#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wek s LYS 4 N 0.00 0.38 0.36 1.97 -0.14 -1.26 -5.13 119.74 115.91 1wek s LYS 4 Ca 0.00 -0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 54.19 1wek s LYS 4 Cb 0.00 -1.66 -0.11 0.00 -1.68 0.00 0.00 37.83 34.38 1wek s LYS 4 CO 0.00 -0.56 1.49 -2.30 -0.76 0.00 0.00 175.35 173.22 1wek n PRO 5 N 5.17 2.63 -0.27 -1.68 -0.02 -1.26 -4.85 135.00 134.72 1wek n PRO 5 Ca -0.07 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.26 1wek n PRO 5 Cb 0.49 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 1wek n PRO 5 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1wek n LEU 6 N 0.85 -0.69 -0.29 2.45 0.00 -1.26 -0.75 117.00 117.32 1wek n LEU 6 Ca 0.03 1.29 0.07 0.00 0.00 0.00 0.00 56.01 57.40 1wek n LEU 6 Cb 0.38 -0.21 0.30 0.00 0.00 0.00 0.00 43.42 43.89 1wek n LEU 6 CO 0.64 -1.01 1.23 0.40 0.00 0.00 0.00 177.39 178.65 1wek h ILE 7 N 0.00 0.96 0.00 1.96 1.08 -1.97 -0.81 117.51 118.73 1wek h ILE 7 Ca 0.10 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1wek h ILE 7 Cb 0.27 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 1wek h ILE 7 CO -0.61 0.16 0.00 0.47 -0.69 0.00 0.00 178.15 177.48 1wek n ASP 8 N -4.53 0.00 -0.18 1.72 9.92 0.07 -2.45 116.55 121.10 1wek n ASP 8 Ca 0.15 0.30 0.13 0.00 -0.53 0.00 0.00 54.79 54.85 1wek n ASP 8 Cb 0.32 -0.42 0.45 0.00 -0.64 0.00 0.00 41.12 40.84 1wek n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wek n GLN 9 N -1.42 0.70 -2.79 -1.24 6.02 -0.31 -4.83 117.38 113.51 1wek n GLN 9 Ca 0.07 -0.35 -0.41 0.00 -0.01 0.00 0.00 57.00 56.29 1wek n GLN 9 Cb 0.20 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.93 1wek n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wek s LEU 10 N -2.54 4.44 -0.01 1.08 1.43 -1.03 -4.98 118.68 117.07 1wek s LEU 10 Ca 0.25 1.66 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 1wek s LEU 10 Cb 0.19 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 42.93 1wek s LEU 10 CO 0.52 -0.11 0.19 -1.00 0.23 0.00 0.00 176.35 176.17 1wek s HIS 11 N 0.34 -0.03 -0.09 0.29 3.76 -1.26 -5.05 115.29 113.25 1wek s HIS 11 Ca 0.46 0.01 0.30 0.00 -0.15 0.00 0.00 55.06 55.68 1wek s HIS 11 Cb -0.22 -0.00 1.33 0.00 1.11 0.00 0.00 32.58 34.80 1wek s HIS 11 CO 0.27 -0.30 1.89 1.12 -0.85 0.00 0.00 174.74 176.87 1wek h HIS 12 N 4.27 0.00 0.00 1.40 2.07 -2.03 -2.57 115.15 118.30 1wek h HIS 12 Ca -0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1wek h HIS 12 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1wek h HIS 12 CO 0.56 0.00 -1.12 0.39 -3.07 0.00 0.00 177.93 174.70 1wek n GLU 13 N -2.67 0.21 -2.33 5.12 1.02 -1.26 -4.63 120.64 116.09 1wek n GLU 13 Ca 0.01 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1wek n GLU 13 Cb 0.22 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1wek n GLU 13 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wek n ASP 14 N -1.79 4.91 -0.33 1.62 8.00 -0.97 -4.86 116.55 123.13 1wek n ASP 14 Ca 0.02 -3.04 0.23 0.00 0.71 0.00 0.00 54.79 52.71 1wek n ASP 14 Cb 0.41 -1.53 0.46 0.00 -0.02 0.00 0.00 41.12 40.43 1wek n ASP 14 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1wek h SER 15 N 6.05 0.34 -0.71 -2.24 0.02 -1.82 -2.73 113.55 112.47 1wek h SER 15 Ca 0.41 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.56 1wek h SER 15 Cb 0.67 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1wek h SER 15 CO 1.61 -0.21 0.39 4.11 -1.14 0.00 0.00 176.83 181.59 1wek h TRP 16 N 0.23 0.97 0.00 3.45 0.09 -1.97 -1.07 115.95 117.65 1wek h TRP 16 Ca 0.72 -0.02 -0.05 0.00 0.09 0.00 0.00 58.89 59.63 1wek h TRP 16 Cb 1.66 -0.31 -0.01 0.00 0.08 0.00 0.00 29.16 30.59 1wek h TRP 16 CO -0.08 0.69 -0.24 0.00 0.09 0.00 0.00 178.44 178.90 1wek h ARG 17 N 0.97 0.00 0.00 0.12 3.08 -1.88 -0.67 114.38 116.00 1wek h ARG 17 Ca 0.25 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 1wek h ARG 17 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1wek h ARG 17 CO -0.04 0.24 -0.61 -0.07 -1.07 0.00 0.00 179.97 178.42 1wek h LEU 18 N 0.00 0.00 -0.33 3.04 3.38 -1.44 -2.92 115.31 117.05 1wek h LEU 18 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1wek h LEU 18 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wek h LEU 18 CO 0.03 0.61 -0.36 -0.26 0.09 0.00 0.00 178.44 178.54 1wek h PHE 19 N 0.00 0.00 -0.12 1.13 0.04 0.09 -2.44 116.94 115.64 1wek h PHE 19 Ca -0.01 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1wek h PHE 19 Cb 1.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1wek h PHE 19 CO 0.00 0.36 -0.53 -0.09 -0.60 0.00 0.00 178.31 177.46 1wek h ARG 20 N 0.00 0.33 -0.57 1.51 9.65 -1.06 0.12 114.38 124.35 1wek h ARG 20 Ca -0.00 -0.20 -0.08 0.00 -1.10 0.00 0.00 59.98 58.60 1wek h ARG 20 Cb 1.15 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 1wek h ARG 20 CO 0.05 0.78 0.04 0.82 2.80 0.00 0.00 179.97 184.45 1wek h ILE 21 N 0.26 1.26 -0.36 1.20 2.04 -1.33 -1.85 117.51 118.73 1wek h ILE 21 Ca 0.01 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1wek h ILE 21 Cb 1.01 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1wek h ILE 21 CO 0.09 0.39 0.19 0.25 0.00 0.00 0.00 178.15 179.06 1wek h LEU 22 N 0.87 0.47 -0.91 1.44 7.12 -0.94 -2.80 115.31 120.57 1wek h LEU 22 Ca 0.17 -0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1wek h LEU 22 Cb 0.49 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 1wek h LEU 22 CO 0.02 0.45 0.56 0.00 -0.13 0.00 0.00 178.44 179.34 1wek h ALA 23 N 1.04 1.15 -0.29 1.25 0.00 -0.61 -1.32 119.26 120.48 1wek h ALA 23 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wek h ALA 23 Cb 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1wek h ALA 23 CO -0.02 0.60 -0.10 0.93 0.00 0.00 0.00 179.25 180.66 1wek h GLU 24 N 1.24 0.48 -0.13 0.00 5.08 -1.15 -0.39 114.58 119.71 1wek h GLU 24 Ca 0.33 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1wek h GLU 24 Cb -0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1wek h GLU 24 CO -0.06 0.58 -0.46 0.74 -1.00 0.00 0.00 179.01 178.81 1wek h PHE 25 N 0.45 0.70 0.29 4.33 0.05 -1.17 -0.25 116.94 121.34 1wek h PHE 25 Ca 0.09 -0.29 -0.01 0.00 3.82 0.00 0.00 57.97 61.57 1wek h PHE 25 Cb 0.45 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.29 1wek h PHE 25 CO 0.01 1.06 -0.14 0.28 -0.18 0.00 0.00 178.31 179.34 1wek h VAL 26 N 0.15 0.73 -0.40 -0.55 2.07 -1.02 -0.44 116.25 116.79 1wek h VAL 26 Ca -0.02 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1wek h VAL 26 Cb 1.09 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1wek h VAL 26 CO 0.10 0.02 -0.25 -0.33 0.02 0.00 0.00 177.57 177.12 1wek h GLU 27 N -0.43 0.82 0.18 1.57 5.08 -1.16 -1.72 114.58 118.92 1wek h GLU 27 Ca -0.04 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1wek h GLU 27 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1wek h GLU 27 CO 0.06 0.98 -0.09 0.78 -1.00 0.00 0.00 179.01 179.75 1wek h GLY 28 N 0.94 -0.25 1.05 -3.84 0.00 -0.93 -1.62 103.07 98.41 1wek h GLY 28 Ca 0.09 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 1wek h GLY 28 CO 0.06 -0.09 0.05 0.74 0.00 0.00 0.00 176.54 177.31 1wek h PHE 29 N -0.31 1.08 0.48 5.60 0.04 -1.05 -2.14 116.94 120.64 1wek h PHE 29 Ca -0.02 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1wek h PHE 29 Cb 0.24 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1wek h PHE 29 CO -0.04 0.95 -0.23 1.49 -0.60 0.00 0.00 178.31 179.87 1wek h GLU 30 N 0.90 -0.62 -0.19 1.51 4.81 -1.32 -0.09 114.58 119.57 1wek h GLU 30 Ca 0.17 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1wek h GLU 30 Cb 0.48 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 1wek h GLU 30 CO 0.02 -0.33 -0.23 1.15 -0.73 0.00 0.00 179.01 178.88 1wek h THR 31 N -0.82 0.42 -0.19 0.32 2.02 -1.31 -2.74 112.91 110.61 1wek h THR 31 Ca -0.07 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 1wek h THR 31 Cb 0.57 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1wek h THR 31 CO 0.11 0.00 -0.58 -0.07 0.37 0.00 0.00 175.52 175.35 1wek h LEU 32 N -0.26 0.69 -1.66 2.58 3.38 -1.42 -3.22 115.31 115.39 1wek h LEU 32 Ca 0.12 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1wek h LEU 32 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wek h LEU 32 CO -0.34 1.12 -0.19 0.77 0.09 0.00 0.00 178.44 179.89 1wek h SER 33 N 0.47 0.00 1.56 -0.43 4.64 -0.87 -2.65 113.55 116.27 1wek h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wek h SER 33 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1wek h SER 33 CO 0.11 0.19 0.00 -0.33 -0.87 0.00 0.00 176.83 175.93 1wek h GLU 34 N 0.00 0.00 -6.82 4.77 5.08 -1.50 -3.46 114.58 112.66 1wek h GLU 34 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1wek h GLU 34 Cb 0.36 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.69 1wek h GLU 34 CO 0.02 0.00 0.89 -0.51 -1.00 0.00 0.00 179.01 178.42 1wek s LEU 35 N -6.02 4.34 -0.40 1.33 1.43 -1.00 -4.89 118.68 113.46 1wek s LEU 35 Ca 0.05 2.99 0.05 0.00 -1.03 0.00 0.00 54.13 56.19 1wek s LEU 35 Cb 0.07 -3.64 0.58 0.00 0.03 0.00 0.00 46.19 43.24 1wek s LEU 35 CO 0.61 -0.93 1.73 0.00 0.23 0.00 0.00 176.35 177.99 1wek n GLN 36 N 2.02 2.17 -4.21 1.70 6.02 -1.26 -4.93 117.38 118.89 1wek n GLN 36 Ca 0.08 -3.14 -0.16 0.00 -0.01 0.00 0.00 57.00 53.76 1wek n GLN 36 Cb 0.37 -2.05 -0.14 0.00 1.02 0.00 0.00 30.24 29.44 1wek n GLN 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wek s VAL 37 N -3.46 0.56 0.16 5.09 0.11 -1.26 -5.12 120.40 116.49 1wek s VAL 37 Ca 0.53 -0.46 -0.32 0.00 -2.93 0.00 0.00 61.98 58.80 1wek s VAL 37 Cb 0.45 -0.50 -0.12 0.00 -1.53 0.00 0.00 36.38 34.68 1wek s VAL 37 CO 0.05 0.05 1.77 -2.65 -3.33 0.00 0.00 175.10 171.00 1wek n PRO 38 N 2.61 2.74 -3.57 1.54 -0.02 -1.26 -4.62 135.00 132.41 1wek n PRO 38 Ca -0.15 0.99 -0.37 0.00 -2.02 0.00 0.00 63.50 61.96 1wek n PRO 38 Cb 0.57 -2.86 -0.08 0.00 -0.02 0.00 0.00 33.50 31.11 1wek n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wek s LEU 39 N 1.95 4.18 -0.19 2.45 1.43 -1.26 0.27 118.68 127.50 1wek s LEU 39 Ca 0.79 0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1wek s LEU 39 Cb -0.51 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.44 1wek s LEU 39 CO 0.35 0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 176.15 1wek s VAL 40 N 0.81 2.48 0.22 -1.59 1.01 -0.30 -0.38 120.40 122.66 1wek s VAL 40 Ca 0.13 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 1wek s VAL 40 Cb -0.13 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.09 1wek s VAL 40 CO 0.04 0.50 0.77 -0.44 0.00 0.00 0.00 175.10 175.97 1wek s SER 41 N 1.32 7.17 -0.02 3.32 0.01 -0.42 -1.51 113.70 123.57 1wek s SER 41 Ca 0.05 1.53 0.01 0.00 1.31 0.00 0.00 55.95 58.85 1wek s SER 41 Cb -0.14 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1wek s SER 41 CO -0.09 0.06 -0.03 -0.69 0.41 0.00 0.00 173.24 172.89 1wek s VAL 42 N -1.45 0.35 -0.00 3.43 1.01 0.11 -0.86 120.40 122.99 1wek s VAL 42 Ca 0.42 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1wek s VAL 42 Cb -0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 1wek s VAL 42 CO 0.22 0.15 -0.04 0.12 0.00 0.00 0.00 175.10 175.56 1wek s PHE 43 N 0.52 0.35 0.28 5.22 5.36 -0.71 -4.04 117.98 124.96 1wek s PHE 43 Ca -0.06 -0.08 -0.16 0.00 -0.96 0.00 0.00 56.93 55.67 1wek s PHE 43 Cb -0.09 -0.23 0.06 0.00 -0.34 0.00 0.00 43.02 42.42 1wek s PHE 43 CO -0.01 -0.01 0.81 0.41 -1.46 0.00 0.00 175.22 174.97 1wek n GLY 44 N 2.92 0.89 3.64 13.12 0.00 -1.26 -1.09 105.19 123.41 1wek n GLY 44 Ca -0.13 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 1wek n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wek n SER 45 N -1.38 2.04 -0.30 1.61 2.88 0.41 -4.78 113.62 114.10 1wek n SER 45 Ca -0.05 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.78 1wek n SER 45 Cb 0.54 -1.37 0.19 0.00 -0.75 0.00 0.00 64.21 62.82 1wek n SER 45 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wek n ALA 46 N 0.80 3.43 -0.11 -1.46 0.00 -1.26 -0.92 120.51 120.98 1wek n ALA 46 Ca 0.09 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 1wek n ALA 46 Cb 0.32 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 1wek n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wek n ARG 47 N -0.54 0.73 -2.05 0.00 1.74 -1.26 -3.18 116.66 112.09 1wek n ARG 47 Ca 0.10 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 1wek n ARG 47 Cb 0.39 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1wek n ARG 47 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wek s PHE 48 N -2.48 1.99 0.27 -1.55 2.99 -1.26 -4.84 117.98 113.09 1wek s PHE 48 Ca -0.21 0.46 0.04 0.00 0.00 0.00 0.00 56.93 57.22 1wek s PHE 48 Cb 0.07 -3.98 0.04 0.00 0.00 0.00 0.00 43.02 39.14 1wek s PHE 48 CO 0.69 -3.23 0.31 0.41 -0.00 0.00 0.00 175.22 173.40 1wek n GLY 49 N 4.67 2.33 3.50 4.36 0.00 -1.26 -2.57 105.19 116.22 1wek n GLY 49 Ca 0.19 -2.20 -0.55 0.00 0.00 0.00 0.00 46.02 43.46 1wek n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wek n GLU 50 N -1.41 0.27 0.00 1.61 1.02 -1.26 -1.45 120.64 119.42 1wek n GLU 50 Ca 0.04 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1wek n GLU 50 Cb 0.29 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1wek n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wek n GLY 51 N 1.76 2.99 3.77 0.62 0.00 -1.26 -5.05 105.19 108.02 1wek n GLY 51 Ca 0.19 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1wek n GLY 51 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wek s HIS 52 N -0.85 3.25 0.16 1.61 5.04 -0.53 -4.91 115.29 119.06 1wek s HIS 52 Ca 0.00 1.56 -0.18 0.00 -1.54 0.00 0.00 55.06 54.90 1wek s HIS 52 Cb 0.00 -3.44 0.08 0.00 0.04 0.00 0.00 32.58 29.26 1wek s HIS 52 CO 0.00 -1.21 1.66 -1.35 -2.34 0.00 0.00 174.74 171.50 1wek h PRO 53 N 3.30 -0.07 -0.64 2.88 0.11 -1.97 -1.99 132.00 133.62 1wek h PRO 53 Ca -0.48 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1wek h PRO 53 Cb 1.22 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 1wek h PRO 53 CO 0.65 -0.05 0.12 0.00 -0.21 0.00 0.00 178.00 178.51 1wek h ALA 54 N 1.23 0.76 0.11 -0.75 0.00 -1.94 0.25 119.26 118.92 1wek h ALA 54 Ca 0.18 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1wek h ALA 54 Cb 0.35 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wek h ALA 54 CO -0.41 -0.33 -0.05 -0.92 0.00 0.00 0.00 179.25 177.54 1wek h TYR 55 N 0.24 -0.13 -0.45 0.00 3.20 -1.71 -0.32 116.97 117.80 1wek h TYR 55 Ca 0.35 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.28 1wek h TYR 55 Cb 0.55 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1wek h TYR 55 CO -0.27 -0.02 0.11 1.49 -1.64 0.00 0.00 178.16 177.83 1wek h GLU 56 N -0.22 0.24 0.00 1.82 4.22 -0.59 -0.22 114.58 119.84 1wek h GLU 56 Ca -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1wek h GLU 56 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1wek h GLU 56 CO 0.02 0.16 -0.17 0.00 -2.18 0.00 0.00 179.01 176.84 1wek h ALA 57 N 1.33 1.48 -0.57 2.92 0.00 -0.32 -1.62 119.26 122.49 1wek h ALA 57 Ca 0.22 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1wek h ALA 57 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1wek h ALA 57 CO -0.27 0.22 0.08 0.78 0.00 0.00 0.00 179.25 180.06 1wek h GLY 58 N 0.72 1.03 0.87 0.00 0.00 0.73 0.46 103.07 106.90 1wek h GLY 58 Ca -0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1wek h GLY 58 CO 0.02 0.64 0.04 -1.82 0.00 0.00 0.00 176.54 175.43 1wek h TYR 59 N 0.85 0.14 -0.89 5.60 5.03 -0.60 0.30 116.97 127.41 1wek h TYR 59 Ca 0.17 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.51 1wek h TYR 59 Cb 0.43 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.61 1wek h TYR 59 CO 0.03 0.24 0.57 0.00 -1.32 0.00 0.00 178.16 177.68 1wek h ARG 60 N 0.01 1.07 0.52 1.82 3.08 -1.24 0.12 114.38 119.75 1wek h ARG 60 Ca 0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1wek h ARG 60 Cb 0.15 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1wek h ARG 60 CO -0.00 0.71 -0.25 1.25 -1.07 0.00 0.00 179.97 180.61 1wek h LEU 61 N 1.10 -0.59 -0.24 3.04 5.85 -0.45 0.18 115.31 124.20 1wek h LEU 61 Ca 0.36 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.13 1wek h LEU 61 Cb 0.03 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1wek h LEU 61 CO -0.13 -0.38 -0.40 1.23 -0.34 0.00 0.00 178.44 178.43 1wek h GLY 62 N -0.76 -0.57 0.95 3.75 0.00 0.15 0.58 103.07 107.16 1wek h GLY 62 Ca -0.07 0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 1wek h GLY 62 CO 0.12 -0.21 -0.05 -0.09 0.00 0.00 0.00 176.54 176.31 1wek h ARG 63 N -0.41 -0.12 -0.81 4.80 2.43 -0.73 -2.02 114.38 117.52 1wek h ARG 63 Ca 0.11 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1wek h ARG 63 Cb 0.59 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1wek h ARG 63 CO -0.46 -0.04 0.53 0.00 -1.51 0.00 0.00 179.97 178.50 1wek h ALA 64 N 0.72 1.60 -0.23 2.80 0.00 -0.36 -0.88 119.26 122.91 1wek h ALA 64 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1wek h ALA 64 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wek h ALA 64 CO 0.02 0.29 -0.03 -0.07 0.00 0.00 0.00 179.25 179.46 1wek h LEU 65 N 0.90 0.42 -1.08 0.00 3.38 -0.72 -2.04 115.31 116.17 1wek h LEU 65 Ca 0.34 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1wek h LEU 65 Cb 0.20 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1wek h LEU 65 CO -0.12 0.66 0.62 0.00 0.09 0.00 0.00 178.44 179.69 1wek h ALA 66 N 0.77 1.34 0.00 1.53 0.00 -0.70 -0.64 119.26 121.57 1wek h ALA 66 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1wek h ALA 66 Cb 0.47 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wek h ALA 66 CO 0.02 0.61 -0.13 0.93 0.00 0.00 0.00 179.25 180.68 1wek h GLU 67 N 1.26 0.00 -0.11 0.00 5.08 -1.14 -2.82 114.58 116.84 1wek h GLU 67 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1wek h GLU 67 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1wek h GLU 67 CO -0.08 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1wek n ALA 68 N -2.14 2.54 -0.48 3.43 0.00 -0.77 -4.91 120.51 118.18 1wek n ALA 68 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1wek n ALA 68 Cb 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1wek n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wek n GLY 69 N 1.12 0.75 3.91 0.00 0.00 -1.04 -5.05 105.19 104.89 1wek n GLY 69 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1wek n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wek s PHE 70 N -2.34 3.48 0.14 1.61 0.40 -0.31 -4.29 117.98 116.68 1wek s PHE 70 Ca 0.00 0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1wek s PHE 70 Cb 0.00 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1wek s PHE 70 CO 0.00 0.40 0.29 0.20 0.70 0.00 0.00 175.22 176.81 1wek s GLY 71 N -2.76 1.85 -0.06 4.36 0.00 0.14 -3.66 107.32 107.20 1wek s GLY 71 Ca 0.40 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.21 1wek s GLY 71 CO 0.27 -0.92 -0.13 -1.34 0.00 0.00 0.00 173.10 170.97 1wek s VAL 72 N -1.71 3.13 -0.15 1.40 -7.23 0.02 -1.15 120.40 114.72 1wek s VAL 72 Ca 0.36 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1wek s VAL 72 Cb -0.12 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1wek s VAL 72 CO 0.28 0.59 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.80 1wek s VAL 73 N -0.63 1.78 0.43 1.32 1.01 -0.57 0.61 120.40 124.36 1wek s VAL 73 Ca 0.09 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1wek s VAL 73 Cb -0.11 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1wek s VAL 73 CO 0.01 0.49 0.05 0.42 0.00 0.00 0.00 175.10 176.07 1wek s THR 74 N 1.23 1.19 -1.50 3.92 -4.23 -0.43 0.09 115.64 115.92 1wek s THR 74 Ca 0.01 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.78 1wek s THR 74 Cb -0.14 -2.49 0.49 0.00 1.34 0.00 0.00 72.50 71.70 1wek s THR 74 CO -0.08 0.00 1.88 0.61 -0.54 0.00 0.00 174.62 176.49 1wek n GLY 75 N -1.01 -1.10 2.48 3.99 0.00 -1.26 -0.50 105.19 107.79 1wek n GLY 75 Ca -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1wek n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 76 N 0.87 0.59 0.00 -0.02 0.00 -1.26 -3.65 105.19 101.72 1wek n GLY 76 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wek n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 77 N -1.04 0.90 0.00 -0.02 0.00 -1.26 -3.46 105.19 100.31 1wek n GLY 77 Ca -0.04 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1wek n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wek n PRO 78 N 0.00 0.33 0.00 1.61 -0.02 -1.26 -3.04 135.00 132.62 1wek n PRO 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1wek n PRO 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1wek n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wek n GLY 79 N 5.00 2.40 1.70 -1.23 0.00 -1.19 -3.61 105.19 108.26 1wek n GLY 79 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1wek n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wek n VAL 80 N 0.00 0.00 0.00 1.61 0.31 -0.09 -1.99 118.33 118.17 1wek n VAL 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wek n VAL 80 Cb 0.00 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1wek n VAL 80 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1wek n GLU 82 N 1.57 0.00 -0.03 5.55 2.13 -1.17 -2.06 120.64 126.63 1wek n GLU 82 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1wek n GLU 82 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1wek n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wek h ALA 83 N 0.00 0.21 -0.43 4.31 0.00 -1.71 0.14 119.26 121.78 1wek h ALA 83 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wek h ALA 83 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wek h ALA 83 CO 0.00 -0.30 0.16 0.28 0.00 0.00 0.00 179.25 179.39 1wek h VAL 84 N 0.21 1.20 -0.18 0.00 2.07 -1.47 -0.65 116.25 117.44 1wek h VAL 84 Ca 0.06 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1wek h VAL 84 Cb -0.01 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1wek h VAL 84 CO -0.01 0.23 0.11 0.78 0.02 0.00 0.00 177.57 178.70 1wek h ASN 85 N 0.55 0.21 0.14 0.57 -0.26 -1.79 -2.03 115.58 112.97 1wek h ASN 85 Ca 0.14 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1wek h ASN 85 Cb 0.21 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1wek h ASN 85 CO -0.01 0.17 -0.08 -0.09 -1.06 0.00 0.00 177.43 176.36 1wek h ARG 86 N 0.23 -0.20 -0.27 0.81 2.43 -0.58 0.62 114.38 117.42 1wek h ARG 86 Ca 0.06 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1wek h ARG 86 Cb -0.00 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1wek h ARG 86 CO -0.01 -0.13 -0.07 0.78 -1.51 0.00 0.00 179.97 179.03 1wek h GLY 87 N -0.21 0.19 1.16 2.80 0.00 -1.02 0.10 103.07 106.10 1wek h GLY 87 Ca -0.01 0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1wek h GLY 87 CO 0.02 -0.10 -0.27 0.00 0.00 0.00 0.00 176.54 176.19 1wek h ALA 88 N 1.26 0.68 0.76 3.60 0.00 -1.25 -2.88 119.26 121.43 1wek h ALA 88 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1wek h ALA 88 Cb 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wek h ALA 88 CO -0.27 0.67 -0.37 -0.92 0.00 0.00 0.00 179.25 178.36 1wek h TYR 89 N 0.81 -0.95 0.00 0.00 3.20 -0.52 0.13 116.97 119.64 1wek h TYR 89 Ca 0.09 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1wek h TYR 89 Cb 0.85 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1wek h TYR 89 CO 0.05 -0.59 0.01 0.39 -1.64 0.00 0.00 178.16 176.38 1wek n GLU 90 N -5.00 0.00 -0.14 1.82 1.02 0.33 0.10 120.64 118.77 1wek n GLU 90 Ca -0.13 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1wek n GLU 90 Cb 0.40 -1.51 0.26 0.00 -0.02 0.00 0.00 31.44 30.57 1wek n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wek n ALA 91 N -1.44 2.45 -1.01 0.62 0.00 -1.05 -4.92 120.51 115.16 1wek n ALA 91 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 53.44 52.60 1wek n ALA 91 Cb 0.01 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 1wek n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wek n GLY 92 N 1.39 0.45 3.93 0.00 0.00 0.29 -4.78 105.19 106.46 1wek n GLY 92 Ca 0.18 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1wek n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wek s GLY 93 N -2.12 1.69 -0.19 -0.02 0.00 0.43 -5.01 107.32 102.09 1wek s GLY 93 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 44.72 43.48 1wek s GLY 93 CO 0.00 -0.50 0.99 0.14 0.00 0.00 0.00 173.10 173.73 1wek s VAL 94 N -3.33 4.74 -0.21 1.40 1.01 -1.26 -4.43 120.40 118.31 1wek s VAL 94 Ca 0.62 1.95 0.02 0.00 0.00 0.00 0.00 61.98 64.57 1wek s VAL 94 Cb -0.10 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1wek s VAL 94 CO 0.46 -0.10 -0.15 -0.55 0.00 0.00 0.00 175.10 174.76 1wek s SER 95 N 1.18 3.68 0.01 3.32 0.15 -1.26 -0.80 113.70 119.97 1wek s SER 95 Ca 0.44 -0.98 0.02 0.00 0.70 0.00 0.00 55.95 56.13 1wek s SER 95 Cb -0.16 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1wek s SER 95 CO 0.10 -0.10 -0.02 -0.69 1.20 0.00 0.00 173.24 173.73 1wek s VAL 96 N 1.24 4.01 -0.12 4.45 1.01 0.20 0.92 120.40 132.12 1wek s VAL 96 Ca -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1wek s VAL 96 Cb -0.16 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1wek s VAL 96 CO -0.09 0.36 -0.13 -0.83 0.00 0.00 0.00 175.10 174.40 1wek s GLY 97 N -1.59 1.02 -1.09 4.51 0.00 -0.83 -1.32 107.32 108.03 1wek s GLY 97 Ca 0.19 -0.75 -0.07 0.00 0.00 0.00 0.00 44.72 44.10 1wek s GLY 97 CO 0.10 0.42 1.18 1.04 0.00 0.00 0.00 173.10 175.85 1wek n LEU 98 N 4.50 5.65 -4.73 0.66 4.77 0.34 -1.22 117.00 126.97 1wek n LEU 98 Ca -0.17 -5.09 -0.41 0.00 -0.03 0.00 0.00 56.01 50.30 1wek n LEU 98 Cb 0.51 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 1wek n LEU 98 CO 0.22 1.46 0.90 0.20 -1.33 0.00 0.00 177.39 178.83 1wek s ASN 99 N 0.41 7.06 -0.18 -1.43 -0.87 -0.58 -4.33 114.94 115.03 1wek s ASN 99 Ca 0.31 2.22 -0.07 0.00 -1.57 0.00 0.00 52.86 53.75 1wek s ASN 99 Cb -0.06 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.53 1wek s ASN 99 CO -0.04 -0.41 0.05 -0.63 -2.57 0.00 0.00 177.10 173.50 1wek s ILE 100 N 0.14 4.66 -0.99 0.60 1.01 -1.26 -0.02 121.20 125.35 1wek s ILE 100 Ca 0.54 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 1wek s ILE 100 Cb -0.33 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 1wek s ILE 100 CO 0.36 0.47 2.02 -0.62 0.00 0.00 0.00 174.94 177.17 1wek n GLU 101 N 3.48 1.93 -0.13 2.79 1.02 0.64 -4.94 120.64 125.42 1wek n GLU 101 Ca -0.17 -2.09 -0.08 0.00 -0.02 0.00 0.00 57.16 54.81 1wek n GLU 101 Cb 0.52 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 1wek n GLU 101 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wek h LEU 102 N 12.63 0.48 -7.25 -4.62 3.38 -1.94 -3.48 115.31 114.51 1wek h LEU 102 Ca 0.47 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.31 1wek h LEU 102 Cb 0.66 -0.12 -0.25 0.00 0.09 0.00 0.00 40.66 41.04 1wek h LEU 102 CO 1.94 0.35 -0.25 -2.84 0.09 0.00 0.00 178.44 177.73 1wek s PRO 108 N -6.14 0.45 0.48 1.13 0.02 -1.26 -5.21 135.00 124.47 1wek s PRO 108 Ca -0.13 0.71 -0.22 0.00 0.02 0.00 0.00 61.00 61.39 1wek s PRO 108 Cb 0.11 0.11 -0.09 0.00 0.02 0.00 0.00 34.50 34.64 1wek s PRO 108 CO 0.73 -0.11 0.85 0.27 -0.33 0.00 0.00 177.00 178.40 1wek n ASN 109 N 3.60 0.44 -1.20 2.53 0.23 -1.22 -4.86 115.26 114.77 1wek n ASN 109 Ca -0.19 0.92 -0.04 0.00 -0.53 0.00 0.00 54.58 54.74 1wek n ASN 109 Cb 0.56 -1.29 0.04 0.00 -2.08 0.00 0.00 39.78 37.01 1wek n ASN 109 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1wek n PRO 110 N -0.03 1.32 -2.35 -0.53 -0.04 -1.26 -4.36 135.00 127.75 1wek n PRO 110 Ca 0.11 -0.62 -0.26 0.00 -0.04 0.00 0.00 63.50 62.69 1wek n PRO 110 Cb 0.42 -1.29 0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1wek n PRO 110 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wek n TYR 111 N 0.16 3.22 -4.97 0.54 4.02 -1.26 -5.02 117.16 113.85 1wek n TYR 111 Ca 0.12 -2.86 -0.28 0.00 -0.01 0.00 0.00 57.90 54.87 1wek n TYR 111 Cb 0.71 -0.16 -0.17 0.00 -0.02 0.00 0.00 39.34 39.71 1wek n TYR 111 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1wek s GLN 112 N -3.56 2.27 0.41 -0.72 -0.21 -1.26 -4.38 119.66 112.20 1wek s GLN 112 Ca 0.49 -0.69 0.22 0.00 0.02 0.00 0.00 55.36 55.39 1wek s GLN 112 Cb 0.40 -1.84 0.49 0.00 1.00 0.00 0.00 33.01 33.06 1wek s GLN 112 CO -0.12 0.20 1.65 1.15 -2.12 0.00 0.00 175.29 176.04 1wek h THR 113 N 5.52 0.36 -2.58 -0.19 2.02 0.20 -3.43 112.91 114.82 1wek h THR 113 Ca -0.28 -1.33 -0.13 0.00 0.77 0.00 0.00 66.41 65.44 1wek h THR 113 Cb 1.20 2.02 -0.29 0.00 -1.74 0.00 0.00 68.15 69.34 1wek h THR 113 CO 0.47 0.19 -0.42 -1.00 0.37 0.00 0.00 175.52 175.13 1wek s HIS 114 N -3.27 -0.70 -0.26 3.16 3.76 -1.02 -4.96 115.29 111.99 1wek s HIS 114 Ca 0.04 1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 56.24 1wek s HIS 114 Cb 0.07 0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.96 1wek s HIS 114 CO 0.67 -0.46 0.01 0.00 -0.85 0.00 0.00 174.74 174.12 1wek s ALA 115 N 2.56 2.93 -0.23 -1.40 0.00 -1.26 -1.96 121.76 122.40 1wek s ALA 115 Ca -0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 1wek s ALA 115 Cb -0.12 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 1wek s ALA 115 CO -0.12 -0.72 0.15 -0.51 0.00 0.00 0.00 175.76 174.56 1wek s LEU 116 N 1.47 4.12 -0.52 0.00 1.43 -0.36 -5.00 118.68 119.81 1wek s LEU 116 Ca 0.03 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 1wek s LEU 116 Cb -0.16 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.01 1wek s LEU 116 CO -0.01 0.09 0.77 -0.55 0.23 0.00 0.00 176.35 176.89 1wek s SER 117 N 0.90 6.28 0.01 2.29 0.15 -1.26 -1.52 113.70 120.55 1wek s SER 117 Ca 0.07 -0.64 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1wek s SER 117 Cb -0.13 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1wek s SER 117 CO 0.03 -1.04 -0.17 -0.76 1.20 0.00 0.00 173.24 172.49 1wek s LEU 118 N 3.24 2.62 -0.02 3.45 1.43 0.96 -4.95 118.68 125.41 1wek s LEU 118 Ca 0.22 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1wek s LEU 118 Cb -0.16 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1wek s LEU 118 CO 0.15 0.28 0.07 0.54 0.23 0.00 0.00 176.35 177.62 1wek n ARG 119 N 1.79 1.18 -3.67 1.70 1.74 -1.26 -0.26 116.66 117.87 1wek n ARG 119 Ca -0.16 -0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.51 1wek n ARG 119 Cb 0.52 -1.10 -0.12 0.00 -1.02 0.00 0.00 32.46 30.74 1wek n ARG 119 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1wek s TYR 120 N -2.23 3.17 0.36 -1.55 1.51 -1.26 -4.82 117.35 112.54 1wek s TYR 120 Ca -0.02 -0.61 0.13 0.00 -1.01 0.00 0.00 57.07 55.57 1wek s TYR 120 Cb 0.02 -2.33 0.95 0.00 -0.11 0.00 0.00 41.96 40.49 1wek s TYR 120 CO 0.17 -0.46 1.79 0.27 -1.11 0.00 0.00 175.55 176.21 1wek h PHE 121 N 8.33 0.80 0.00 2.71 -5.15 -1.99 -0.39 116.94 121.24 1wek h PHE 121 Ca -0.32 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.44 1wek h PHE 121 Cb 1.15 -0.24 -0.00 0.00 0.22 0.00 0.00 35.95 37.07 1wek h PHE 121 CO 0.64 0.15 -0.16 0.27 -2.00 0.00 0.00 178.31 177.21 1wek h PHE 122 N 0.55 0.00 0.08 6.09 -5.15 -1.99 -1.51 116.94 115.00 1wek h PHE 122 Ca 0.56 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 58.08 1wek h PHE 122 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.34 1wek h PHE 122 CO -0.00 0.16 -1.13 0.28 -2.00 0.00 0.00 178.31 175.62 1wek h VAL 123 N 0.00 1.54 -0.42 0.88 2.07 -1.52 -2.93 116.25 115.87 1wek h VAL 123 Ca -0.00 -3.05 -0.13 0.00 0.82 0.00 0.00 66.70 64.34 1wek h VAL 123 Cb 0.83 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1wek h VAL 123 CO 0.02 0.89 -0.24 -0.09 0.02 0.00 0.00 177.57 178.16 1wek h ARG 124 N 0.07 0.87 -0.60 1.57 2.43 -1.11 -2.05 114.38 115.57 1wek h ARG 124 Ca -0.10 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1wek h ARG 124 Cb 1.85 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.35 1wek h ARG 124 CO 0.18 1.02 0.24 0.87 -1.51 0.00 0.00 179.97 180.76 1wek h LYS 125 N 0.75 0.90 -0.05 0.20 1.79 -1.29 -1.23 116.57 117.64 1wek h LYS 125 Ca 0.10 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1wek h LYS 125 Cb 0.79 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1wek h LYS 125 CO 0.07 0.77 0.01 0.28 -1.08 0.00 0.00 179.45 179.50 1wek h VAL 126 N 0.84 1.18 0.00 0.50 2.07 -1.40 -2.90 116.25 116.54 1wek h VAL 126 Ca 0.20 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1wek h VAL 126 Cb 0.21 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1wek h VAL 126 CO -0.02 0.15 -0.03 -0.07 0.02 0.00 0.00 177.57 177.62 1wek h LEU 127 N -0.12 0.00 -0.84 2.57 3.38 -1.17 -0.89 115.31 118.23 1wek h LEU 127 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1wek h LEU 127 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1wek h LEU 127 CO -0.00 0.03 -0.29 -0.26 0.09 0.00 0.00 178.44 178.01 1wek h PHE 128 N 0.00 0.60 0.00 1.13 0.05 -1.01 -3.35 116.94 114.36 1wek h PHE 128 Ca -0.00 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.65 1wek h PHE 128 Cb 0.12 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 37.92 1wek h PHE 128 CO 0.00 0.76 -1.03 1.33 -0.18 0.00 0.00 178.31 179.20 1wek n VAL 129 N -4.09 0.00 -0.32 -0.55 0.24 -0.86 -4.43 118.33 108.33 1wek n VAL 129 Ca -0.01 -0.25 0.23 0.00 -2.04 0.00 0.00 64.34 62.28 1wek n VAL 129 Cb 0.44 0.59 0.52 0.00 -1.47 0.00 0.00 33.84 33.92 1wek n VAL 129 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wek h ARG 130 N 0.00 0.36 0.00 7.34 9.65 -1.32 -2.69 114.38 127.72 1wek h ARG 130 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1wek h ARG 130 Cb 0.37 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1wek h ARG 130 CO 0.00 0.24 -0.13 0.66 2.80 0.00 0.00 179.97 183.54 1wek n TYR 131 N -4.59 0.00 -2.48 2.20 4.02 -1.26 -5.01 117.16 110.03 1wek n TYR 131 Ca 0.25 -0.40 -0.41 0.00 -0.01 0.00 0.00 57.90 57.33 1wek n TYR 131 Cb 0.88 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 40.09 1wek n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wek s ALA 132 N -1.04 3.39 -0.92 -0.72 0.00 -1.02 -4.21 121.76 117.24 1wek s ALA 132 Ca 0.09 0.86 0.10 0.00 0.00 0.00 0.00 51.96 53.01 1wek s ALA 132 Cb 0.08 -3.35 0.29 0.00 0.00 0.00 0.00 23.12 20.14 1wek s ALA 132 CO 0.01 -0.21 1.24 1.33 0.00 0.00 0.00 175.76 178.12 1wek n VAL 133 N 2.02 0.97 0.00 0.00 0.24 0.49 -4.83 118.33 117.22 1wek n VAL 133 Ca 0.02 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 1wek n VAL 133 Cb 0.45 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1wek n VAL 133 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wek n GLY 134 N 0.50 2.17 2.84 7.63 0.00 -1.26 -4.29 105.19 112.79 1wek n GLY 134 Ca 0.11 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1wek n GLY 134 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wek s PHE 135 N -2.00 0.60 -0.15 1.61 5.99 -0.41 -1.30 117.98 122.32 1wek s PHE 135 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 56.93 56.79 1wek s PHE 135 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 43.02 42.38 1wek s PHE 135 CO 0.00 -0.21 -0.12 0.08 -0.00 0.00 0.00 175.22 174.97 1wek s VAL 136 N 1.24 3.01 -0.21 3.12 1.01 -0.04 -0.47 120.40 128.06 1wek s VAL 136 Ca -0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1wek s VAL 136 Cb -0.14 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 1wek s VAL 136 CO -0.02 0.51 -0.08 -0.36 0.00 0.00 0.00 175.10 175.15 1wek s PHE 137 N 0.66 2.92 0.33 5.22 0.40 0.17 -1.74 117.98 125.93 1wek s PHE 137 Ca -0.06 -1.04 0.07 0.00 -0.60 0.00 0.00 56.93 55.29 1wek s PHE 137 Cb -0.15 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 1wek s PHE 137 CO 0.02 -0.57 0.45 -0.51 0.70 0.00 0.00 175.22 175.31 1wek s LEU 138 N 1.37 3.95 -0.03 -0.37 1.43 -0.25 -1.38 118.68 123.40 1wek s LEU 138 Ca 0.05 -0.21 -0.37 0.00 -1.03 0.00 0.00 54.13 52.57 1wek s LEU 138 Cb -0.14 -2.71 -0.16 0.00 0.03 0.00 0.00 46.19 43.22 1wek s LEU 138 CO -0.05 -0.41 1.53 -2.65 0.23 0.00 0.00 176.35 175.01 1wek n PRO 139 N -1.60 1.35 -0.11 1.29 -0.02 -1.26 -4.32 135.00 130.34 1wek n PRO 139 Ca -0.01 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1wek n PRO 139 Cb 0.58 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1wek n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wek n GLY 140 N 3.27 3.88 0.00 -1.23 0.00 -1.26 -0.44 105.19 109.40 1wek n GLY 140 Ca 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1wek n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wek n GLY 141 N 0.00 3.80 0.33 -0.02 0.00 -1.26 -4.84 105.19 103.21 1wek n GLY 141 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1wek n GLY 141 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wek h PHE 142 N 0.00 -0.85 -0.60 1.61 0.05 -2.01 -1.76 116.94 113.38 1wek h PHE 142 Ca 0.00 0.02 0.12 0.00 3.82 0.00 0.00 57.97 61.93 1wek h PHE 142 Cb 0.00 0.36 -0.11 0.00 2.00 0.00 0.00 35.95 38.19 1wek h PHE 142 CO 0.00 -0.42 -0.15 0.78 -0.18 0.00 0.00 178.31 178.34 1wek h GLY 143 N -0.55 0.43 1.04 -1.45 0.00 -1.97 0.85 103.07 101.42 1wek h GLY 143 Ca 0.03 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 1wek h GLY 143 CO -0.17 -0.23 0.19 -0.84 0.00 0.00 0.00 176.54 175.50 1wek h THR 144 N -0.00 1.26 -0.64 4.70 2.02 -1.81 -1.47 112.91 116.96 1wek h THR 144 Ca 0.29 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1wek h THR 144 Cb 0.44 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1wek h THR 144 CO -0.62 0.35 0.20 0.25 0.37 0.00 0.00 175.52 176.06 1wek h LEU 145 N 1.00 0.93 0.26 2.58 5.85 -0.43 -1.38 115.31 124.12 1wek h LEU 145 Ca 0.22 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1wek h LEU 145 Cb 0.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1wek h LEU 145 CO -0.00 0.90 -0.17 -0.78 -0.34 0.00 0.00 178.44 178.04 1wek h ASP 146 N 0.92 -0.43 -0.04 1.25 3.58 -0.57 0.71 116.42 121.84 1wek h ASP 146 Ca 0.21 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1wek h ASP 146 Cb 0.30 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1wek h ASP 146 CO -0.01 -0.27 -0.06 -0.08 -2.88 0.00 0.00 179.24 175.94 1wek h GLU 147 N -0.42 0.26 0.01 0.28 4.57 -1.21 -1.37 114.58 116.69 1wek h GLU 147 Ca -0.02 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1wek h GLU 147 Cb 0.36 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1wek h GLU 147 CO 0.01 0.34 -0.00 1.25 -1.18 0.00 0.00 179.01 179.43 1wek h LEU 148 N 0.25 -0.01 -0.68 1.64 6.46 -0.83 -2.32 115.31 119.82 1wek h LEU 148 Ca 0.06 -0.50 0.11 0.00 -0.12 0.00 0.00 57.88 57.42 1wek h LEU 148 Cb 0.28 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.13 1wek h LEU 148 CO 0.01 0.50 0.29 0.28 -0.62 0.00 0.00 178.44 178.90 1wek h SER 149 N -0.52 0.32 0.37 1.25 0.02 -0.64 -0.59 113.55 113.76 1wek h SER 149 Ca -0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1wek h SER 149 Cb 0.51 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1wek h SER 149 CO 0.00 0.17 -0.35 -0.33 -1.14 0.00 0.00 176.83 175.19 1wek h GLU 150 N 0.48 -0.71 -0.41 3.45 4.39 -1.22 -1.17 114.58 119.40 1wek h GLU 150 Ca 0.35 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.17 1wek h GLU 150 Cb 0.44 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 1wek h GLU 150 CO -0.32 -0.47 0.04 0.28 -1.16 0.00 0.00 179.01 177.38 1wek h VAL 151 N -0.73 0.74 -0.72 3.13 2.07 -0.93 -0.62 116.25 119.18 1wek h VAL 151 Ca -0.03 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1wek h VAL 151 Cb 0.65 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1wek h VAL 151 CO -0.05 0.03 0.45 -0.07 0.02 0.00 0.00 177.57 177.95 1wek h LEU 152 N 0.15 0.73 -0.74 2.57 3.38 -0.89 -1.07 115.31 119.46 1wek h LEU 152 Ca 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1wek h LEU 152 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wek h LEU 152 CO -0.30 0.50 -0.18 0.58 0.09 0.00 0.00 178.44 179.14 1wek h VAL 153 N 0.87 1.27 -0.55 1.22 2.07 -0.33 0.11 116.25 120.91 1wek h VAL 153 Ca 0.29 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1wek h VAL 153 Cb 0.03 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1wek h VAL 153 CO -0.12 0.43 -0.06 -0.07 0.02 0.00 0.00 177.57 177.77 1wek h LEU 154 N 0.69 1.01 0.06 2.57 3.38 -0.78 -0.09 115.31 122.15 1wek h LEU 154 Ca 0.10 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wek h LEU 154 Cb 0.68 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wek h LEU 154 CO 0.05 1.10 -0.03 -0.07 0.09 0.00 0.00 178.44 179.58 1wek h LEU 155 N 0.90 -0.07 -0.78 1.67 -0.00 -1.03 0.33 115.31 116.32 1wek h LEU 155 Ca 0.15 -0.45 0.11 0.00 -0.00 0.00 0.00 57.88 57.69 1wek h LEU 155 Cb 0.62 0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 41.22 1wek h LEU 155 CO 0.04 0.43 0.41 -0.61 -0.00 0.00 0.00 178.44 178.71 1wek h GLN 156 N -0.60 0.64 -0.01 1.13 4.15 -0.76 -2.31 115.11 117.35 1wek h GLN 156 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1wek h GLN 156 Cb 0.51 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1wek h GLN 156 CO 0.01 0.42 -0.16 2.41 -1.93 0.00 0.00 178.83 179.59 1wek n THR 157 N -4.83 0.00 -3.30 2.39 -1.04 -0.05 -4.96 114.28 102.48 1wek n THR 157 Ca 0.13 -0.10 -0.18 0.00 -2.04 0.00 0.00 64.05 61.86 1wek n THR 157 Cb 0.32 0.15 0.06 0.00 -1.82 0.00 0.00 70.33 69.04 1wek n THR 157 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wek n GLU 158 N -0.73 -5.95 0.00 -2.82 4.71 -0.24 -4.90 120.64 110.71 1wek n GLU 158 Ca 0.14 0.64 0.12 0.00 -0.01 0.00 0.00 57.16 58.05 1wek n GLU 158 Cb 0.31 -5.10 0.27 0.00 -1.01 0.00 0.00 31.44 25.90 1wek n GLU 158 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1wek n LYS 159 N -3.91 0.23 -3.76 3.49 5.02 0.10 -4.90 118.16 114.42 1wek n LYS 159 Ca 0.00 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1wek n LYS 159 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1wek n LYS 159 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wek s VAL 160 N -2.87 0.11 0.88 -0.18 0.11 -1.23 -5.05 120.40 112.17 1wek s VAL 160 Ca 0.14 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.20 1wek s VAL 160 Cb 0.18 -1.21 0.12 0.00 -1.53 0.00 0.00 36.38 33.94 1wek s VAL 160 CO 0.66 -0.49 1.16 -1.38 -3.33 0.00 0.00 175.10 171.72 1wek s HIS 161 N -3.63 1.70 0.40 1.54 -3.43 -1.26 -4.75 115.29 105.85 1wek s HIS 161 Ca 0.03 1.76 -0.17 0.00 -0.80 0.00 0.00 55.06 55.87 1wek s HIS 161 Cb 0.03 -3.38 -0.09 0.00 -1.43 0.00 0.00 32.58 27.71 1wek s HIS 161 CO -0.10 -2.80 0.85 -0.98 -2.00 0.00 0.00 174.74 169.71 1wek s ARG 162 N -4.50 4.06 -0.02 -0.38 1.04 -1.26 -4.94 118.95 112.95 1wek s ARG 162 Ca 0.68 0.86 -0.30 0.00 -1.04 0.00 0.00 55.73 55.94 1wek s ARG 162 Cb -0.24 -2.29 0.07 0.00 -2.04 0.00 0.00 34.95 30.44 1wek s ARG 162 CO 0.56 0.01 0.67 -0.59 -0.04 0.00 0.00 175.30 175.91 1wek s PHE 163 N -2.17 -0.64 0.55 5.89 -0.12 -1.26 -4.96 117.98 115.27 1wek s PHE 163 Ca 0.58 1.02 -0.20 0.00 -0.05 0.00 0.00 56.93 58.28 1wek s PHE 163 Cb -0.10 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1wek s PHE 163 CO 0.19 -0.64 1.24 -2.14 -0.05 0.00 0.00 175.22 173.82 1wek s PRO 164 N -1.51 3.16 -0.08 1.99 0.02 -1.26 -4.84 135.00 132.47 1wek s PRO 164 Ca -0.09 1.94 0.02 0.00 0.02 0.00 0.00 61.00 62.88 1wek s PRO 164 Cb -0.00 -2.11 0.02 0.00 0.02 0.00 0.00 34.50 32.42 1wek s PRO 164 CO 0.07 -1.08 -0.12 0.08 -0.33 0.00 0.00 177.00 175.62 1wek s VAL 165 N -1.49 1.17 -0.01 3.83 1.01 -1.26 -1.29 120.40 122.37 1wek s VAL 165 Ca 0.73 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1wek s VAL 165 Cb -0.33 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1wek s VAL 165 CO 0.38 0.37 -0.26 -0.36 0.00 0.00 0.00 175.10 175.23 1wek s PHE 166 N 0.95 2.28 -0.26 5.22 0.40 0.38 -1.83 117.98 125.11 1wek s PHE 166 Ca -0.09 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1wek s PHE 166 Cb -0.15 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.96 1wek s PHE 166 CO 0.00 -0.02 -0.07 -0.51 0.70 0.00 0.00 175.22 175.32 1wek s LEU 167 N -0.66 3.36 0.11 -0.37 1.43 -0.27 0.46 118.68 122.74 1wek s LEU 167 Ca 0.10 -1.08 -0.25 0.00 -1.03 0.00 0.00 54.13 51.87 1wek s LEU 167 Cb -0.10 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1wek s LEU 167 CO -0.01 -0.17 0.77 -0.76 0.23 0.00 0.00 176.35 176.41 1wek s LEU 168 N 1.25 4.53 0.00 1.79 1.02 -0.48 -0.89 118.68 125.90 1wek s LEU 168 Ca -0.03 1.56 0.00 0.00 0.02 0.00 0.00 54.13 55.68 1wek s LEU 168 Cb -0.18 -3.26 0.00 0.00 0.02 0.00 0.00 46.19 42.77 1wek s LEU 168 CO -0.04 0.13 0.00 -0.67 0.02 0.00 0.00 176.35 175.79 1wek n ASP 169 N 2.10 -1.57 -0.18 2.29 -0.08 -0.54 -4.35 116.55 114.22 1wek n ASP 169 Ca -0.04 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.34 1wek n ASP 169 Cb 0.49 -0.79 0.41 0.00 2.34 0.00 0.00 41.12 43.58 1wek n ASP 169 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1wek h ARG 170 N 0.00 0.60 0.40 -0.67 3.08 -1.83 -2.62 114.38 113.33 1wek h ARG 170 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1wek h ARG 170 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1wek h ARG 170 CO 0.00 0.40 -0.19 0.78 -1.07 0.00 0.00 179.97 179.89 1wek h GLY 171 N 0.62 -0.55 0.51 0.04 0.00 -1.97 -2.46 103.07 99.25 1wek h GLY 171 Ca 0.34 0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.96 1wek h GLY 171 CO -0.12 -0.20 0.27 -1.82 0.00 0.00 0.00 176.54 174.67 1wek h TYR 172 N -0.71 0.49 -0.00 5.60 3.20 -1.82 -2.24 116.97 121.49 1wek h TYR 172 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1wek h TYR 172 Cb 0.50 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1wek h TYR 172 CO -0.01 0.18 -0.02 0.91 -1.64 0.00 0.00 178.16 177.57 1wek n TRP 173 N -4.92 0.00 -0.18 -3.82 7.02 -1.09 -4.43 117.44 110.02 1wek n TRP 173 Ca 0.08 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.46 1wek n TRP 173 Cb 0.23 -0.08 -0.05 0.00 -2.42 0.00 0.00 31.31 28.99 1wek n TRP 173 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1wek h GLU 174 N 0.52 -0.27 -0.70 -0.99 4.57 -0.90 -1.87 114.58 114.95 1wek h GLU 174 Ca 0.00 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1wek h GLU 174 Cb 0.20 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 1wek h GLU 174 CO 0.00 -0.18 0.46 0.78 -1.18 0.00 0.00 179.01 178.89 1wek h GLY 175 N -0.28 0.88 0.58 1.92 0.00 -1.80 -2.75 103.07 101.63 1wek h GLY 175 Ca 0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1wek h GLY 175 CO -0.65 0.18 -0.30 -2.00 0.00 0.00 0.00 176.54 173.78 1wek h LEU 176 N 0.66 0.32 -1.35 3.11 7.12 -1.68 -2.89 115.31 120.60 1wek h LEU 176 Ca 0.31 -0.70 -0.06 0.00 0.13 0.00 0.00 57.88 57.55 1wek h LEU 176 Cb 0.36 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1wek h LEU 176 CO -0.10 0.97 -0.26 -0.37 -0.13 0.00 0.00 178.44 178.54 1wek h VAL 177 N -0.31 1.21 -0.21 1.05 -1.51 -1.24 0.19 116.25 115.44 1wek h VAL 177 Ca -0.03 -1.01 -0.18 0.00 -1.23 0.00 0.00 66.70 64.25 1wek h VAL 177 Cb 0.99 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1wek h VAL 177 CO 0.06 0.30 -0.58 0.03 -1.23 0.00 0.00 177.57 176.14 1wek h ARG 178 N 0.09 0.76 -0.90 5.19 3.08 -1.58 -0.09 114.38 120.93 1wek h ARG 178 Ca 0.01 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1wek h ARG 178 Cb 0.52 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1wek h ARG 178 CO 0.04 1.16 0.52 2.35 -1.07 0.00 0.00 179.97 182.97 1wek h TRP 179 N 0.50 1.21 -0.11 3.04 7.01 -1.18 0.21 115.95 126.62 1wek h TRP 179 Ca -0.01 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 1wek h TRP 179 Cb 1.20 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 1wek h TRP 179 CO 0.09 0.82 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.33 1wek h LEU 180 N 1.25 0.17 -0.69 0.65 3.38 -0.73 -0.26 115.31 119.08 1wek h LEU 180 Ca 0.32 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 1wek h LEU 180 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1wek h LEU 180 CO -0.06 0.34 -0.34 0.00 0.09 0.00 0.00 178.44 178.48 1wek h ALA 181 N 1.68 0.87 -0.52 1.53 0.00 0.74 -2.15 119.26 121.40 1wek h ALA 181 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1wek h ALA 181 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wek h ALA 181 CO 0.02 0.63 0.29 0.35 0.00 0.00 0.00 179.25 180.55 1wek h PHE 182 N 0.53 0.71 -0.71 0.00 3.57 0.99 -1.03 116.94 121.00 1wek h PHE 182 Ca 0.06 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1wek h PHE 182 Cb 0.84 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1wek h PHE 182 CO 0.04 0.52 0.42 -0.07 -2.23 0.00 0.00 178.31 176.99 1wek h LEU 183 N 0.70 0.66 -0.96 0.59 3.38 -0.72 0.41 115.31 119.36 1wek h LEU 183 Ca 0.18 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1wek h LEU 183 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1wek h LEU 183 CO -0.03 0.43 -0.18 -0.09 0.09 0.00 0.00 178.44 178.67 1wek h ARG 184 N 0.79 0.55 -0.60 1.13 2.43 -1.03 0.60 114.38 118.25 1wek h ARG 184 Ca 0.31 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1wek h ARG 184 Cb 0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1wek h ARG 184 CO -0.16 0.71 0.10 -0.44 -1.51 0.00 0.00 179.97 178.66 1wek h ASP 185 N 0.50 0.93 0.32 -3.80 3.32 0.22 -1.74 116.42 116.17 1wek h ASP 185 Ca 0.08 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1wek h ASP 185 Cb 0.59 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1wek h ASP 185 CO 0.04 0.93 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1wek n GLN 186 N -4.23 0.50 -1.11 3.56 1.13 0.13 -4.87 117.38 112.49 1wek n GLN 186 Ca 0.04 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1wek n GLN 186 Cb 0.28 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 1wek n GLN 186 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wek n LYS 187 N -1.19 -0.85 0.19 -1.09 4.01 -0.13 -4.84 118.16 114.26 1wek n LYS 187 Ca 0.14 0.48 0.14 0.00 -0.51 0.00 0.00 58.31 58.56 1wek n LYS 187 Cb 0.16 -4.27 0.48 0.00 -0.51 0.00 0.00 35.03 30.89 1wek n LYS 187 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wek h ALA 188 N 0.00 1.00 -2.58 7.82 0.00 -1.21 -3.44 119.26 120.85 1wek h ALA 188 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1wek h ALA 188 Cb 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.17 1wek h ALA 188 CO 0.12 0.00 -0.73 0.54 0.00 0.00 0.00 179.25 179.18 1wek s VAL 189 N -3.38 1.00 0.74 0.00 0.11 -1.23 -4.98 120.40 112.66 1wek s VAL 189 Ca 0.05 -1.77 -0.11 0.00 -2.93 0.00 0.00 61.98 57.21 1wek s VAL 189 Cb 0.09 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.46 1wek s VAL 189 CO 0.53 -0.62 1.08 -0.83 -3.33 0.00 0.00 175.10 171.93 1wek s GLY 190 N -2.67 1.64 0.53 6.54 0.00 -1.26 -4.65 107.32 107.44 1wek s GLY 190 Ca 0.09 -0.10 0.35 0.00 0.00 0.00 0.00 44.72 45.06 1wek s GLY 190 CO -0.00 0.27 1.79 -2.55 0.00 0.00 0.00 173.10 172.61 1wek h PRO 191 N -0.85 0.05 -0.11 2.90 0.11 -1.98 -2.31 132.00 129.80 1wek h PRO 191 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wek h PRO 191 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wek h PRO 191 CO 0.59 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 1wek n GLU 192 N -4.23 1.58 0.28 1.05 -0.58 -1.26 -4.73 120.64 112.74 1wek n GLU 192 Ca 0.26 -1.39 0.15 0.00 -0.42 0.00 0.00 57.16 55.76 1wek n GLU 192 Cb 1.23 -1.13 0.78 0.00 -0.57 0.00 0.00 31.44 31.75 1wek n GLU 192 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1wek h ASP 193 N 1.15 0.00 1.35 1.62 3.45 -1.78 -1.06 116.42 121.15 1wek h ASP 193 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1wek h ASP 193 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1wek h ASP 193 CO 0.00 0.09 0.00 0.18 -1.57 0.00 0.00 179.24 177.94 1wek n LEU 194 N -3.46 0.71 0.06 1.55 4.32 -1.26 -2.74 117.00 116.18 1wek n LEU 194 Ca -0.02 0.58 0.12 0.00 -0.02 0.00 0.00 56.01 56.67 1wek n LEU 194 Cb 0.23 -0.36 0.47 0.00 -1.62 0.00 0.00 43.42 42.14 1wek n LEU 194 CO 0.28 -0.20 0.88 0.00 -1.22 0.00 0.00 177.39 177.13 1wek n GLN 195 N -2.18 0.14 0.00 3.23 1.13 -0.40 -3.29 117.38 116.01 1wek n GLN 195 Ca 0.05 0.20 0.04 0.00 -1.94 0.00 0.00 57.00 55.35 1wek n GLN 195 Cb 0.40 -1.69 0.22 0.00 0.11 0.00 0.00 30.24 29.28 1wek n GLN 195 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wek n LEU 196 N -1.93 0.00 -3.98 1.08 4.32 -1.11 -4.76 117.00 110.62 1wek n LEU 196 Ca 0.05 0.27 -0.10 0.00 -0.02 0.00 0.00 56.01 56.22 1wek n LEU 196 Cb 0.33 -0.27 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 1wek n LEU 196 CO 0.25 -0.20 0.09 0.72 -1.22 0.00 0.00 177.39 177.03 1wek s PHE 197 N -2.55 0.41 -0.12 -1.77 -0.12 -1.21 -3.99 117.98 108.63 1wek s PHE 197 Ca 0.08 -0.76 -0.13 0.00 -0.05 0.00 0.00 56.93 56.08 1wek s PHE 197 Cb 0.06 0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1wek s PHE 197 CO 0.13 -0.87 0.35 -0.98 -0.05 0.00 0.00 175.22 173.80 1wek s ARG 198 N -4.00 0.44 0.33 1.99 1.70 -0.76 -4.99 118.95 113.65 1wek s ARG 198 Ca 0.21 0.41 -0.16 0.00 -0.47 0.00 0.00 55.73 55.72 1wek s ARG 198 Cb 0.01 0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.51 1wek s ARG 198 CO 0.06 -0.07 0.77 -0.51 -1.08 0.00 0.00 175.30 174.47 1wek s LEU 199 N 0.01 4.08 -0.08 -1.89 2.01 -1.26 -1.11 118.68 120.43 1wek s LEU 199 Ca -0.02 1.35 -0.24 0.00 0.01 0.00 0.00 54.13 55.24 1wek s LEU 199 Cb -0.03 -4.09 0.05 0.00 0.01 0.00 0.00 46.19 42.13 1wek s LEU 199 CO 0.01 -0.20 0.55 0.42 1.01 0.00 0.00 176.35 178.14 1wek s THR 200 N -1.96 0.02 -0.13 5.49 -4.23 -0.07 -4.87 115.64 109.88 1wek s THR 200 Ca 0.54 -0.13 0.21 0.00 -1.18 0.00 0.00 61.69 61.12 1wek s THR 200 Cb -0.11 -0.85 -0.17 0.00 1.34 0.00 0.00 72.50 72.71 1wek s THR 200 CO 0.17 -0.07 0.69 0.47 -0.54 0.00 0.00 174.62 175.34 1wek n ASP 201 N 1.47 0.47 -4.15 3.99 8.00 -1.26 -1.46 116.55 123.61 1wek n ASP 201 Ca -0.18 0.19 -0.20 0.00 0.71 0.00 0.00 54.79 55.31 1wek n ASP 201 Cb 0.56 0.97 -0.13 0.00 -0.02 0.00 0.00 41.12 42.50 1wek n ASP 201 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wek s GLU 202 N -3.22 0.96 0.25 -1.24 0.41 -1.26 -4.49 118.70 110.11 1wek s GLU 202 Ca -0.05 -0.76 -0.03 0.00 -0.41 0.00 0.00 54.97 53.73 1wek s GLU 202 Cb 0.10 -0.97 0.44 0.00 -1.78 0.00 0.00 34.13 31.92 1wek s GLU 202 CO 0.84 0.24 1.81 -1.35 -0.49 0.00 0.00 175.26 176.31 1wek h PRO 203 N 4.96 0.77 -0.95 0.39 0.11 -1.93 -2.19 132.00 133.15 1wek h PRO 203 Ca -0.38 -0.05 0.20 0.00 0.11 0.00 0.00 66.00 65.88 1wek h PRO 203 Cb 1.18 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.00 1wek h PRO 203 CO 0.44 0.51 0.53 1.49 -0.21 0.00 0.00 178.00 180.76 1wek h GLU 204 N 0.79 0.62 -0.50 1.05 4.57 -1.96 -0.61 114.58 118.55 1wek h GLU 204 Ca 0.42 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1wek h GLU 204 Cb 0.42 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1wek h GLU 204 CO -0.27 0.41 0.21 0.93 -1.18 0.00 0.00 179.01 179.11 1wek h GLU 205 N 0.64 0.74 -0.18 1.92 5.08 -1.82 -1.26 114.58 119.69 1wek h GLU 205 Ca 0.56 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1wek h GLU 205 Cb 0.93 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1wek h GLU 205 CO -0.42 0.65 0.11 0.28 -1.00 0.00 0.00 179.01 178.63 1wek h VAL 206 N 0.66 1.08 0.00 3.13 2.07 -1.17 0.37 116.25 122.38 1wek h VAL 206 Ca 0.17 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1wek h VAL 206 Cb 0.18 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1wek h VAL 206 CO -0.02 0.07 -0.10 0.58 0.02 0.00 0.00 177.57 178.13 1wek h VAL 207 N 0.22 0.97 0.28 2.57 2.07 -1.21 -0.22 116.25 120.93 1wek h VAL 207 Ca 0.07 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1wek h VAL 207 Cb 0.02 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1wek h VAL 207 CO -0.01 0.09 -0.13 -0.61 0.02 0.00 0.00 177.57 176.93 1wek h GLN 208 N 0.00 -0.36 0.00 1.57 -0.00 -0.23 -1.80 115.11 114.28 1wek h GLN 208 Ca -0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1wek h GLN 208 Cb 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 1wek h GLN 208 CO 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 178.83 178.74 1wek h ALA 209 N -0.30 1.71 0.05 3.38 0.00 -0.64 -2.69 119.26 120.76 1wek h ALA 209 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wek h ALA 209 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wek h ALA 209 CO 0.06 0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 1wek h LEU 210 N 0.00 -0.05 -1.16 0.00 3.38 -0.98 -2.99 115.31 113.51 1wek h LEU 210 Ca -0.00 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1wek h LEU 210 Cb 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wek h LEU 210 CO 0.01 0.45 0.64 0.11 0.09 0.00 0.00 178.44 179.74 1wek h LYS 211 N -0.58 0.00 -4.68 1.13 1.57 -0.97 -3.11 116.57 109.93 1wek h LYS 211 Ca -0.01 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 1wek h LYS 211 Cb 0.51 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.62 1wek h LYS 211 CO 0.01 0.00 0.52 0.00 -0.57 0.00 0.00 179.45 179.41 1wek s ALA 212 N -4.08 3.55 0.00 3.86 0.00 -1.13 -4.92 121.76 119.04 1wek s ALA 212 Ca -0.02 -2.79 0.00 0.00 0.00 0.00 0.00 51.96 49.15 1wek s ALA 212 Cb 0.06 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1wek s ALA 212 CO 0.18 -2.69 0.00 -0.85 0.00 0.00 0.00 175.76 172.40 1wek n GLU 213 N 5.89 0.00 -1.42 0.00 0.00 -1.18 -4.99 120.64 118.95 1wek n GLU 213 Ca 0.15 0.00 -0.54 0.00 0.00 0.00 0.00 57.16 56.76 1wek n GLU 213 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.85 1wek n GLU 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wek n ALA 214 N -3.00 -3.39 1.02 -1.84 0.00 -1.26 -5.21 120.51 106.83 1wek n ALA 214 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 53.44 54.07 1wek n ALA 214 Cb 0.00 -1.66 0.49 0.00 0.00 0.00 0.00 19.45 18.28 1wek n ALA 214 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20