.75 0.14 -0.59 1.61 2.85 -0.68 -0.69 118.16 120.06 2c4m n LYS 724 Ca 0.00 0.60 0.09 0.00 -1.05 0.00 0.00 58.31 57.95 2c4m n LYS 724 Cb 0.00 -1.92 0.34 0.00 -0.65 0.00 0.00 35.03 32.80 2c4m n LYS 724 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2c4m n ASP 725 N -2.21 4.63 -4.70 -5.58 8.00 -1.22 -4.98 116.55 110.49 2c4m n ASP 725 Ca -0.01 -2.48 -0.37 0.00 0.71 0.00 0.00 54.79 52.64 2c4m n ASP 725 Cb 0.06 -0.56 0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2c4m n ASP 725 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c4m n ALA 726 N 0.95 0.92 -0.03 2.24 0.00 0.14 -4.58 120.51 120.15 2c4m n ALA 726 Ca 0.25 0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.67 2c4m n ALA 726 Cb 0.87 -2.27 0.19 0.00 0.00 0.00 0.00 19.45 18.25 2c4m n ALA 726 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2c4m h SER 727 N 0.62 0.59 -0.14 0.00 0.02 -1.59 -3.34 113.55 109.71 2c4m h SER 727 Ca -0.50 -0.17 -0.50 0.00 -0.84 0.00 0.00 61.79 59.78 2c4m h SER 727 Cb 1.34 -0.16 0.04 0.00 0.14 0.00 0.00 62.40 63.76 2c4m h SER 727 CO 0.53 0.76 1.60 -0.67 -1.14 0.00 0.00 176.83 177.91 2c4m n ASP 728 N -4.17 2.31 -0.12 3.07 2.03 -0.71 -4.70 116.55 114.26 2c4m n ASP 728 Ca 0.01 -2.64 0.23 0.00 0.52 0.00 0.00 54.79 52.91 2c4m n ASP 728 Cb 0.36 -1.24 0.65 0.00 -0.72 0.00 0.00 41.12 40.18 2c4m n ASP 728 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2c4m h THR 729 N 5.23 0.66 -0.37 5.18 2.02 -1.82 -2.89 112.91 120.92 2c4m h THR 729 Ca 0.30 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 67.27 2c4m h THR 729 Cb 0.78 0.55 -0.10 0.00 -1.74 0.00 0.00 68.15 67.63 2c4m h THR 729 CO 1.69 0.02 -0.03 -1.22 0.37 0.00 0.00 175.52 176.35 2c4m n TYR 730 N -4.37 1.16 -3.96 3.16 4.01 -1.26 -4.93 117.16 110.96 2c4m n TYR 730 Ca 0.15 -1.51 -0.29 0.00 -0.16 0.00 0.00 57.90 56.09 2c4m n TYR 730 Cb 0.74 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2c4m n TYR 730 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2c4m n TYR 731 N -1.04 -1.97 -0.02 -0.72 9.36 -1.09 -4.72 117.16 116.97 2c4m n TYR 731 Ca 0.33 0.84 -0.13 0.00 3.32 0.00 0.00 57.90 62.26 2c4m n TYR 731 Cb 1.05 -3.75 -0.10 0.00 -0.63 0.00 0.00 39.34 35.91 2c4m n TYR 731 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2c4m h VAL 732 N -1.86 1.41 -0.40 2.97 2.07 -1.92 -2.02 116.25 116.51 2c4m h VAL 732 Ca -0.60 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 65.49 2c4m h VAL 732 Cb 1.37 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 2c4m h VAL 732 CO 0.67 0.35 -0.02 -0.07 0.02 0.00 0.00 177.57 178.52 2c4m h LEU 733 N -0.62 0.61 -1.31 2.57 3.38 -1.90 -1.32 115.31 116.71 2c4m h LEU 733 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2c4m h LEU 733 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2c4m h LEU 733 CO 0.00 0.69 0.41 1.23 0.09 0.00 0.00 178.44 180.87 2c4m h GLY 734 N 0.92 0.93 0.28 0.83 0.00 -1.92 -2.91 103.07 101.21 2c4m h GLY 734 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2c4m h GLY 734 CO 0.02 0.36 -0.98 1.22 0.00 0.00 0.00 176.54 177.16 2c4m n ASP 735 N -4.42 0.77 -0.24 0.19 8.00 -0.77 -4.58 116.55 115.51 2c4m n ASP 735 Ca 0.07 -0.67 0.04 0.00 0.71 0.00 0.00 54.79 54.94 2c4m n ASP 735 Cb 0.06 0.90 0.16 0.00 -0.02 0.00 0.00 41.12 42.21 2c4m n ASP 735 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2c4m h PHE 736 N 0.00 0.42 -0.34 1.24 3.57 -1.03 0.86 116.94 121.66 2c4m h PHE 736 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2c4m h PHE 736 Cb 0.57 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2c4m h PHE 736 CO 0.00 0.04 0.21 0.00 -2.23 0.00 0.00 178.31 176.33 2c4m h ALA 737 N 1.52 0.43 -0.15 2.41 0.00 -1.81 0.85 119.26 122.52 2c4m h ALA 737 Ca 0.38 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 2c4m h ALA 737 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2c4m h ALA 737 CO -0.40 -0.09 -0.51 0.22 0.00 0.00 0.00 179.25 178.47 2c4m h ASP 738 N 0.44 0.45 -0.25 0.00 3.58 -1.75 -2.10 116.42 116.80 2c4m h ASP 738 Ca 0.12 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2c4m h ASP 738 Cb -0.02 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2c4m h ASP 738 CO -0.02 0.89 0.09 0.22 -2.88 0.00 0.00 179.24 177.53 2c4m h TYR 739 N 0.32 0.39 -0.49 0.28 3.20 -0.45 -1.71 116.97 118.51 2c4m h TYR 739 Ca 0.01 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2c4m h TYR 739 Cb 1.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2c4m h TYR 739 CO 0.03 0.43 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.83 2c4m h ARG 740 N 0.24 0.86 0.06 1.82 2.43 -0.79 0.07 114.38 119.08 2c4m h ARG 740 Ca 0.08 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2c4m h ARG 740 Cb 0.21 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2c4m h ARG 740 CO -0.00 0.90 -0.04 1.49 -1.51 0.00 0.00 179.97 180.80 2c4m h GLU 741 N 0.79 -0.09 -0.26 0.20 4.22 -1.23 -0.55 114.58 117.65 2c4m h GLU 741 Ca 0.14 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.52 2c4m h GLU 741 Cb 0.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2c4m h GLU 741 CO 0.03 -0.06 -0.10 1.15 -2.18 0.00 0.00 179.01 177.85 2c4m h THR 742 N -0.10 1.29 -0.87 0.32 2.02 -1.17 -1.31 112.91 113.09 2c4m h THR 742 Ca -0.00 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 2c4m h THR 742 Cb 0.08 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2c4m h THR 742 CO 0.00 0.36 0.45 -0.09 0.37 0.00 0.00 175.52 176.62 2c4m h ARG 743 N 0.27 1.22 -0.26 6.66 2.43 -0.94 0.10 114.38 123.87 2c4m h ARG 743 Ca 0.06 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2c4m h ARG 743 Cb 0.60 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2c4m h ARG 743 CO 0.03 0.91 0.08 -0.44 -1.51 0.00 0.00 179.97 179.04 2c4m h ASP 744 N 1.22 0.39 -0.44 -3.80 3.32 -1.01 -1.81 116.42 114.28 2c4m h ASP 744 Ca 0.30 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.19 2c4m h ASP 744 Cb 0.06 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2c4m h ASP 744 CO -0.04 0.50 0.19 -0.09 -1.72 0.00 0.00 179.24 178.07 2c4m h ARG 745 N 0.26 0.37 -0.65 3.56 2.43 -0.80 -1.32 114.38 118.22 2c4m h ARG 745 Ca 0.08 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2c4m h ARG 745 Cb 0.25 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2c4m h ARG 745 CO -0.00 0.25 0.37 1.98 -1.51 0.00 0.00 179.97 181.05 2c4m h MET 746 N 0.38 0.67 0.00 0.20 4.05 -0.62 0.11 114.93 119.72 2c4m h MET 746 Ca 0.20 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.54 2c4m h MET 746 Cb 0.15 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2c4m h MET 746 CO -0.17 0.44 -0.21 0.00 0.23 0.00 0.00 176.91 177.20 2c4m h ALA 747 N 1.33 1.23 0.06 0.39 0.00 -0.88 -2.50 119.26 118.90 2c4m h ALA 747 Ca 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2c4m h ALA 747 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2c4m h ALA 747 CO -0.17 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 2c4m h ALA 748 N 1.79 -0.08 -0.38 0.00 0.00 0.27 -2.61 119.26 118.25 2c4m h ALA 748 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 2c4m h ALA 748 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2c4m h ALA 748 CO 0.03 -0.19 0.52 -0.44 0.00 0.00 0.00 179.25 179.17 2c4m h ASP 749 N -0.79 0.00 -0.00 0.00 5.19 -1.00 -0.82 116.42 118.99 2c4m h ASP 749 Ca -0.01 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 2c4m h ASP 749 Cb 0.62 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.14 2c4m h ASP 749 CO 0.01 0.00 -0.36 0.22 -3.12 0.00 0.00 179.24 176.00 2c4m h TYR 750 N 0.00 0.36 0.00 4.55 3.20 -1.16 -2.03 116.97 121.89 2c4m h TYR 750 Ca 0.18 -0.20 -0.17 0.00 3.14 0.00 0.00 58.73 61.68 2c4m h TYR 750 Cb 1.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 2c4m h TYR 750 CO 0.00 1.00 -0.81 0.00 -1.64 0.00 0.00 178.16 176.71 2c4m h ALA 751 N 0.28 0.63 0.00 1.82 0.00 -1.03 -3.36 119.26 117.60 2c4m h ALA 751 Ca -0.04 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 53.91 2c4m h ALA 751 Cb 1.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2c4m h ALA 751 CO 0.07 1.02 -1.60 -1.13 0.00 0.00 0.00 179.25 177.61 2c4m n SER 752 N -3.54 0.76 -3.29 0.00 3.41 -0.38 -4.62 113.62 105.96 2c4m n SER 752 Ca -0.00 0.34 -0.25 0.00 -0.26 0.00 0.00 58.87 58.70 2c4m n SER 752 Cb 0.79 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 2c4m n SER 752 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2c4m n ASP 753 N -2.89 1.57 -0.16 4.04 2.03 -0.76 -4.97 116.55 115.40 2c4m n ASP 753 Ca -0.13 -2.98 -0.02 0.00 0.52 0.00 0.00 54.79 52.18 2c4m n ASP 753 Cb 0.91 -0.65 0.07 0.00 -0.72 0.00 0.00 41.12 40.73 2c4m n ASP 753 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2c4m h PRO 754 N 4.12 0.15 -0.18 -0.67 0.11 -1.76 0.35 132.00 134.12 2c4m h PRO 754 Ca 0.13 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 2c4m h PRO 754 Cb 0.80 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2c4m h PRO 754 CO 0.61 0.10 -0.35 -0.07 -0.21 0.00 0.00 178.00 178.07 2c4m h LEU 755 N 0.16 0.41 -0.81 2.35 -0.00 -1.94 -1.36 115.31 114.12 2c4m h LEU 755 Ca 0.26 -0.16 -0.10 0.00 -0.00 0.00 0.00 57.88 57.87 2c4m h LEU 755 Cb 0.38 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2c4m h LEU 755 CO -0.39 0.73 -0.21 1.23 -0.00 0.00 0.00 178.44 179.81 2c4m h GLY 756 N 1.11 0.72 0.61 0.83 0.00 -1.67 -1.08 103.07 103.59 2c4m h GLY 756 Ca 0.04 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2c4m h GLY 756 CO 0.06 0.54 -0.01 -0.25 0.00 0.00 0.00 176.54 176.88 2c4m h TRP 757 N 0.59 -0.02 -0.45 5.60 2.91 -0.69 -2.53 115.95 121.36 2c4m h TRP 757 Ca 0.09 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.21 2c4m h TRP 757 Cb 0.68 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.31 2c4m h TRP 757 CO 0.03 0.37 0.32 0.00 -1.03 0.00 0.00 178.44 178.12 2c4m h ALA 758 N 0.57 2.24 -0.25 2.65 0.00 -1.15 -1.27 119.26 122.05 2c4m h ALA 758 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2c4m h ALA 758 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2c4m h ALA 758 CO 0.00 -0.36 -0.15 -0.09 0.00 0.00 0.00 179.25 178.66 2c4m h ARG 759 N 0.14 0.53 -0.83 0.00 2.43 -0.92 -1.19 114.38 114.55 2c4m h ARG 759 Ca 0.21 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2c4m h ARG 759 Cb 0.66 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2c4m h ARG 759 CO -0.03 0.81 0.37 0.52 -1.51 0.00 0.00 179.97 180.14 2c4m h MET 760 N 0.25 1.21 -0.77 0.20 2.86 -0.87 -1.72 114.93 116.08 2c4m h MET 760 Ca 0.05 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2c4m h MET 760 Cb 0.66 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2c4m h MET 760 CO 0.04 0.94 0.42 0.00 1.06 0.00 0.00 176.91 179.37 2c4m h ALA 761 N 1.22 0.98 -0.57 6.32 0.00 -1.13 -1.76 119.26 124.32 2c4m h ALA 761 Ca 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2c4m h ALA 761 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2c4m h ALA 761 CO -0.03 0.50 0.13 2.35 0.00 0.00 0.00 179.25 182.20 2c4m h TRP 762 N 1.06 0.97 -0.60 0.00 2.91 -0.75 -1.33 115.95 118.21 2c4m h TRP 762 Ca 0.27 -0.12 0.03 0.00 1.13 0.00 0.00 58.89 60.20 2c4m h TRP 762 Cb 0.04 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.38 2c4m h TRP 762 CO 0.00 0.83 0.37 0.82 -1.03 0.00 0.00 178.44 179.43 2c4m h ILE 763 N 0.82 1.06 0.09 2.65 1.08 -0.96 -0.51 117.51 121.75 2c4m h ILE 763 Ca 0.18 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2c4m h ILE 763 Cb 0.36 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2c4m h ILE 763 CO 0.00 0.13 -0.04 0.78 -0.69 0.00 0.00 178.15 178.33 2c4m h ASN 764 N 0.72 -0.10 0.17 1.72 2.35 -1.00 -1.72 115.58 117.70 2c4m h ASN 764 Ca 0.24 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2c4m h ASN 764 Cb 0.03 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2c4m h ASN 764 CO -0.11 -0.02 -0.32 0.40 -1.65 0.00 0.00 177.43 175.73 2c4m h ILE 765 N -0.18 0.32 0.00 2.81 2.04 -0.99 -0.97 117.51 120.54 2c4m h ILE 765 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2c4m h ILE 765 Cb 0.15 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2c4m h ILE 765 CO 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.14 2c4m n GLU 767 N -4.11 1.42 0.10 0.00 -0.58 -0.66 -2.43 120.64 114.37 2c4m n GLU 767 Ca -0.03 -1.01 0.10 0.00 -0.42 0.00 0.00 57.16 55.80 2c4m n GLU 767 Cb 0.12 -1.48 0.43 0.00 -0.57 0.00 0.00 31.44 29.94 2c4m n GLU 767 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2c4m n SER 768 N 0.09 0.46 0.18 1.62 3.41 -0.41 -2.96 113.62 116.01 2c4m n SER 768 Ca 0.13 0.63 0.19 0.00 -0.26 0.00 0.00 58.87 59.56 2c4m n SER 768 Cb 0.43 -0.72 0.78 0.00 -0.26 0.00 0.00 64.21 64.44 2c4m n SER 768 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c4m h GLY 769 N 2.00 0.00 2.00 5.00 0.00 -1.75 0.20 103.07 110.51 2c4m h GLY 769 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2c4m h GLY 769 CO 0.00 0.00 -0.06 -0.09 0.00 0.00 0.00 176.54 176.39 2c4m h ARG 770 N 0.00 0.00 -0.54 4.80 2.43 -1.87 -2.80 114.38 116.41 2c4m h ARG 770 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2c4m h ARG 770 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2c4m h ARG 770 CO -0.00 0.06 0.00 1.19 -1.51 0.00 0.00 179.97 179.71 2c4m n PHE 771 N -3.77 1.71 -2.60 2.20 3.72 0.69 -4.96 117.46 114.45 2c4m n PHE 771 Ca -0.02 -0.72 -0.41 0.00 -0.05 0.00 0.00 57.45 56.25 2c4m n PHE 771 Cb 0.15 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 2c4m n PHE 771 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2c4m s SER 772 N -1.01 7.37 0.00 4.37 0.15 -1.06 -0.41 113.70 123.11 2c4m s SER 772 Ca 0.51 1.97 0.17 0.00 0.70 0.00 0.00 55.95 59.30 2c4m s SER 772 Cb 0.38 -2.60 0.75 0.00 -1.71 0.00 0.00 66.02 62.84 2c4m s SER 772 CO 0.17 -0.15 1.53 -1.54 1.20 0.00 0.00 173.24 174.45 2c4m n SER 773 N 2.53 0.00 -0.17 5.45 3.41 0.11 -2.36 113.62 122.59 2c4m n SER 773 Ca 0.02 0.38 -0.06 0.00 -0.26 0.00 0.00 58.87 58.96 2c4m n SER 773 Cb 0.47 -0.45 0.10 0.00 -0.26 0.00 0.00 64.21 64.08 2c4m n SER 773 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2c4m h ASP 774 N 0.00 0.91 -0.31 4.04 3.32 -1.91 0.62 116.42 123.08 2c4m h ASP 774 Ca 0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 2c4m h ASP 774 Cb 0.25 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2c4m h ASP 774 CO 0.00 0.95 -0.28 -0.09 -1.72 0.00 0.00 179.24 178.10 2c4m h ARG 775 N 0.88 0.82 0.05 3.56 2.43 -1.83 -0.41 114.38 119.89 2c4m h ARG 775 Ca 0.17 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2c4m h ARG 775 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2c4m h ARG 775 CO 0.02 1.00 -0.02 1.15 -1.51 0.00 0.00 179.97 180.61 2c4m h THR 776 N 0.70 1.02 -0.72 0.20 2.02 -1.46 -1.81 112.91 112.87 2c4m h THR 776 Ca 0.08 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2c4m h THR 776 Cb 0.82 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2c4m h THR 776 CO 0.07 0.06 0.37 0.40 0.37 0.00 0.00 175.52 176.78 2c4m h ILE 777 N -0.16 1.23 -0.46 3.11 1.08 -0.82 0.55 117.51 122.04 2c4m h ILE 777 Ca -0.01 -0.62 0.08 0.00 -0.39 0.00 0.00 64.86 63.92 2c4m h ILE 777 Cb 0.14 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.13 2c4m h ILE 777 CO 0.01 0.27 0.02 -0.09 -0.69 0.00 0.00 178.15 177.67 2c4m h ARG 778 N 1.01 0.13 0.21 2.37 2.43 -0.89 0.34 114.38 119.98 2c4m h ARG 778 Ca 0.25 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2c4m h ARG 778 Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2c4m h ARG 778 CO -0.03 0.09 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.97 2c4m h ASP 779 N 0.14 -0.24 -0.59 -3.80 3.32 -0.77 0.31 116.42 114.79 2c4m h ASP 779 Ca 0.23 -0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.36 2c4m h ASP 779 Cb 0.33 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.82 2c4m h ASP 779 CO -0.36 -0.13 -0.25 1.88 -1.72 0.00 0.00 179.24 178.66 2c4m h TYR 780 N -0.33 -0.63 -0.19 4.55 0.05 -0.66 -1.16 116.97 118.60 2c4m h TYR 780 Ca -0.03 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2c4m h TYR 780 Cb 0.25 0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 2c4m h TYR 780 CO -0.05 -0.33 0.08 0.00 -1.05 0.00 0.00 178.16 176.81 2c4m h ALA 781 N 1.29 0.24 0.05 3.88 0.00 0.09 0.27 119.26 125.08 2c4m h ALA 781 Ca 0.26 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 2c4m h ALA 781 Cb 0.51 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2c4m h ALA 781 CO -0.65 -0.18 -1.11 1.79 0.00 0.00 0.00 179.25 179.10 2c4m h THR 782 N 0.16 1.32 0.07 0.00 1.35 -0.43 0.47 112.91 115.85 2c4m h THR 782 Ca 0.06 -2.40 -0.34 0.00 -0.55 0.00 0.00 66.41 63.18 2c4m h THR 782 Cb 0.15 2.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.06 2c4m h THR 782 CO -0.01 0.73 -1.93 -0.62 -0.25 0.00 0.00 175.52 173.45 2c4m n GLU 783 N -3.79 0.71 -0.08 4.72 1.02 -0.44 -4.32 120.64 118.45 2c4m n GLU 783 Ca -0.11 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 2c4m n GLU 783 Cb 0.92 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 2c4m n GLU 783 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2c4m n ILE 784 N -3.29 1.34 0.10 -3.67 5.41 0.79 -4.74 119.36 115.30 2c4m n ILE 784 Ca -0.27 0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.45 2c4m n ILE 784 Cb 1.05 -2.03 0.02 0.00 -0.71 0.00 0.00 39.64 37.97 2c4m n ILE 784 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2c4m h TRP 785 N -0.77 0.00 -4.68 1.39 6.55 -1.19 -3.48 115.95 113.76 2c4m h TRP 785 Ca -0.21 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.43 2c4m h TRP 785 Cb 1.04 0.00 0.13 0.00 -0.86 0.00 0.00 29.16 29.47 2c4m h TRP 785 CO -0.23 0.81 -0.59 1.63 -1.05 0.00 0.00 178.44 179.01 2c4m n LYS 786 N -3.56 -2.84 -3.65 0.49 4.76 0.15 -4.88 118.16 108.62 2c4m n LYS 786 Ca -0.01 0.61 -0.20 0.00 -2.87 0.00 0.00 58.31 55.85 2c4m n LYS 786 Cb 0.78 -4.71 -0.02 0.00 -1.84 0.00 0.00 35.03 29.24 2c4m n LYS 786 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c4m s LEU 787 N -4.86 3.74 0.06 -0.35 1.43 -0.15 -4.98 118.68 113.57 2c4m s LEU 787 Ca 0.20 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2c4m s LEU 787 Cb -0.03 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2c4m s LEU 787 CO 0.52 -0.41 -0.22 -1.61 0.23 0.00 0.00 176.35 174.86 2c4m s GLU 788 N -4.08 1.43 0.22 1.70 0.41 -1.26 -4.69 118.70 112.43 2c4m s GLU 788 Ca 0.43 -1.03 -0.32 0.00 -0.41 0.00 0.00 54.97 53.64 2c4m s GLU 788 Cb -0.07 -1.60 -0.13 0.00 -1.78 0.00 0.00 34.13 30.55 2c4m s GLU 788 CO 0.29 0.40 1.59 -2.30 -0.49 0.00 0.00 175.26 174.75 2c4m n PRO 789 N 1.66 2.45 -3.66 0.39 -0.02 -1.26 -4.49 135.00 130.06 2c4m n PRO 789 Ca -0.17 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 2c4m n PRO 789 Cb 0.53 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 2c4m n PRO 789 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2c4m s THR 790 N 0.59 1.38 0.45 3.45 2.01 0.39 -4.98 115.64 118.93 2c4m s THR 790 Ca 0.72 -2.88 -0.23 0.00 0.31 0.00 0.00 61.69 59.61 2c4m s THR 790 Cb -0.58 -1.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.91 2c4m s THR 790 CO 0.41 -1.01 1.21 -2.16 -0.69 0.00 0.00 174.62 172.38 2c4m s PRO 791 N -0.05 3.75 0.55 4.92 0.04 -1.26 -4.78 135.00 138.18 2c4m s PRO 791 Ca 0.23 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 2c4m s PRO 791 Cb -0.13 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 2c4m s PRO 791 CO -0.08 -0.59 1.02 0.00 0.04 0.00 0.00 177.00 177.39 2c4m s ALA 792 N -1.46 2.90 0.00 8.56 0.00 -1.26 -4.91 121.76 125.59 2c4m s ALA 792 Ca 0.63 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2c4m s ALA 792 Cb -0.32 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2c4m s ALA 792 CO 0.39 -0.53 0.00 1.33 0.00 0.00 0.00 175.76 176.95